Detailed Description of the Expected Error Ranges for SCHB Angles
Based on the Proton Coordinate Errors.
For the reason that the protons in this study were predicted by REDUCE, the
resulted coordinates may have errors. Here, how proton coordinate errors impact the
statistics of angles θ, ψ, φ and χ is discussed. Note that the impact of proton
coordinate errors on the accuracy of statistical H-bond angles is related with H-bond
geometry. Accordingly, the expected error range of angles would be distinct even for
the same magnitude of proton coordinate errors due to the difference in H-bond
geometry. Therefore, the statistical mean geometry of different SCHBs (see the last
rows in Table 2–7 in text) is served as the reference. Here, we assumed that the
prediction error for protons is isotropic, i.e. the potential error range of predicted
proton presents a spherically symmetric distribution with center of the proton location
in mean H-bond geometry, and radii of the proton coordinate error.
Taking the angle θ as an instance, as shown in Figure S1 (see below), pink cycle
represents the proton coordinate error range, green is the mean geometry of SCHB,
red is the geometry with maximum θmax, blue is the geometry with minimum θmin, and
the values of θmin and θmax can be solved by the approach of analytic geometry. Using
this approach, the expected error ranges of angles θ, ψ, φ and χ (anglemin–anglemax) for
six kinds of SCHBs based on the proton coordinate errors 0.1 Å, 0.2 Å, 0.3 Å, 0.4 Å
and 0.5 Å can be readily calculated and then listed in Table S1 (see below). As can be
seen, θ of the above-mentioned 4 kinds of angles is the most sensitive to proton
coordinate error; when the proton coordinate error is 0.5 Å, the expected error range
of θ spans about 40°. As a contrast, the span of the ψ expected error range is only
about 10°. Investigation on the expected error ranges of SCHB angles and comparison
of the magnitude of expected error ranges between different SCHB angles will
provide a straightforward insight into the confidence level and reliability of the
statistics of SCHB angles.
Y
D
θ max
n
θ me a
A
X
Hn
θ mi
A: H-bond acceptor
D: H-bond donor
H: hydrogen
Cycle: proton error range
Green: mean geometry
Red: the geometry where angle achieves the maximum θmax
Blue: the geometry where angle achieves the minimum θmin
Figure S1. A schematic diagram of the expected error range (θmin – θmax) for SCHB
angle θ based on the proton coordinate error.
Table S1. Expected error ranges of angles θ, ψ, φ and χ (anglemin – anglemax) for six
kinds of SCHBs based on the proton coordinate errors 0.1 Å, 0.2 Å, 0.3 Å, 0.4 Å and
0.5 Å.
SCHB
Angle
0.1 Å
0.2 Å
0.3 Å
0.4 Å
0.5 Å
133.4–149.1
129.7–153.2
126.0–157.3
122.4–161.6
ψ
137.2–145.1
118.0–120.0
117.0–121.0
116.0–122.0
115.0–123.0
114.0–124.0
φ
136.8–138.8
135.7–139.9
134.7–140.9
133.6–142.0
132.6–143.0
θ
133.3–139.8
130.1–143.1
127.0–146.5
124.0–150.0
121.0–153.5
ψ
116.3–118.5
115.1–119.7
114.0–120.8
112.8–122.0
111.7–123.1
θ
134.2–142.0
130.4–146.1
126.7–150.1
123.1–154.3
119.5–158.5
ψ
109.6–111.6
108.6–112.6
107.5–113.7
106.5–114.7
105.5–115.7
θ
138.8–146.7
134.9–150.7
131.2–154.9
127.4–159.1
123.8–163.3
ψ
109.1–111.3
108.1–112.3
107.0–113.4
105.9–114.5
104.8–115.6
θ
141.5–148.2
138.2–151.6
135.1–155.0
131.9–158.5
128.8–162.1
ψ
122.8–125.0
121.7–126.1
120.5–127.3
119.4–128.4
118.3–129.5
θ
Met←X
Cys→X
Cys←X
Hcys←X
Cys→S
Proton coordinate errors and corresponding expected error ranges for angles
Cys→π
θ
137.8–143.9
134.8–147.0
131.8–150.2
129.0–153.4
126.1–156.7
χ
43.9–45.9
42.9–46.9
41.9–47.9
40.9–48.9
39.9–49.9
HB_catcher v1.0 (Zhou et al. 2008)
Cysteine sulfur atoms served as H-bond acceptor (Cys←X).
<---DONOR--->
chain res
<--ACCEPTOR-->
res atom chain res res atom
num
bond_length bond_angle
num
d
D
θ
ψ
PDB
1
A GLU
192 N
--> A CYS
190 SG
| 3.11 3.59 111.4 116.8
E:\top500\1a2zAH
2
A ALA 193 N
--> A CYS
190 SG
| 2.38 3.29 151.7 153.5
E:\top500\1a2zAH
3
B THR 148 N
--> B CYS
147 SG
| 3.04 3.29 95.6 83.0
4
? ARG 138 NE
--> ? CYS 142 SG
| 2.42 3.35 155.8 124.7
E:\top500\1a8iH
5
? ARG 138 NH2
--> ? CYS
| 2.50 3.41 150.3 102.0
E:\top500\1a8iH
6
? THR 487 N
--> ? CYS 142 SG
| 2.55 3.45 149.0 92.0
7
? TRP 491 NE1
--> ? CYS 142 SG
| 2.84 3.60 133.1 161.9
E:\top500\1a8iH
8
A ASP
95 N
--> A CYS
93 SG
| 2.75 3.74 172.9 111.6
E:\top500\1a12AH
9
A GLU
200 N
--> A CYS
198 SG
| 2.62 3.61 170.4 116.1
E:\top500\1a12AH
142 SG
E:\top500\1a4iBH
E:\top500\1a8iH
10
A HIS 183 NE2
--> A CYS
247 SG
| 3.05 3.49 107.4 91.7
11
A HIS
305 NE2
--> A CYS
352 SG
| 3.14 3.42 97.7 86.8
12
? THR
113 OG1
--> ? CYS
80 SG
13
? ARG 255 NH1
--> ? CYS 186 SG
| 2.96 3.46 111.5 171.9
E:\top500\1adsH
14
? ASN
--> ? CYS
199 SG
| 2.86 3.85 168.2 148.8
E:\top500\1adsH
15
? GLN
68 N
--> ? CYS
57 SG
| 2.83 3.75 154.2 149.2
E:\top500\1akrH
16
? SER
20 N
--> ? CYS
18 SG
| 2.65 3.64 169.5 117.7
E:\top500\1ammH
17
? ASN
24 N
--> ? CYS
22 SG
| 2.74 3.64 149.8 108.5
E:\top500\1ammH
18
? ARG
85 N
--> ? CYS
84 SG
| 3.04 3.22 91.5 82.0
19
A VAL 289 N
--> A CYS
287 SG
| 2.81 3.80 171.2 98.6
E:\top500\1aquAH
20
A ASP
62 N
--> A CYS
56 SG
| 2.73 3.66 156.2 97.5
E:\top500\1b4vH
21
A HIS 447 N
--> A CYS
445 SG
| 3.02 3.50 111.0 108.8
E:\top500\1b4vH
22
A TYR
96 OH
23
? THR
233 OG1
24
? ASP 299 N
--> ? CYS 298 SG
| 3.17 3.37 92.5 81.4
25
? TYR
444 N
--> ? CYS
380 SG
| 3.11 3.68 117.3 172.1
26
? ARG 418 N
--> ? CYS
416 SG
| 3.20 3.76 117.6 86.6
E:\top500\1b6aH
27
? TRP 419 N
--> ? CYS 416 SG
| 2.82 3.68 145.5 108.6
E:\top500\1b6aH
28
? PHE 242 N
--> ? CYS
240 SG
| 2.90 3.90 174.8 112.2
E:\top500\1bfdH
29
? ASN
27 N
--> ? CYS
25 SG
| 2.61 3.55 156.2 101.9
E:\top500\1bfgH
30
? THR
89 N
--> ? CYS
92 SG
| 2.60 3.59 171.7 90.2
31
? TYR
22 OH
--> ? CYS
108 SG
| 2.64 3.46 138.9 170.7
E:\top500\1bgfH
32
A MET 337 N
--> A CYS 341 SG
| 2.83 3.81 167.2 80.5
E:\top500\1bi5H
33
A GLY 168 N
--> A CYS 166 SG
| 2.50 3.47 161.1 100.7
E:\top500\1bs0H
34
A ALA 260 N
--> A CYS 238 SG
| 2.78 3.69 150.5 99.4
E:\top500\1bw9AH
182 ND2
--> A CYS 148 SG
--> ? CYS
197 SG
E:\top500\1a12AH
E:\top500\1a12AH
| 3.07 3.89 140.3 99.4
E:\top500\1adsH
E:\top500\1aopH
| 2.96 3.20 94.9 118.9
E:\top500\1b5eAH
| 3.17 3.52 102.6 106.2
E:\top500\1b6aH
E:\top500\1b6aH
E:\top500\1b6aH
E:\top500\1bfgH
35
A ASN
273 ND2
--> A CYS 283 SG
36
? ASN
61 ND2
--> ? CYS
20 SG
| 2.97 3.28 98.9 107.2
E:\top500\1byiH
37
A HIS 132 N
--> A CYS
142 SG
| 2.69 3.65 161.8 90.8
E:\top500\1c3pH
38
A LYS
147 N
--> A CYS
145 SG
| 3.07 3.71 123.2 114.4
E:\top500\1cb0H
39
A THR
148 N
--> A CYS 145 SG
| 2.51 3.48 162.3 99.7
E:\top500\1cb0H
40
A THR
148 OG1
--> A CYS 145 SG
| 2.15 3.14 168.6 91.6
E:\top500\1cb0H
41
A GLY
76 SG
| 2.89 3.58 126.9 111.0
E:\top500\1ceqH
42
B GLY 194 N
--> B CYS 438 SG
| 2.86 3.41 115.2 104.5
43
B GLY 670 N
--> B CYS 669 SG
| 2.27 3.01 129.6 82.6
44
B ASP 700 N
--> B CYS
669 SG
| 2.51 3.49 167.3 105.7
45
A HIS 244 NE2
--> A CYS
286 SG
| 3.14 3.58 107.9 98.2
46
A THR
47
A HIS 146 NE2
--> A CYS
39 SG
48
A ILE
--> A CYS
179 SG
49
B LEU 123 N
50
A ILE
51
A ASN
128 N
--> A CYS 160 SG
| 2.64 3.62 166.1 98.7
E:\top500\1dbgH
52
A CYS 133 N
--> A CYS 165 SG
| 2.67 3.63 160.7 99.5
E:\top500\1dbgH
53
A CYS 165 N
--> A CYS 203 SG
| 2.68 3.66 166.3 100.6
54
A HIS 198 N
55
A GLN
240 N
--> A CYS 264 SG
| 2.55 3.52 163.5 100.5
E:\top500\1dbgH
56
A ALA 103 N
--> A CYS 101 SG
| 3.14 3.83 127.4 115.3
E:\top500\1dciAH
57
A LYS
160 N
--> A CYS
| 2.83 3.67 141.2 92.0
58
A TYR
447 OH
--> A CYS 460 SG
| 3.10 4.02 153.6 149.0
E:\top500\1dgfAH
59
A ASN
269 ND2
--> A CYS 273 SG
| 3.01 3.89 147.2 103.8
E:\top500\1dozH
60
D TRP 160 NE1
--> D CYS 164 SG
| 3.03 3.22 91.5 152.4
61
? ALA
29 N
--> ? CYS
35 SG
| 2.70 3.66 161.3 91.2
62
A LYS
38 NZ
--> A CYS
98 SG
| 1.96 2.85 146.5 103.0
E:\top500\1es5H
63
A ALA 241 N
--> A CYS 223 SG
| 2.61 3.59 166.1 116.2
E:\top500\1es5H
64
A TRP
--> A CYS
| 3.10 3.83 131.0 109.1
E:\top500\1evhABH
65
? LEU
149 N
66
A THR
45 N
--> A CYS
67
A THR
45 OG1
68
A TYR
60 N
69
A THR
70
46 N
327 OG1
181 N
101 N
80 NE1
--> A CYS
--> A CYS 325 SG
--> B CYS 121 SG
--> A CYS
--> A CYS
230 SG
158 SG
62 SG
| 2.92 3.40 110.2 150.1
| 2.76 3.69 153.6 98.1
| 2.46 3.44 163.6 106.7
| 2.56 3.54 167.1 97.3
| 2.65 3.60 159.2 101.6
E:\top500\1cf9BH
E:\top500\1cf9BH
E:\top500\1cf9BH
E:\top500\1cipH
E:\top500\1cipH
E:\top500\1cjwH
E:\top500\1cjwH
E:\top500\1cnzBH
E:\top500\1dbgH
E:\top500\1dbgH
E:\top500\1dbgH
E:\top500\1dciAH
E:\top500\1dpsDH
E:\top500\1ervH
E:\top500\1fdsH
50 SG
| 2.79 3.72 154.2 92.6
E:\top500\1ftrAH
--> A CYS
50 SG
| 2.48 3.40 151.6 125.3
E:\top500\1ftrAH
--> A CYS
58 SG
| 3.17 4.07 151.1 101.3
E:\top500\1ftrAH
--> A CYS 228 SG
| 2.40 3.30 148.6 155.1
E:\top500\1ftrAH
O SER 309 OG
--> O CYS 153 SG
| 2.96 3.60 122.4 133.9
E:\top500\1gd1OH
71
A GLU
--> A CYS 289 SG
| 3.10 3.72 121.1 91.6
E:\top500\1gsoH
72
A TRP 410 N
--> A CYS
413 SG
| 2.76 3.71 159.8 90.5
E:\top500\1gsoH
73
A LYS
--> A CYS
415 SG
| 2.56 3.49 154.0 153.4
E:\top500\1gsoH
74
L ARG 377 NE
--> L CYS 510 SG
| 2.40 3.22 139.3 91.0
E:\top500\1h2rLH
75
L LYS
512 N
--> L CYS
510 SG
| 2.64 3.60 162.0 89.4
76
L ASN
514 N
--> L CYS
510 SG
| 2.56 3.51 158.8 130.9
E:\top500\1h2rLH
77
S
98 SG
| 2.38 3.30 152.5 150.4
E:\top500\1h2rSH
78
? TYR
ASN
102 N
417 NZ
14 ND2
179 N
--> S
CYS
--> ? CYS
156 SG
| 2.59 3.38 136.3 136.7
E:\top500\1bxoH
| 2.72 3.55 140.8 109.7
223 OG1
--> ? CYS
133 SG
| 2.84 3.67 141.5 87.7
177 SG
| 3.01 3.82 138.8 112.2
E:\top500\1h2rLH
E:\top500\1hclH
79
? TRP 187 NE1
--> ? CYS
191 SG
| 3.18 3.44 96.5 149.3
80
? ALA 416 N
--> ? CYS
413 SG
| 2.47 3.39 153.0 108.7
E:\top500\1lamH
81
B LYS
110 N
--> B CYS
108 SG
| 2.56 3.45 148.0 115.3
E:\top500\1lucBH
82
B LYS
202 NZ
--> B CYS 289 SG
| 3.12 3.90 136.7 104.9
E:\top500\1lucBH
83
B ALA 292 N
--> B
CYS 290 SG
| 2.87 3.66 136.6 112.5
E:\top500\1lucBH
84
A ASN
133 ND2
--> A CYS 141 SG
| 2.53 3.49 160.7 91.3
E:\top500\1mgtH
85
? LEU
204 N
| 2.82 3.76 156.5 102.6
E:\top500\1mlaH
86
? ASN
375 N
--> ? CYS
374 SG
| 2.98 3.28 98.9 84.4
87
? VAL 376 N
--> ? CYS
374 SG
| 2.54 3.53 169.7 110.3
E:\top500\1moqH
88
? SER 379 OG
--> ? CYS
374 SG
| 3.12 3.42 98.4 124.9
E:\top500\1moqH
89
B ARG 163 NH2
--> B
67 SG
| 2.88 3.52 122.8 126.2
E:\top500\1mroBH
90
B
--> B CYS 392 SG
| 3.10 3.60 111.8 161.7
E:\top500\1mroBH
91
? ALA 1044 N
92
B GLY
93
B ARG 216 NH2
94
? SER 158 OG
--> ? CYS
160 SG
| 3.05 3.28 94.2 84.7
95
? TYR
165 N
--> ? CYS
172 SG
| 2.68 3.50 139.9 122.6
E:\top500\1oaaH
96
? ASN
204 ND2
--> ? CYS
235 SG
| 3.04 3.80 133.8 148.4
E:\top500\1oaaH
97
A MET 107 N
--> A CYS
98 SG
| 3.02 3.84 139.8 145.4
E:\top500\1phnAH
98
A ASP 216 N
--> A CYS
214 SG
| 2.60 3.54 157.6 109.1
E:\top500\1qb7H
99
B
--> B CYS 2254 SG
GLN
--> ? CYS
244 NE2
202 SG
CYS
--> ? CYS 1042 SG
63 N
CYS 2254 N
--> B CYS
--> B
E:\top500\1hclH
E:\top500\1moqH
| 2.72 3.64 153.1 100.3
61 SG
CYS 228 SG
E:\top500\1mskH
| 2.39 3.37 165.9 107.0
E:\top500\1nzyBH
| 2.96 3.42 109.0 88.9
E:\top500\1nzyBH
E:\top500\1oaaH
| 3.00 3.29 98.2 102.8
E:\top500\1qd1BH
100
A LEU 138 N
--> A CYS
61 SG
| 2.38 3.35 163.3 111.8
E:\top500\1qe3H
101
A LYS
389 NZ
--> A CYS 343 SG
| 3.09 3.52 107.0 149.9
E:\top500\1qfmH
102
A LYS
389 NZ
--> A CYS 343 SG
| 3.01 3.52 112.6 120.3
E:\top500\1qfmH
103
A LYS
523 NZ
--> A CYS 526 SG
| 2.41 3.38 162.2 102.7
E:\top500\1qfmH
104
A GLN
531 NE2
--> A CYS 563 SG
| 2.66 3.63 165.5 94.1
E:\top500\1qfmH
105
A SER
285 N
--> A CYS 283 SG
| 2.54 3.50 159.8 101.5
E:\top500\1qh4AH
106
A SER
285 OG
--> A CYS 283 SG
| 2.15 3.03 146.1 106.7
E:\top500\1qh4AH
107
A THR 107 OG1
--> A CYS
116 SG
| 2.43 3.43 171.8 116.2
E:\top500\1qh5AH
108
A ARG 249 NH1
--> A CYS 141 SG
| 2.92 3.86 158.5 120.6
E:\top500\1qh5AH
109
A VAL 138 N
--> A CYS 171 SG
| 2.90 3.68 136.0 116.1
E:\top500\1qh5AH
110
A SER
151 N
--> A CYS 182 SG
| 3.19 3.57 104.0 124.8
E:\top500\1qh8AH
111
B TYR
11 N
--> B
10 SG
| 2.52 3.24 128.8 82.0
E:\top500\1qh8BH
112
A GLY
83 N
--> A CYS 204 SG
| 2.68 3.34 123.7 94.3
E:\top500\1qk5AH
113
? GLY 209 N
114
A ARG 165 N
--> A CYS 148 SG
| 2.74 3.68 157.7 113.1
E:\top500\1qreH
115
A GLN
--> A CYS
| 3.10 3.91 139.1 107.5
E:\top500\1qrrH
116
A ARG 349 NH1
117
? GLN
63 N
--> ? CYS
118
B ARG
63 N
--> B
119 1
LYS
209 NE2
218 N
--> ?
CYS
CYS
58 SG
13 SG
--> A CYS 351 SG
--> 1
CYS
54 SG
62 SG
CYS 217 SG
| 2.70 3.54 142.3 117.9
| 2.74 3.46 129.1 99.7
E:\top500\1qnfH
E:\top500\1qs1AH
| 3.03 3.92 148.9 159.5
E:\top500\1rcfH
| 3.17 3.34 91.3 81.0
E:\top500\1tc1BH
| 3.19 3.38 92.4 82.2
E:\top500\1tph1H
120
? LEU 184 N
--> ? CYS 267 SG
| 2.69 3.68 172.2 126.0
E:\top500\1tyvH
121
? CYS 267 N
--> ? CYS 287 SG
| 2.58 3.57 170.8 107.3
E:\top500\1tyvH
122
? VAL 270 N
--> ? CYS 290 SG
| 2.56 3.54 165.6 108.6
E:\top500\1tyvH
123
? ALA 436 N
--> ?
CYS 458 SG
| 2.79 3.66 145.8 103.3
E:\top500\1tyvH
124
? THR 467 OG1
--> ? CYS 496 SG
| 2.52 3.50 167.1 122.4
E:\top500\1tyvH
125
? SER
470 N
--> ? CYS 496 SG
| 2.78 3.71 154.5 93.2
126
? GLY 615 N
--> ? CYS 613 SG
| 2.59 3.49 150.2 111.3
127
C LYS
383 NZ
--> C
128
? GLY
96 N
--> ? CYS
95 SG
| 3.07 3.31 94.8 83.7
129
? PHE 170 N
--> ? CYS
95 SG
| 2.76 3.65 149.5 87.2
130
? ARG
131
A VAL 187 N
66 NH1
--> ?
CYS 555 SG
CYS
E:\top500\1tyvH
E:\top500\1tyvH
| 2.87 3.24 102.9 109.7
E:\top500\1ubpH
E:\top500\1uchH
E:\top500\1uchH
113 SG
| 3.06 3.47 105.7 144.9
E:\top500\1uxyH
--> A CYS 185 SG
| 3.16 3.91 133.6 110.8
E:\top500\1vfrAH
132 I SER
537 OG
--> I CYS 333 SG
| 3.12 3.31 91.7 98.4
133 I TYR
461 N
--> I CYS
| 2.77 3.59 139.6 96.9
355 SG
E:\top500\1yveIH
E:\top500\1yveIH
134
C THR 191 N
--> C
CYS 194 SG
| 2.93 3.83 150.4 88.2
135
B GLY
--> B
CYS
| 3.10 3.75 123.8 105.2
136
A THR 357 N
--> A CYS 356 SG
| 3.01 3.31 98.7 82.3
E:\top500\2bopAH
137
? THR
119 OG1
--> ? CYS
115 SG
| 2.63 3.56 156.1 105.6
E:\top500\2cplH
138
? GLN
317 NE2
--> ? CYS
85 SG
139
? GLN
132 NE2
--> ? CYS 136 SG
| 2.78 3.50 129.6 152.0
140
A ASN 146 N
--> A CYS 145 SG
| 3.12 3.28 90.2 81.5
141
A ARG 359 NH1
142
? GLY
15 N
--> ? CYS
13 SG
| 2.87 3.87 176.1 96.6
E:\top500\2rn2H
143
? CYS
78 N
--> ? CYS
77 SG
| 3.02 3.38 102.8 81.1
E:\top500\2tgiH
144
A TYR 149 N
--> A CYS
145
? ASN 243 ND2
--> ? CYS 225 SG
| 2.62 3.61 169.4 91.7
E:\top500\3silH
146
? MET
41 N
--> ?
| 2.45 3.41 162.7 96.3
E:\top500\3silH
147
A HIS
202 N
--> A CYS 200 SG
| 2.69 3.60 151.5 107.4
E:\top500\4eugH
148
? PHE 260 N
--> ? CYS 306 SG
| 2.76 3.69 155.4 103.7
E:\top500\4xisH
149
? GLU
62 N
--> ?
150
A LYS
100 NZ
151
A THR 207 OG1
55 N
66 SG
| 3.17 3.36 92.4 94.8
--> A CYS 354 SG
9 SG
CYS 344 SG
E:\top500\2ahjCH
E:\top500\2arcBH
E:\top500\2cppH
| 3.18 3.55 103.4 132.4
| 3.13 3.86 130.7 122.2
E:\top500\2cppH
E:\top500\2nacAH
E:\top500\2nacAH
E:\top500\3btoAH
CYS
53 SG
| 2.43 3.42 172.8 139.6
E:\top500\5nulH
--> A CYS
11 SG
| 3.00 3.33 100.9 107.0
E:\top500\7fd1H
--> A CYS 202 SG
| 3.10 3.59 111.8 116.8
E:\top500\7odcH
HB_catcher v1.0 (Zhou et al. 2008)
Cysteine sulfur atoms served as H-bond donor that interacts with π-electronic acceptor (Cys→π).
<---DONOR--->
chain res
<-ACCEPTOR-->
res atom chain res res
num
bond_length bond_angle
num
d
D
θ
ψ
PDB
1
A CYS
247 SG
--> A HIS
183 | 3.03 4.22 151.5 38.4
E:\top500\1a12AH
2
A CYS
352 SG
--> A HIS
305 | 2.83 4.03 152.0 52.8
E:\top500\1a12AH
3
? CYS
80 SG
--> ? TRP
79 | 2.65 3.89 124.3 46.7
E:\top500\1adsH
4
? CYS 102 SG
--> ? PHE 101 | 3.02 4.14 144.2 48.2
E:\top500\1akrH
5
? CYS 203 SG
--> ? TYR
E:\top500\1b6aH
6
? CYS 263 SG
--> ? HIS
7
? CYS 380 SG
--> ? TYR
182 | 3.25 4.37 144.1 37.4
460 | 3.21 4.36 147.2 54.4
383 | 2.94 4.24 176.7 44.0
E:\top500\1b6aH
E:\top500\1b6aH
8
? CYS 416 SG
--> ? TRP 419 | 2.64 3.64 131.6 32.8
9
B CYS
--> B TYR
133 SG
E:\top500\1b6aH
158 | 2.71 3.95 159.3 36.7
10
B CYS
37 SG
--> B TYR
11
?
CYS
18 SG
--> ? PHE
14 | 2.97 3.82 121.7 40.4
E:\top500\1bgcH
12
? CYS
108 SG
--> ? TYR
22 | 2.91 4.09 150.3 34.0
E:\top500\1bgfH
13
A CYS
78 SG
--> A HIS
79 | 2.74 3.82 139.4 51.6
E:\top500\1c24H
14
A CYS 131 SG
--> A TRP
79 | 3.05 4.23 137.3 49.3
E:\top500\1cb0H
15
? CYS
--> ? PHE 216 | 2.88 3.92 135.9 45.4
E:\top500\1cemH
16
A CYS 286 SG
--> A TYR
17
A CYS
77 SG
--> A HIS
18
D CYS
164 SG
--> D TRP 160 | 2.68 3.78 140.7 37.5
19
? CYS
137 SG
--> ? TRP
20
A CYS 311 SG
--> A PHE
21
? CYS
118 SG
--> ? PHE 146 | 2.36 3.43 137.7 56.3
E:\top500\1hclH
22
? CYS
191 SG
--> ? TRP 187 | 3.08 4.05 131.2 46.6
E:\top500\1hclH
23
L CYS 200 SG
--> S
HIS
89 | 2.99 4.26 166.6 47.3
E:\top500\1hfeSLH
24
? CYS
57 SG
--> ? TYR
35 | 3.25 4.17 128.0 52.0
E:\top500\1lclH
25
? CYS
246 SG
--> ? PHE 242 | 3.00 3.98 131.3 34.2
E:\top500\1narH
26
? CYS
160 SG
--> ? TYR
165 | 2.63 3.89 162.6 41.6
E:\top500\1oaaH
27
? CYS
295 SG
--> ? PHE 358 | 2.87 3.93 137.6 50.5
E:\top500\1pmiH
28
B CYS 2007 SG
--> B PHE 2093 | 3.02 4.24 155.4 34.1
E:\top500\1qd1BH
29
A CYS 254 SG
--> A PHE 250 | 2.71 3.60 124.1 39.0
E:\top500\1qh4AH
30
A CYS 141 SG
--> A PHE 224 | 2.32 3.52 151.2 33.0
E:\top500\1qh5AH
31
A CYS
38 SG
--> A HIS
37 | 2.78 4.01 157.2 56.4
E:\top500\1qk5AH
32
? CYS
58 SG
--> ? TYR
54 | 3.17 4.00 120.9 57.5
E:\top500\1qnfH
33
? CYS
351 SG
--> ? TYR
421 | 3.19 4.33 146.2 39.5
E:\top500\1qnfH
34
A CYS
29 SG
89 | 2.60 3.60 131.5 54.4
E:\top500\1qrrH
35
G CYS
210 SG
36
A CYS
56 SG
37
240 SG
--> A PHE
33 | 2.72 3.66 127.3 51.9
E:\top500\1behBH
287 | 2.63 3.79 147.4 34.5
112 | 2.63 3.70 138.4 58.2
58 | 2.96 3.86 125.3 41.3
92 | 2.96 4.13 150.3 52.0
E:\top500\1bf6BH
E:\top500\1cipH
E:\top500\1cjwH
E:\top500\1dpsDH
E:\top500\1fncH
E:\top500\1gsoH
--> G PHE 251 | 2.66 3.86 152.7 33.1
E:\top500\1qsgGH
--> A PHE
52 | 2.87 3.77 125.0 37.1
E:\top500\1qtwH
A CYS 177 SG
--> A HIS 216 | 2.67 3.69 133.4 58.1
E:\top500\1qtwH
38
A CYS 153 SG
--> A TYR
149 | 2.92 4.06 145.7 50.6
39
? CYS
50 SG
--> ? TRP
29 | 2.67 3.78 136.4 50.7
E:\top500\1uchH
40
? CYS
211 SG
--> ? PHE 207 | 2.76 3.89 145.1 53.2
E:\top500\1uxyH
41
A CYS 139 SG
--> A TYR
42
B CYS 170 SG
--> B PHE 166 | 2.98 3.86 123.8 42.0
E:\top500\1yacBH
43
A CYS 164 SG
--> A PHE 227 | 2.80 3.72 126.6 38.2
E:\top500\1ytbAH
44
? CYS
223 SG
--> ? TYR
219 | 2.70 3.77 138.6 32.9
E:\top500\2baaH
45
? CYS
171 SG
--> ? TYR
167 | 2.98 4.04 138.1 46.9
E:\top500\2myrH
46
A CYS 182 SG
--> A TRP 171 | 3.26 4.44 151.1 51.9
E:\top500\2nacAH
47
A CYS
--> A TYR
E:\top500\2spcAH
48
A CYS 200 SG
--> A HIS 202 | 2.63 3.73 140.3 35.2
49
A CYS
--> A TYR
50
A CYS 459 SG
--> A TRP 385 | 3.13 4.21 139.6 46.6
E:\top500\8rucAIH
51
A CYS 459 SG
--> A TRP 385 | 2.96 4.12 139.6 58.4
E:\top500\8rucAIH
11 SG
70 SG
57 | 3.17 4.37 152.6 33.3
7 | 2.75 3.69 127.8 48.8
389 | 2.90 3.97 138.5 41.2
E:\top500\1toaAH
E:\top500\1vsrH
E:\top500\4eugH
E:\top500\7odcH
HB_catcher v1.0 (Zhou et al. 2008)
Cysteine sulfur atoms served as H-bond acceptor (Cys←X).
<---DONOR--->
chain res
<-ACCEPTOR-->
res atom chain res res atom
num
bond_length bond_angle
num
1
A CYS
143 SG
--> A HIS
2
B CYS
143 SG
3
B CYS
147 SG
4
? CYS 445 SG
5
d
167 NE2
D
θ
ψ
PDB
| 2.54 3.46 125.3 133.3
E:\top500\1a2zAH
--> B ASP 139 O
| 2.12 3.19 136.3 106.1
E:\top500\1a4iBH
--> B CYS
| 2.77 3.18 96.3 130.8
E:\top500\1a4iBH
--> ? MET 441 O
| 2.30 3.40 140.5 134.6
E:\top500\1a8iH
? CYS 580 SG
--> ? GLN
576 O
| 2.35 3.47 142.3 118.6
E:\top500\1a8iH
6
? CYS 783 SG
--> ? PHE 709 O
| 2.79 3.66 122.9 103.6
E:\top500\1a8iH
7
A CYS
228 SG
--> A VAL 229 N
| 2.67 3.40 113.6 93.2
8
A CYS
228 SG
--> A VAL 229 O
| 2.10 3.39 171.9 107.2
E:\top500\1a12AH
9
A CYS
247 SG
--> A HIS
| 2.28 3.49 153.3 121.4
E:\top500\1a12AH
147 N
183 NE2
E:\top500\1a12AH
10
A CYS 352 SG
--> A HIS 305 NE2
| 2.23 3.42 149.6 109.6
E:\top500\1a12AH
11
B CYS
798 SG
--> B PHE 794 O
| 2.61 3.51 124.9 123.5
E:\top500\1a28BH
12
B CYS 798 SG
--> B CYS 798 N
| 2.99 3.32 93.0 118.3
13
B CYS 820 SG
--> B GLU
851 O
| 2.50 3.74 160.0 85.6 E:\top500\1a28BH
14
A CYS
94 SG
--> A PRO
86 O
15
A CYS
112 SG
--> A ARG 122 NH2
16
? CYS
92 SG
--> ? CYS
92 O
| 2.70 3.55 120.8 83.3
E:\top500\1adsH
17
? CYS
186 SG
--> ? THR
191 O
| 2.52 3.55 133.7 91.2
E:\top500\1adsH
18
? CYS
199 SG
--> ? ASN
182 ND2
| 2.97 3.85 123.5 101.8
E:\top500\1adsH
19
A CYS
82 SG
78 O
| 2.28 3.24 127.5 139.6
E:\top500\1ajsAH
20
A CYS 191 SG
--> A CYS 191 N
| 2.97 3.33 94.2 103.3
E:\top500\1ajsAH
21
A CYS 191 SG
--> A CYS 191 O
| 2.83 3.48 108.9 82.1
E:\top500\1ajsAH
22
? CYS
177 SG
--> ? GLU
| 2.63 3.42 116.9 115.1
E:\top500\1akoH
23
? CYS
240 SG
--> ? PRO 236 O
| 2.30 3.59 173.9 166.3
E:\top500\1akoH
24
? CYS
241 SG
--> ? GLU
243 O
| 2.67 3.67 131.4 111.3
E:\top500\1akoH
25
? CYS
241 SG
--> ? THR
265 O
| 2.94 3.89 129.4 133.7
E:\top500\1akoH
26
? CYS
57 SG
--> ? SER
58 N
| 2.85 3.60 115.2 94.5
27
? CYS
57 SG
--> ? SER
58 O
| 2.22 3.52 178.7 129.7
E:\top500\1akrH
28
? CYS
90 SG
--> ? GLU
109 N
| 2.91 4.20 171.0 89.6
E:\top500\1akrH
29
? CYS
109 SG
--> ? SER
111 N
| 2.86 4.04 150.3 127.3
E:\top500\1ammH
30
? CYS
84 SG
--> ? ARG
85 N
| 2.53 3.22 110.4 103.4
E:\top500\1aopH
31
? CYS
84 SG
--> ? ARG
85 O
| 1.99 3.27 167.4 106.8
E:\top500\1aopH
32
A CYS 123 SG
--> A ARG
37 O
| 2.26 3.36 139.9 151.0
E:\top500\1aquAH
33
A CYS
16 SG
--> A GLN
98 OE1
| 2.31 3.60 174.7 101.7
E:\top500\1auoAH
34
? CYS
203 SG
--> ? ALA 156 O
| 2.93 4.08 145.8 110.4
35
? CYS
247 SG
--> ? CYS
247 N
| 2.91 3.28 94.3 90.1
36
? CYS
320 SG
--> ? TYR
301 N
| 2.80 3.92 143.6 86.3
--> A GLU
183 OE2
E:\top500\1a28BH
| 2.72 3.82 141.0 124.4
E:\top500\1a73AH
| 2.56 3.79 158.0 93.2
E:\top500\1a73AH
E:\top500\1akrH
E:\top500\1axnH
E:\top500\1axnH
E:\top500\1axnH
37
B CYS
40 SG
--> B ALA
36 O
| 2.34 3.43 139.0 137.7
E:\top500\1ay7BH
38
B CYS
82 SG
--> B LEU
41 O
| 2.80 3.82 134.9 137.6
E:\top500\1ay7BH
39
? CYS
175 SG
40
A CYS
51 SG
--> A THR
47 O
| 2.26 3.31 135.5 129.1
41
A CYS
56 SG
--> A CYS
56 O
| 2.84 3.44 106.3 83.0
42
A CYS 282 SG
--> A TYR
284 O
43
A CYS 445 SG
--> A PRO 320 O
| 2.84 3.91 138.4 97.7
44
A CYS 445 SG
--> A HIS 447 N
| 2.95 3.50 104.1 138.1
E:\top500\1b4vH
45
A CYS
112 SG
--> A CYS
112 O
| 2.51 3.42 124.8 82.6
E:\top500\1b5eAH
46
? CYS
197 SG
--> ? THR
221 O
| 2.91 3.73 119.9 144.6
E:\top500\1b6aH
47
? CYS
197 SG
--> ? THR
233 OG1
| 2.23 3.52 171.0 142.2
E:\top500\1b6aH
48
? CYS
248 SG
--> ? CYS
223 O
| 2.32 3.61 170.5 96.0
E:\top500\1b6aH
49
? CYS
263 SG
--> ? GLU
459 O
| 2.93 3.32 95.6 133.6
E:\top500\1b6aH
50
? CYS
263 SG
--> ? HIS
460 ND1
| 2.32 3.57 159.0 134.2
E:\top500\1b6aH
51
? CYS
263 SG
--> ? SER
473 OG
| 2.74 3.73 131.4 91.2
E:\top500\1b6aH
52
? CYS
290 SG
--> ? THR
286 O
| 2.21 3.26 134.8 127.6
E:\top500\1b6aH
53
? CYS
298 SG
--> ? ASP 299 N
| 2.71 3.37 109.5 107.4
E:\top500\1b6aH
54
? CYS
380 SG
--> ? HIS
| 2.77 3.34 104.4 134.0
E:\top500\1b6aH
55
? CYS
416 SG
--> ? CYS
416 N
| 2.83 3.23 95.7 127.0
E:\top500\1b6aH
56
? CYS
436 SG
--> ? LEU
432 O
| 2.33 3.45 141.2 125.8
E:\top500\1b6aH
57
? CYS
468 SG
--> ? GLU
134 OE2
| 2.79 3.81 133.3 94.5
E:\top500\1b6aH
58
? CYS
278 SG
--> ? PRO 279 N
| 2.92 3.59 110.7 95.0
E:\top500\1b6gH
59
? CYS
278 SG
--> ? PRO 279 O
| 2.29 3.57 170.1 135.1
60
A CYS 231 SG
--> A VAL 227 O
| 2.32 3.45 143.4 120.5
E:\top500\1b8oH
61
A CYS 105 SG
--> A LEU 101 O
| 2.42 3.53 141.5 138.3
E:\top500\1babBH
62
A CYS 315 SG
--> A ILE
63
A CYS 358 SG
--> A TYR
354 O
64
B CYS
59 SG
--> B GLU
65
B CYS
80 SG
--> B
66
--> ? GLY 172 O
382 O
282 O
| 1.91 3.16 159.5 136.9
E:\top500\1aylH
E:\top500\1b0uH
E:\top500\1b4vH
| 2.24 3.42 148.6 96.1 E:\top500\1b4vH
E:\top500\1b4vH
E:\top500\1b6gH
| 2.27 3.47 150.6 135.8
E:\top500\1bd0AH
| 2.23 3.45 155.1 152.2
E:\top500\1bd0AH
55 O
| 2.27 3.51 158.3 137.6
E:\top500\1bdmBH
ALA 124 O
| 1.98 3.12 143.6 120.4
E:\top500\1bf6BH
B CYS 187 SG
--> B VAL 184 O
| 2.12 3.38 160.2 124.1
E:\top500\1bf6BH
67
? CYS
49 SG
--> ? SER
| 2.20 3.47 165.3 143.4
E:\top500\1bfdH
68
? CYS
220 SG
--> ? ALA 216 O
| 2.36 3.45 138.5 121.2
E:\top500\1bfdH
69
? CYS
248 SG
--> ? ALA 224 O
| 2.89 4.03 146.4 85.7
70
? CYS
25 SG
--> ? ALA 136 O
| 2.65 3.41 115.1 134.3
E:\top500\1bfgH
71
? CYS
92 SG
--> ? SER
87 O
| 2.97 3.89 127.2 122.7
E:\top500\1bfgH
72
? CYS
7 SG
--> ? CYS
7O
73
? CYS
294 SG
--> ? GLY 291 O
| 2.22 3.29 136.8 176.5
74
? CYS
301 SG
--> ? GLY
90 O
| 2.55 3.80 159.0 85.2
E:\top500\1bg2H
75
? CYS
142 SG
--> ? ASN
14 O
| 2.23 3.47 158.2 94.2
E:\top500\1bg6H
76
? CYS
163 SG
--> ? PRO 165 O
| 2.24 3.54 174.5 118.9
77
? CYS
213 SG
--> ? CYS
| 2.99 3.33 93.2 102.1
78
A CYS
84 SG
--> A LEU
77 O
| 2.38 3.53 145.0 122.1
E:\top500\1bi5H
79
A CYS
84 SG
--> A ASN
80 O
| 2.97 3.82 121.6 108.7
E:\top500\1bi5H
80
A CYS 130 SG
436 OG
213 N
--> A ALA 166 O
| 2.47 3.13 108.4 92.9
E:\top500\1bfdH
E:\top500\1bg2H
E:\top500\1bg2H
E:\top500\1bg6H
E:\top500\1bg6H
| 2.99 4.27 168.1 93.5 E:\top500\1bi5H
81
A CYS 190 SG
--> A SER 339 O
| 2.96 4.05 140.5 103.3
E:\top500\1bi5H
82
A CYS 341 SG
--> A GLY 335 O
| 2.70 3.79 140.0 147.8
E:\top500\1bi5H
83
? CYS
104 SG
--> ? ARG
87 O
| 2.34 3.30 127.7 106.9
E:\top500\1bk0H
84
? CYS
30 SG
--> ? GLU
28 O
| 1.96 3.26 178.3 117.5
E:\top500\1bkbH
85
? CYS
30 SG
--> ? CYS
30 N
| 2.77 3.13 93.4 82.0
86
A CYS
115 SG
--> A ILE
30 O
| 2.32 3.55 156.5 126.7
87
A CYS 156 SG
--> A TYR
69 O
88
A CYS 166 SG
--> A GLN
169 O
89
A CYS 317 SG
--> A CYS 317 O
| 2.14 3.00 119.2 113.1
90
A CYS
28 SG
--> A LYS
27 O
| 2.38 3.44 136.8 90.6
E:\top500\1btkAH
91
A CYS
62 SG
--> A ILE
58 O
| 2.35 3.40 135.2 125.8
E:\top500\1bu7AH
92
A CYS 156 SG
--> A THR
152 O
93
A CYS 103 SG
--> A CYS 103 N
| 2.87 3.26 95.2 98.5
94
A CYS 238 SG
--> A ALA 236 O
| 2.36 3.61 160.3 102.4
E:\top500\1bw9AH
95
A CYS 254 SG
--> A VAL 256 O
| 2.55 3.58 133.6 116.1
E:\top500\1bw9AH
96
A CYS
--> A ALA 140 O
| 1.99 3.07 137.3 120.7
E:\top500\1bx4H
97
A CYS 319 SG
--> A LYS
| 2.94 3.97 134.6 102.0
E:\top500\1bx4H
98
A CYS 319 SG
--> A PRO 315 O
99
? CYS
--> ? THR
89 SG
20 SG
LYS
E:\top500\1bkbH
E:\top500\1bkjAH
| 2.08 3.34 163.8 96.5 E:\top500\1bkjAH
| 2.90 4.07 148.9 91.4 E:\top500\1bs0H
E:\top500\1bs0H
| 2.30 3.39 138.9 133.3
314 O
E:\top500\1bu7AH
E:\top500\1bu8H
| 2.31 3.51 152.7 114.4
E:\top500\1bx4H
16 O
| 2.27 3.33 136.5 131.8
E:\top500\1byiH
148 O
| 2.30 3.21 123.9 132.1
E:\top500\1byiH
100
? CYS 151 SG
--> ?
101
A CYS
42 SG
--> A ASN
40 O
| 2.24 3.47 156.1 136.3 E:\top500\1c1kH
102
A CYS
215 SG
--> A THR
211 O
| 2.21 3.37 146.9 132.4 E:\top500\1c1kH
103
A CYS
82 SG
--> A ILE
78 O
104
A CYS
75 SG
--> A GLU
105
A CYS
142 SG
--> A GLY 140 O
| 2.38 3.65 163.4 124.9 E:\top500\1c3pH
106
A CYS
142 SG
--> A CYS 142 N
| 2.80 3.14 92.5 99.3 E:\top500\1c3pH
107
A CYS
172 SG
--> A CYS 172 O
| 2.77 3.16 95.0 89.6 E:\top500\1c3pH
108
A CYS
45 SG
--> A LEU
41 O
| 2.35 3.41 135.7 126.8 E:\top500\1c24H
109
A CYS
70 SG
--> A TYR
65 OH
| 2.33 3.53 152.0 80.4 E:\top500\1c24H
110
A CYS 126 SG
--> A GLY 122 O
| 2.25 3.32 137.7 136.5 E:\top500\1c24H
111
A CYS
55 SG
--> A VAL
| 2.38 3.68 176.6 117.2
112
A CYS 136 SG
--> A GLU
207 OE2
113
A CYS 223 SG
--> A SER
178 O
| 2.97 3.79 120.2 114.6
E:\top500\1cb0H
114
? CYS 191 SG
--> ? THR
151 OG1
| 2.50 3.51 132.5 122.6
E:\top500\1cemH
115
? CYS 261 SG
--> ? THR
262 O
| 2.32 3.47 145.4 138.0
E:\top500\1cemH
116
? CYS 302 SG
--> ? ALA 298 O
| 2.97 3.44 100.0 114.0
E:\top500\1cemH
117
A CYS
76 SG
--> A ASN
44 OD1
| 2.22 3.41 150.4 128.8
118
A CYS
76 SG
--> A CYS
76 N
| 2.77 3.20 97.1 86.1 E:\top500\1ceqH
119
B CYS 438 SG
--> B
120
? CYS 309 SG
--> ?
GLN
304 O
| 2.83 3.81 130.3 90.7 E:\top500\1chdH
121
? CYS 309 SG
--> ?
ASN
305 O
| 2.01 3.14 142.1 121.7
E:\top500\1chdH
122
A CYS
66 SG
--> A TYR
61 O
| 2.52 3.68 146.8 97.0
E:\top500\1cipH
123
A CYS
66 SG
--> A SER
62 O
| 2.44 3.42 129.7 114.7
124
A CYS
139 SG
71 OE1
53 O
CYS 438 O
--> A CYS 139 O
| 2.30 3.38 137.9 126.7
| 2.73 3.80 137.6 100.6
E:\top500\1c02AH
E:\top500\1c3pH
E:\top500\1cb0H
| 2.36 3.53 147.6 94.9 E:\top500\1cb0H
| 2.70 3.56 121.7 81.6
| 2.52 3.41 123.0 87.8
E:\top500\1ceqH
E:\top500\1cf9BH
E:\top500\1cipH
E:\top500\1cipH
125
A CYS
139 SG
--> A TYR
126
A CYS
254 SG
--> A CYS 254 O
| 2.59 3.46 122.1 87.6
127
A CYS
305 SG
--> A ALA 301 O
| 2.29 3.38 139.1 136.9 E:\top500\1cipH
128
A CYS
39 SG
--> A SER
81 O
| 2.37 3.46 139.5 171.2 E:\top500\1cjwH
129
A CYS
39 SG
--> A HIS
146 NE2
| 2.84 3.40 104.2 125.2 E:\top500\1cjwH
130
A CYS
63 SG
--> A LEU
65 O
| 2.23 3.47 157.9 105.3 E:\top500\1cjwH
131
A CYS
77 SG
--> A HIS
112 ND1
132
A CYS
193 SG
--> A PHE 171 O
133
A CYS
218 SG
--> A ILE
258 O
| 2.87 4.03 147.6 149.0
134
A CYS
218 SG
--> A SER
262 N
| 2.97 4.13 147.9 100.9 E:\top500\1cl8H
135
A CYS
218 SG
--> A SER
262 OG
| 2.55 3.42 121.9 117.5
136
A CYS
58 SG
--> A SER
54 O
| 2.34 3.38 134.2 131.7 E:\top500\1cmbAH
137
B CYS
65 SG
--> B
THR
61 O
| 2.35 3.43 138.2 127.8 E:\top500\1cnzBH
138
B CYS
121 SG
--> B
ILE
139
B CYS
257 SG
--> B
LEU 253 O
140
A CYS
100 SG
--> A PRO
97 O
| 2.29 3.36 136.7 162.4 E:\top500\1cs1AH
141
A CYS
58 SG
--> A THR
38 O
| 2.77 3.86 140.0 131.0 E:\top500\1cydAH
142
A CYS
58 SG
--> A ARG
39 O
| 2.48 3.39 125.1 94.7 E:\top500\1cydAH
143
A CYS
590 SG
--> A GLU
586 O
| 2.38 3.46 137.5 124.7 E:\top500\1d2nH
144
A CYS
303 SG
--> A LEU
299 O
| 2.33 3.52 150.5 136.7 E:\top500\1d3vAH
145
A CYS
133 SG
--> A THR
131 O
| 2.23 3.52 168.9 120.3 E:\top500\1dbgH
146
A CYS
133 SG
--> A CYS 133 N
| 2.95 3.29 93.2 81.0 E:\top500\1dbgH
147
A CYS
160 SG
--> A GLN
| 2.38 3.67 171.8 112.5
148
A CYS
160 SG
--> A CYS 160 N
| 2.86 3.25 95.2 89.2 E:\top500\1dbgH
149
A CYS
165 SG
--> A ASP 163 O
| 2.18 3.45 165.1 122.5 E:\top500\1dbgH
150
A CYS
165 SG
--> A CYS 165 N
| 2.95 3.28 92.8 85.4 E:\top500\1dbgH
151
A CYS
264 SG
--> A PHE 237 O
| 2.78 3.21 96.9 111.3
152
A CYS
264 SG
--> A LEU
153
A CYS
264 SG
--> A CYS 264 N
154
A CYS
306 SG
--> A ILE
155
A CYS
306 SG
--> A GLY 459 N
| 2.81 4.06 159.4 123.0 E:\top500\1dbgH
156
A CYS
306 SG
--> A GLY 459 O
| 2.40 3.42 133.5 88.6
157
A CYS
368 SG
--> A ARG 364 O
| 2.16 3.28 141.1 133.6
158
A CYS
101 SG
--> A HIS
159
A CYS
101 SG
--> A ARG 102 N
| 2.87 3.42 103.5 123.5
160
A CYS
101 SG
--> A ALA 103 N
| 2.99 3.83 120.9 154.2 E:\top500\1dciAH
161
A CYS
101 SG
--> A ALA 103 O
| 2.50 3.40 124.1 123.2 E:\top500\1dciAH
162
A CYS
186 SG
--> A THR
187 O
163
? CYS
25 SG
--> ?
31 O
| 2.67 3.25 104.6 153.0
E:\top500\1dcsH
164
? CYS 100 SG
--> ? PHE 161 O
| 2.57 3.68 141.2 102.9
E:\top500\1dcsH
165
? CYS 155 SG
--> ?
ARG 266 N
| 2.84 4.12 169.5 118.5
E:\top500\1dcsH
166
? CYS 155 SG
--> ?
ARG 266 O
| 2.17 3.09 123.9 111.1
E:\top500\1dcsH
167
? CYS 197 SG
--> ?
SER 256 O
| 2.73 3.56 120.5 92.0
168
? CYS 197 SG
--> ?
SER 257 O
| 2.50 3.65 146.0 111.8
LEU
146 OH
260 O
158 O
262 O
456 O
65 O
| 2.61 3.68 137.4 84.4 E:\top500\1cipH
E:\top500\1cipH
| 2.28 3.51 157.1 95.0
E:\top500\1cjwH
| 2.55 3.77 155.6 124.2 E:\top500\1cjwH
E:\top500\1cl8H
E:\top500\1cl8H
| 2.10 3.26 145.9 151.2
E:\top500\1cnzBH
| 2.28 3.29 131.6 123.9 E:\top500\1cnzBH
E:\top500\1dbgH
E:\top500\1dbgH
| 2.18 3.48 175.1 107.3 E:\top500\1dbgH
| 2.81 3.22 96.1 84.5 E:\top500\1dbgH
| 2.63 3.09 97.9 114.7
E:\top500\1dbgH
E:\top500\1dbgH
E:\top500\1dbgH
| 2.63 3.78 146.4 138.7 E:\top500\1dciAH
E:\top500\1dciAH
| 2.32 3.54 154.5 122.2 E:\top500\1dciAH
E:\top500\1dcsH
E:\top500\1dcsH
169
A CYS
393 SG
--> A ASN
170
A CYS
460 SG
--> A ARG 456 O
| 2.28 3.35 136.9 135.8
171
A CYS
59 SG
--> A GLU
55 O
| 2.32 3.40 137.9 129.7 E:\top500\1di6H
172
A CYS
157 SG
--> A ASN
153 O
| 2.58 3.30 112.4 107.9
E:\top500\1dosAH
173
A CYS
157 SG
--> A ASN
153 OD1
| 1.99 3.25 162.5 165.9
E:\top500\1dosAH
174
D CYS 164 SG
--> D
TRP 160 O
| 2.49 3.33 119.3 113.0
175
D CYS 164 SG
--> D
TRP 160 NE1
| 2.44 3.22 115.3 88.5
176
A CYS
177
? CYS 110 SG
--> ? VAL 106 O
| 2.36 3.63 165.0 146.8
E:\top500\1edgH
178
? CYS 195 SG
--> ?
ASP 191 O
| 2.37 3.42 135.7 120.9
E:\top500\1edgH
179
? CYS 308 SG
--> ?
CYS 308 N
| 2.90 3.27 94.4 107.2
180
? CYS 308 SG
--> ?
ILE
181
A CYS
41 SG
--> A LEU
35 O
182
A CYS
153 SG
--> A THR
134 O
| 2.38 3.65 165.0 122.4 E:\top500\1ek6AH
183
A CYS
262 SG
--> A GLY 263 O
| 2.16 3.43 164.7 135.6 E:\top500\1ek6AH
184
A CYS
307 SG
--> A TYR
308 N
| 2.98 3.75 117.0 85.6
185
A CYS
37 SG
--> A ASN
33 O
186
A CYS
77 SG
--> A VAL
73 O
| 2.14 3.25 140.6 117.6
187
? CYS
32 SG
--> ?
MET
74 O
| 2.99 3.88 124.9 89.3 E:\top500\1ervH
188
? CYS
62 SG
--> ?
ILE
5O
189
A CYS
223 SG
--> A ALA 220 O
| 2.37 3.13 113.5 121.3
190
A CYS
223 SG
--> A LYS
| 2.68 3.83 145.8 93.3
191
A CYS
223 SG
--> A CYS 223 N
| 2.57 3.04 98.4 85.4 E:\top500\1es5H
192
A CYS
7 SG
--> A VAL
99 O
| 2.76 4.01 161.0 93.3
E:\top500\1evhABH
193
A CYS
62 SG
--> A CYS
62 O
| 2.22 3.14 123.7 99.3
E:\top500\1evhABH
194
? CYS 106 SG
--> ?
CYS 106 N
| 2.68 3.13 97.7 110.8
195
? CYS 106 SG
--> ?
CYS 106 O
| 2.93 3.38 98.6 88.4
196
? CYS 212 SG
--> ?
GLU
245 O
197
? CYS
10 SG
--> ?
ILE
7O
198
? CYS
10 SG
--> ?
THR
35 N
| 2.88 3.90 134.5 145.8
E:\top500\1fdsH
199
? CYS 156 SG
--> ?
GLY 144 O
| 2.44 3.39 128.0 105.2
E:\top500\1fdsH
200
? CYS
89 SG
--> ?
GLU
| 2.11 3.38 163.4 148.4
E:\top500\1flpH
201
? CYS 132 SG
--> ?
VAL
78 O
| 2.93 4.13 154.2 107.9
E:\top500\1fncH
202
? CYS 272 SG
--> ?
GLU
312 O
| 2.27 3.41 144.3 143.6
E:\top500\1fncH
203
A CYS
58 SG
--> A TYR
60 O
| 2.27 3.32 135.5 99.7
E:\top500\1ftrAH
204
A CYS
228 SG
--> A ASN
224 O
| 2.22 3.48 161.9 96.9
E:\top500\1ftrAH
205
A CYS
268 SG
--> A ILE
264 O
| 2.35 3.37 133.0 126.7
E:\top500\1ftrAH
206
O CYS 149 SG
--> O
HIS
176 NE2
207
O CYS 153 SG
--> O
SER 309 O
208
A CYS
315 SG
--> A CYS 311 O
| 2.19 3.34 145.2 130.3 E:\top500\1gsoH
209
A CYS
415 SG
--> A ARG 416 O
| 2.50 3.60 141.1 115.2
210
A CYS
110 SG
--> A LEU
54 O
| 2.34 3.63 177.3 128.4 E:\top500\1guqAH
211
A CYS 160 SG
--> A ASN
162 O
| 2.10 3.38 170.0 108.1 E:\top500\1guqAH
212
L CYS
--> L HIS 484 O
290 SG
95 SG
--> A LEU
397 OD1
286 O
338 O
221 O
137 OE1
| 2.85 3.50 108.8 99.1 E:\top500\1dgfAH
E:\top500\1dgfAH
E:\top500\1dpsDH
E:\top500\1dpsDH
| 2.82 3.46 108.5 114.8
E:\top500\1dqsAH
E:\top500\1edgH
| 2.24 3.52 169.9 97.7
E:\top500\1edgH
| 2.32 4.01 140.5 110.5
E:\top500\1egwAH
E:\top500\1ek6AH
| 2.26 3.48 155.4 137.7 E:\top500\1elkAH
E:\top500\1elkAH
| 2.87 3.60 114.0 102.6
E:\top500\1ervH
E:\top500\1es5H
E:\top500\1es5H
E:\top500\1fdrH
E:\top500\1fdrH
| 2.26 3.43 148.1 134.1
| 2.32 3.51 150.8 109.6
E:\top500\1fdrH
E:\top500\1fdsH
| 2.60 3.61 132.7 169.5 E:\top500\1gd1OH
| 2.94 3.82 124.4 105.9 E:\top500\1gd1OH
| 2.19 3.32 143.4 100.0
E:\top500\1gsoH
E:\top500\1h2rLH
213
L CYS
246 SG
--> L PHE 229 O
| 2.61 3.53 125.2 115.7
E:\top500\1h2rLH
214 S
CYS
98 SG
--> S
ASN
14 OD1
| 2.74 3.68 127.6 95.1 E:\top500\1h2rSH
215 S
CYS
98 SG
--> S
ASN
14 ND2
| 2.94 3.30 94.3 88.3
E:\top500\1h2rSH
216
? CYS 191 SG
--> ?
TRP 187 O
| 2.66 3.54 123.3 117.2
E:\top500\1hclH
217
? CYS 191 SG
--> ?
TRP 187 NE1
| 2.60 3.44 120.1 102.7
E:\top500\1hclH
218
L CYS
178 SG
--> L CYS 178 N
| 2.71 3.03 91.4 128.3
E:\top500\1hfeSLH
219
L CYS
200 SG
--> S
HIS
89 ND1
| 2.81 4.04 157.8 88.5
E:\top500\1hfeSLH
220
? CYS 124 SG
--> ?
LYS
14 O
| 2.32 3.36 134.1 126.0
E:\top500\1hmtH
221
? CYS
17 SG
--> ?
ARG
36 O
| 2.09 3.36 165.9 160.0
E:\top500\1hpmH
222
? CYS 267 SG
--> ?
LEU
263 O
| 2.23 3.27 134.0 125.7
E:\top500\1hpmH
223
? CYS
38 SG
--> ?
HIS
76 NE2
| 2.56 3.77 153.4 119.5
E:\top500\1kpfH
224
? CYS
84 SG
--> ?
VAL
80 O
| 2.36 3.38 132.8 124.2
E:\top500\1kpfH
225
? CYS
97 SG
--> ?
VAL
93 O
| 2.46 3.47 132.1 128.4
E:\top500\1lamH
226
? CYS 113 SG
--> ? ASP 111 O
| 2.14 3.39 159.1 111.6
E:\top500\1lamH
227
? CYS 281 SG
--> ?
ALA 277 O
| 2.38 3.27 122.8 123.5
E:\top500\1lamH
228
? CYS 303 SG
--> ?
ALA 220 N
| 2.73 3.82 139.8 102.6
E:\top500\1lamH
229
? CYS 344 SG
--> ?
ASN
322 N
| 2.65 3.88 91.3 91.8
230
? CYS 413 SG
--> ?
GLN
327 OE1
| 2.09 3.21 141.6 131.4
E:\top500\1lamH
231
? CYS 413 SG
--> ?
GLN
414 N
| 2.72 3.57 121.2 113.8
E:\top500\1lamH
232
B CYS
91 SG
--> B
ALA
87 O
| 2.89 3.39 101.0 141.9 E:\top500\1lucBH
233
B CYS
91 SG
--> B
CYS
91 N
| 2.87 3.29 97.1 106.8
E:\top500\1lucBH
234
B CYS
108 SG
--> B
LYS
110 N
| 3.00 3.45 99.3 130.9
E:\top500\1lucBH
235
B CYS
108 SG
--> B
LYS
110 O
| 2.25 3.13 121.5 105.1 E:\top500\1lucBH
236
B CYS
131 SG
--> B
LEU 127 O
| 2.33 3.37 135.0 119.5
237
B CYS
289 SG
--> B
VAL 285 O
| 2.32 3.40 137.9 122.4 E:\top500\1lucBH
238
B CYS
290 SG
--> B
ALA 286 O
| 2.12 3.37 158.7 135.1 E:\top500\1lucBH
239
A CYS
141 SG
--> A CYS 141 N
240
? CYS 147 SG
--> ?
ILE
241
? CYS 183 SG
--> ?
ALA 179 O
| 2.26 3.31 135.0 124.0
E:\top500\1mlaH
242
? CYS 202 SG
--> ? PRO 199 O
| 2.02 3.31 176.4 132.9
E:\top500\1mlaH
243
? CYS 157 SG
--> ?
ASP 153 O
| 2.78 3.95 148.8 117.7
E:\top500\1mmlH
244
? CYS 236 SG
--> ?
TYR
146 N
| 2.70 3.94 159.1 85.5 E:\top500\1mmlH
245
? CYS 300 SG
--> ?
THR
355 OG1
| 2.23 3.51 168.5 148.3
246
? CYS 374 SG
--> ?
VAL 376 N
| 2.91 3.53 107.8 145.3
E:\top500\1moqH
247
? CYS 374 SG
--> ?
VAL 376 O
| 2.29 3.57 169.4 114.8
E:\top500\1moqH
248
? CYS 374 SG
--> ?
SER 379 OG
| 2.76 3.42 109.4 130.5
E:\top500\1moqH
249
B CYS
--> B
| 2.31 3.51 151.1 113.0
E:\top500\1mpgBH
250
B CYS
86 SG
--> B
TYR
266 OH
251
B CYS
110 SG
--> B
CYS
110 N
| 2.83 3.20 94.5 117.8
E:\top500\1mpgBH
252
B CYS
110 SG
--> B
CYS
110 O
| 2.77 3.42 108.4 84.5
E:\top500\1mpgBH
253
B CYS
110 SG
--> B
GLN
229 NE2
| 2.73 3.79 137.9 153.8
E:\top500\1mpgBH
254
B CYS
67 SG
--> B PRO
65 O
| 2.91 3.67 116.5 108.5
E:\top500\1mroBH
255
C CYS
19 SG
--> C
ARG
15 O
| 2.76 3.66 124.3 147.1
E:\top500\1mroCH
256
C CYS
107 SG
--> C
ARG 103 O
| 2.28 3.41 142.2 133.3
E:\top500\1mroCH
74 SG
VAL
143 O
E:\top500\1lamH
E:\top500\1lucBH
| 2.76 3.17 96.0 124.8
| 2.41 3.46 135.3 123.0
70 O
E:\top500\1mgtH
E:\top500\1mlaH
E:\top500\1moqH
| 2.51 3.57 137.3 80.9 E:\top500\1mpgBH
257
? CYS 1042 SG
--> ? LEU 1029 O
| 2.36 3.44 138.5 99.8
E:\top500\1mskH
258
? CYS 1142 SG
--> ? ALA 1136 O
| 2.18 3.38 151.6 97.2
E:\top500\1mskH
259
? CYS 1142 SG
--> ? CYS 1142 O
| 2.75 3.26 101.4 105.4
260
A CYS
15 SG
--> A GLY
16 N
| 2.86 3.69 119.9 89.6
261
A CYS
15 SG
--> A GLY
16 O
| 2.20 3.50 178.1 132.7 E:\top500\1mugH
262
A CYS
15 SG
--> A LEU
69 N
| 2.88 3.56 110.9 118.7
263
A CYS
55 SG
--> A THR
71 O
| 2.90 3.88 131.0 107.4 E:\top500\1nbcAH
264
B CYS
61 SG
--> B
ASN
25 O
| 2.25 3.40 145.4 143.0 E:\top500\1nzyBH
265
B CYS
127 SG
--> B
ALA 128 O
| 2.34 3.46 142.2 122.3 E:\top500\1nzyBH
266
B CYS
228 SG
--> B
GLN
223 O
| 2.52 3.59 138.0 101.2 E:\top500\1nzyBH
267
B CYS
228 SG
--> B PRO 224 O
| 2.53 3.59 136.2 101.6 E:\top500\1nzyBH
268
B CYS
248 SG
--> B
269
? CYS 172 SG
--> ?
GLN
163 O
| 2.70 3.90 152.7 128.4
E:\top500\1oaaH
270
? CYS 172 SG
--> ?
TYR
165 N
| 2.69 3.50 118.8 140.3
E:\top500\1oaaH
271
? CYS 235 SG
--> ? PHE
20 N
272
? CYS 134 SG
--> ?
ARG 131 O
| 2.14 3.44 179.1 117.2
273
? CYS 205 SG
--> ?
ARG 206 N
| 2.91 3.51 106.5 92.1 E:\top500\1pdaH
274
? CYS 205 SG
--> ?
ARG 206 O
| 2.25 3.54 172.3 107.1
275
A CYS
98 SG
--> A MET
276
? CYS
11 SG
--> ? SER
59 OG
| 2.38 3.60 156.3 93.3 E:\top500\1pmiH
277
? CYS 150 SG
--> ?
GLN
331 OE1
| 2.01 3.30 170.7 133.1
E:\top500\1pmiH
278
? CYS 261 SG
--> ?
ALA 305 O
| 2.84 3.90 137.6 109.1
E:\top500\1pmiH
279
A CYS
155 SG
--> A ASP 153 O
| 2.12 3.41 172.3 147.7 E:\top500\1pymAH
280
A CYS
155 SG
--> A CYS 155 N
| 2.65 3.10 97.3 82.8 E:\top500\1pymAH
281
B CYS 2104 SG
--> B PRO 2095 N
282
A CYS
82 SG
--> A GLU
80 O
| 2.28 3.50 154.2 117.2
E:\top500\1qe3H
283
A CYS
23 SG
--> A LYS
19 O
| 2.36 3.27 124.6 119.8
E:\top500\1qf9H
284
A CYS
119 SG
--> A ARG 127 NH1
| 2.82 3.87 136.4 89.0 E:\top500\1qf9H
285
A CYS
264 SG
--> A GLU
| 2.23 3.14 123.4 132.7
286
A CYS
352 SG
--> A TRP 340 NE1
| 2.87 3.49 107.5 126.1 E:\top500\1qfmH
287
A CYS
526 SG
--> A ARG 505 O
| 1.98 3.27 169.3 122.4
288
A CYS
563 SG
--> A LEU
559 O
| 2.26 3.33 136.9 130.9 E:\top500\1qfmH
289
A CYS
703 SG
--> A PHE 699 O
| 2.38 3.31 125.5 124.8 E:\top500\1qfmH
290
A CYS
160 SG
--> A THR
291
D CYS 137 SG
--> D
292
A CYS
141 SG
--> A GLU
293
A CYS
146 SG
--> A CYS 146 O
294
A CYS
146 SG
--> A ARG 151 NH2
295
A CYS
254 SG
--> A PHE 250 O
| 2.34 3.38 134.2 127.2 E:\top500\1qh4AH
296
A CYS
109 SG
--> A THR
148 O
| 2.30 3.60 176.6 125.9 E:\top500\1qh5AH
297
A CYS
116 SG
--> A HIS
114 ND1
| 2.87 4.10 156.9 124.2 E:\top500\1qh5AH
298
A CYS
153 SG
--> A ALA 149 O
299
A CYS
171 SG
--> A HIS
300
A CYS
44 SG
--> A VAL
HIS 244 O
ILE
94 O
269 OE2
97 OG1
133 O
150 OE2
173 O
41 O
E:\top500\1mskH
E:\top500\1mugH
E:\top500\1mugH
| 2.15 3.44 170.8 143.1 E:\top500\1nzyBH
| 2.89 3.88 131.4 92.0
E:\top500\1oaaH
E:\top500\1pdaH
E:\top500\1pdaH
| 2.04 3.23 149.3 134.6
| 2.87 3.43 104.0 82.1
E:\top500\1phnAH
E:\top500\1qd1BH
| 2.97 3.57 106.9 113.4
E:\top500\1qfmH
E:\top500\1qfmH
E:\top500\1qgqH
| 2.14 3.31 147.9 122.0 E:\top500\1qgwBDH
| 2.37 3.41 134.9 111.4
| 2.20 3.15 126.5 96.1
E:\top500\1qh4AH
E:\top500\1qh4AH
| 2.87 3.93 138.1 97.4 E:\top500\1qh4AH
| 2.51 3.55 134.9 125.1 E:\top500\1qh5AH
| 2.37 3.56 151.5 134.8 E:\top500\1qh5AH
| 2.61 3.42 118.2 145.4
E:\top500\1qh8AH
301
A CYS
182 SG
--> A SER
151 N
| 2.87 3.57 111.9 106.2
302
A CYS
182 SG
--> A SER
151 O
| 2.22 3.52 178.0 121.6 E:\top500\1qh8AH
303
B CYS
76 SG
--> B
TRP 195 O
| 2.76 3.79 134.7 151.0 E:\top500\1qh8BH
304
B CYS
76 SG
--> B PHE 199 N
| 2.56 3.77 153.3 105.6 E:\top500\1qh8BH
305
B CYS
384 SG
--> B
LEU 358 O
| 2.11 3.41 173.0 114.1
306
B CYS
421 SG
--> B
ILE
307
B CYS
18 SG
--> B
ALA
14 O
308
B CYS
19 SG
--> B
ALA
15 O
| 2.12 3.41 170.8 124.4 E:\top500\1qipBH
309
B CYS
138 SG
--> B
VAL 134 O
| 2.35 3.32 128.4 131.4 E:\top500\1qipBH
310
A CYS
13 SG
--> A LEU
311
A CYS
13 SG
--> A ARG 174 O
| 2.52 3.36 119.8 146.9
E:\top500\1qj4H
312
A CYS
13 SG
--> A GLY 176 N
| 2.73 3.77 135.4 110.2
E:\top500\1qj4H
313
A CYS
161 SG
--> A CYS 161 N
| 2.91 3.24 92.4 113.5
E:\top500\1qj4H
314
A CYS
38 SG
--> A HIS
37 NE2
| 2.59 3.73 144.6 87.5
E:\top500\1qk5AH
315
A CYS
38 SG
--> A CYS
38 N
316
A CYS
76 SG
--> A ILE
77 N
317
A CYS
76 SG
--> A SER
81 OG
318
? CYS
58 SG
--> ?
TYR
54 O
| 2.87 3.56 111.6 112.8
E:\top500\1qnfH
319
? CYS 221 SG
--> ?
LEU 217 O
| 2.77 3.65 123.5 131.4
E:\top500\1qnfH
320
A CYS
101 SG
--> A LEU
321
A CYS
148 SG
--> A GLY 145 N
| 2.90 3.87 129.7 132.4 E:\top500\1qreH
322
A CYS
13 SG
--> A GLN
| 2.84 3.91 138.7 147.1
323
A CYS
138 SG
--> A PRO
324
A CYS
197 SG
--> A ILE
325
A CYS
244 SG
--> A LEU
240 O
| 2.61 3.64 133.9 124.6 E:\top500\1qrrH
326
A CYS
274 SG
--> A ASP 270 O
| 2.25 3.20 126.4 128.6 E:\top500\1qrrH
327
A CYS
255 SG
--> A ARG 202 NE
| 2.97 3.96 132.4 134.8
328
A CYS
255 SG
--> A GLU
| 2.61 3.64 134.2 84.5
329
A CYS
351 SG
--> A ARG 349 NH1
| 2.95 3.46 101.8 103.8
330
A CYS
351 SG
--> A GLU
| 2.28 3.54 161.1 93.1 E:\top500\1qs1AH
331
G CYS 131 SG
--> G MET 127 O
332
A CYS
710 SG
--> A LYS
868 O
| 2.29 3.44 144.7 122.8 E:\top500\1qtsH
333
A CYS
791 SG
--> A ASN
765 O
| 2.99 4.18 153.0 158.3 E:\top500\1qtsH
334
A CYS
791 SG
--> A ILE
792 N
| 2.95 3.63 111.2 111.3
335
A CYS
791 SG
--> A SER
793 O
| 2.28 3.25 128.4 123.0 E:\top500\1qtsH
336
A CYS
902 SG
--> A ILE
900 O
| 2.16 3.46 178.6 117.8
E:\top500\1qtsH
337
A CYS
931 SG
--> A CYS 931 O
| 2.63 3.50 122.2 86.8
E:\top500\1qtsH
338
A CYS
931 SG
--> A SER
935 OG
| 2.74 4.03 173.7 146.6 E:\top500\1qtsH
339
A CYS
98 SG
--> A GLU
94 O
| 2.67 3.51 120.3 123.3 E:\top500\1qtwH
340
A CYS
122 SG
--> A GLY
77 O
| 2.20 3.48 169.5 107.3 E:\top500\1qtwH
341
A CYS
177 SG
--> A ASN
342
A CYS
177 SG
--> A HIS
216 NE2
343
A CYS
196 SG
--> A LEU
190 O
| 2.74 3.47 113.6 102.8
E:\top500\1qtwH
344
A CYS
196 SG
--> A THR
192 O
| 2.44 3.53 140.0 116.6
E:\top500\1qtwH
419 O
146 O
234 O
209 NE2
91 O
193 O
254 O
355 OE1
107 OD1
E:\top500\1qh8AH
E:\top500\1qh8BH
| 2.17 3.39 155.3 138.7
E:\top500\1qh8BH
| 2.46 3.68 154.6 151.6 E:\top500\1qipBH
| 2.92 3.90 131.4 134.6 E:\top500\1qj4H
| 2.96 3.28 92.2 86.3 E:\top500\1qk5AH
| 2.99 3.64 109.9 107.8
E:\top500\1qk5AH
| 1.92 3.22 177.9 153.8 E:\top500\1qk5AH
| 1.99 3.13 142.5 134.5 E:\top500\1qq5AH
E:\top500\1qrrH
| 2.46 3.56 140.3 90.7
E:\top500\1qrrH
| 2.24 3.40 145.9 120.1
E:\top500\1qrrH
| 2.28 3.46 149.9 119.8
| 2.72 3.42 111.7 131.4
| 2.46 3.68 154.7 87.1
E:\top500\1qs1AH
E:\top500\1qs1AH
E:\top500\1qs1AH
E:\top500\1qsgGH
E:\top500\1qtsH
E:\top500\1qtwH
E:\top500\1qtwH
345
? CYS
85 SG
--> ?
ALA
81 O
| 2.25 3.53 165.4 140.7
346
? CYS
54 SG
--> ? PRO
55 N
| 2.92 3.61 111.9 94.6
347
? CYS
54 SG
--> ? PRO
55 O
| 2.13 3.43 175.7 128.9
E:\top500\1rcfH
348
? CYS 254 SG
--> ?
GLY 250 O
| 2.24 3.46 154.9 136.7
E:\top500\1rhsH
349
? CYS 254 SG
--> ?
VAL 251 O
| 2.92 3.65 113.8 110.7
E:\top500\1rhsH
350
? CYS 263 SG
--> ?
ALA 259 O
| 2.36 3.48 142.1 136.9
E:\top500\1rhsH
351
? CYS 189 SG
--> ?
ASN
| 2.16 3.45 173.0 118.0
E:\top500\1svyH
352
B CYS
62 SG
--> B
THR
58 O
| 2.97 3.50 102.7 131.8 E:\top500\1tc1BH
353
B CYS
62 SG
--> B
ALA
59 O
| 2.22 3.52 174.0 113.7
354
B CYS
62 SG
--> B
ARG
63 N
| 2.94 3.34 96.6 135.3 E:\top500\1tc1BH
355
B CYS
66 SG
--> B
CYS
66 O
| 2.66 3.52 122.0 86.9
356
? CYS
78 SG
--> ?
357
A CYS
153 SG
--> A TYR
149 O
| 2.85 3.46 107.0 110.2
E:\top500\1toaAH
THR
202 OD1
80 O
E:\top500\1ra9H
E:\top500\1rcfH
E:\top500\1tc1BH
E:\top500\1tc1BH
| 2.15 3.32 146.8 128.1
E:\top500\1tfeH
358 1
CYS
66 SG
--> 1
TYR
67 O
| 2.45 3.60 146.2 128.6
E:\top500\1tph1H
359 1
CYS 217 SG
--> 1
GLY 214 O
| 2.23 3.50 164.7 100.6
E:\top500\1tph1H
360 1
CYS 217 SG
--> 1
CYS 217 N
| 2.98 3.28 91.6 131.7
361
? CYS 267 SG
--> ?
ARG 265 O
| 2.17 3.46 170.7 121.9
362
? CYS 267 SG
--> ?
CYS 267 N
| 2.94 3.27 93.1 80.2
363
? CYS 290 SG
--> ?
HIS 288 O
| 2.21 3.50 168.6 119.5
364
? CYS 290 SG
--> ?
CYS 290 N
| 2.94 3.27 92.7 83.0
365
? CYS 496 SG
--> ?
THR
| 2.45 3.28 119.1 113.9
366
? CYS 613 SG
--> ?
HIS 610 N
| 2.94 4.14 152.0 107.1
E:\top500\1tyvH
367
? CYS 613 SG
--> ?
HIS 610 O
| 2.15 3.19 133.2 129.6
E:\top500\1tyvH
368
? CYS 635 SG
--> ?
SER 634 O
| 2.59 3.62 134.7 93.3
E:\top500\1tyvH
369
? CYS 171 SG
--> ?
VAL 167 O
| 2.32 3.29 128.5 118.7
E:\top500\1uaeH
370
? CYS 381 SG
--> ?
VAL 377 O
| 2.23 3.46 155.2 122.1
E:\top500\1uaeH
371
C CYS
520 SG
--> C
372
C CYS
555 SG
--> C
373
? CYS
95 SG
--> ?
SER
92 O
| 2.27 3.23 127.7 154.6
E:\top500\1uchH
374
? CYS 209 SG
--> ?
ALA 205 O
| 1.96 3.18 152.7 122.9
E:\top500\1uchH
375
A CYS
65 SG
--> A THR
58 O
| 2.28 3.42 144.3 135.5 E:\top500\1uroH
376
A CYS
65 SG
--> A SER
61 O
| 2.77 3.44 110.4 133.1
377
A CYS
65 SG
--> A CYS
65 N
| 2.77 3.20 96.9 110.6
378
A CYS
294 SG
--> A LYS
290 O
379
? CYS 113 SG
--> ? ARG
380
? CYS 154 SG
--> ?
THR
150 O
| 2.05 3.27 153.8 121.5
E:\top500\1uxyH
381
? CYS 272 SG
--> ?
LEU 268 O
| 2.10 3.33 157.1 143.1
E:\top500\1uxyH
382
A CYS
80 SG
--> A HIS
383
A CYS
129 SG
--> A ASP 130 N
| 2.80 3.50 111.6 94.0
384
A CYS
129 SG
--> A ASP 130 O
| 2.14 3.43 173.1 134.0 E:\top500\1vfrAH
385
A CYS
185 SG
--> A PHE
86 N
| 3.00 3.97 130.5 122.0 E:\top500\1vfrAH
386
A CYS
185 SG
--> A PHE
86 O
| 2.32 3.53 152.8 107.7 E:\top500\1vfrAH
387
A CYS
185 SG
--> A VAL 187 O
388
? CYS
47 SG
--> ? PRO
467 O
ASP 243 O
ALA 346 O
66 NH1
82 O
52 O
E:\top500\1tph1H
E:\top500\1tyvH
E:\top500\1tyvH
E:\top500\1tyvH
E:\top500\1tyvH
E:\top500\1tyvH
| 2.36 3.64 168.9 107.9 E:\top500\1ubpH
| 2.26 3.40 144.4 112.6
E:\top500\1ubpH
E:\top500\1uroH
E:\top500\1uroH
| 2.16 3.31 145.1 126.3 E:\top500\1uroH
| 2.57 3.47 124.3 149.5 E:\top500\1uxyH
| 2.21 3.51 174.9 102.8 E:\top500\1vfrAH
| 2.60 3.33 112.7 135.5
| 2.23 3.36 142.7 114.8
E:\top500\1vfrAH
E:\top500\1vfrAH
E:\top500\1vieH
389
? CYS 342 SG
--> ?
CYS 342 O
| 2.90 3.63 113.9 88.8
390
? CYS 205 SG
--> ?
TYR
201 O
| 2.38 3.34 127.8 110.4
E:\top500\1wabH
391
? CYS 388 SG
--> ?
GLY 362 O
| 2.82 3.38 104.2 134.5
E:\top500\1xwlH
392
? CYS 845 SG
--> ?
MET 841 O
| 2.20 3.33 143.0 117.0
E:\top500\1xwlH
393
? CYS 492 SG
--> ?
VAL 488 O
| 2.27 3.33 136.2 133.0
E:\top500\1ygeH
394
? CYS 679 SG
--> ?
LEU 675 O
| 2.28 3.31 133.2 131.6
E:\top500\1ygeH
395
A CYS
--> A CYS
| 2.27 3.21 125.4 88.6
E:\top500\1ytbAH
78 SG
78 O
E:\top500\1vnsH
396 I CYS
333 SG
--> I SER
537 OG
| 2.01 3.31 177.8 130.9
397 I CYS
402 SG
--> I CYS
402 O
| 2.65 3.53 122.6 81.5
398 I CYS
517 SG
--> I MET 513 O
| 2.13 3.42 171.5 137.3
E:\top500\1yveIH
| 2.83 4.06 158.0 120.8
E:\top500\1zinH
399
? CYS
77 SG
--> ?
400
C CYS
194 SG
--> C
401
D CYS 146 SG
--> D PRO 143 O
| 2.18 3.45 165.4 149.4 E:\top500\2ahjDH
402
D CYS 146 SG
--> D
CYS
| 2.93 3.25 92.2 136.0
403
B CYS
66 SG
--> B
THR
404
A CYS
340 SG
--> A ASN
336 O
| 2.23 3.28 134.9 131.2 E:\top500\2bopAH
405
A CYS
340 SG
--> A ASN
336 OD1
| 2.92 3.98 137.9 85.6 E:\top500\2bopAH
406
A CYS
356 SG
--> A THR
357 N
| 2.56 3.31 114.2 115.8
407
A CYS
356 SG
--> A THR
357 O
| 2.35 3.65 178.2 123.4 E:\top500\2bopAH
408
? CYS 161 SG
--> ?
SER
40 O
| 2.05 3.23 148.4 124.8
E:\top500\2cplH
409
? CYS 136 SG
--> ?
GLN
132 O
| 2.21 3.26 134.8 122.4
E:\top500\2cppH
410
? CYS 136 SG
--> ?
GLN
132 NE2
| 2.81 3.50 111.6 107.4
E:\top500\2cppH
411
? CYS
21 SG
--> ? GLY
412
A CYS
50 SG
--> A GLU
413
? CYS
35 SG
--> ?
GLY
31 O
| 2.10 3.37 166.9 144.0
414
? CYS
35 SG
--> ?
CYS
35 N
| 2.96 3.29 92.7 124.0
415
? CYS
99 SG
--> ?
ASN
95 O
| 2.11 3.35 156.8 150.2
416
? CYS
73 SG
--> ?
ILE
40 O
417
? CYS 171 SG
--> ?
TYR
167 O
418
A CYS
248 SG
--> A GLY 195 N
419
A CYS
288 SG
--> A TYR
305 OH
| 2.75 3.84 140.2 89.9 E:\top500\2nacAH
420
A CYS
354 SG
--> A GLU
350 O
| 2.20 3.33 142.9 131.8 E:\top500\2nacAH
421
A CYS
18 SG
--> A ALA
14 O
422
? CYS
13 SG
--> ?
GLY
15 O
| 2.00 3.28 167.9 134.2
E:\top500\2rn2H
423
? CYS
63 SG
--> ?
GLU
61 O
| 2.05 3.35 175.4 123.0
E:\top500\2rn2H
424
? CYS
63 SG
--> ?
CYS
63 N
| 2.80 3.21 96.2 82.6
425
? CYS
77 SG
--> ?
CYS
78 N
| 2.89 3.38 100.9 147.6
426
A CYS
9 SG
--> A TYR
149 N
427
A CYS
132 SG
--> A GLU
25 O
| 2.28 3.55 165.3 135.9 E:\top500\3btoAH
428
A CYS
170 SG
--> A LEU
166 O
| 2.62 3.62 131.4 134.4 E:\top500\3btoAH
429
A CYS
240 SG
--> A PHE 229 O
| 2.80 4.08 166.8 98.7
430
A CYS
281 SG
--> A ALA 278 O
| 2.13 3.42 171.1 117.6
431
A CYS
282 SG
--> A LEU
| 2.05 3.31 160.5 143.2 E:\top500\3btoAH
432
? CYS 108 SG
--> ?
ARG
THR
TYR
71 O
E:\top500\1yveIH
E:\top500\1yveIH
191 OG1
146 N
50 OG1
28 O
46 O
279 O
121 N
| 2.08 3.35 162.9 131.0
E:\top500\2ahjDH
| 2.81 3.57 115.3 165.4
| 2.26 3.36 139.4 92.4
E:\top500\2ahjCH
E:\top500\2arcBH
E:\top500\2bopAH
E:\top500\2garH
| 2.33 3.32 129.8 130.7 E:\top500\2hmzAH
E:\top500\2mhrH
E:\top500\2mhrH
| 2.30 3.59 177.3 107.5
E:\top500\2mhrH
E:\top500\2myrH
| 2.56 3.55 131.1 117.1
E:\top500\2myrH
| 2.56 3.64 138.9 90.6
E:\top500\2nacAH
| 2.27 3.52 161.3 129.6 E:\top500\2pvbH
E:\top500\2rn2H
| 2.85 3.86 133.7 150.4
| 2.77 3.99 156.3 87.0
E:\top500\2tgiH
E:\top500\3btoAH
E:\top500\3btoAH
E:\top500\3btoAH
E:\top500\3claH
433
? CYS 214 SG
--> ?
LEU 210 O
| 2.29 3.38 138.3 128.5
E:\top500\3claH
434
? CYS 234 SG
--> ?
CYS 234 O
| 2.37 3.30 125.5 90.8
435
? CYS 333 SG
--> ?
ALA 328 O
| 2.76 3.71 128.3 94.6 E:\top500\3grsH
436
? CYS 115 SG
--> ? THR
93 OG1
| 2.12 3.38 161.9 93.7 E:\top500\3nulH
437
A CYS
92 SG
--> A ASP
89 O
| 2.11 3.40 168.6 114.9
438
A CYS
92 SG
--> A VAL
93 N
| 2.99 3.46 100.1 127.7 E:\top500\3sdhAH
439
A CYS
22 SG
--> A PHE 144 N
440
? CYS
53 SG
--> ?
SER
54 N
| 2.84 3.41 105.1 97.2
441
? CYS
53 SG
--> ?
SER
54 O
| 2.19 3.46 164.6 133.2
442
? CYS 108 SG
--> ?
ILE
77 O
| 2.28 3.56 169.5 117.2
443
? CYS 128 SG
--> ?
ALA 124 O
444
? CYS 118 SG
--> ? GLN
445
B CYS
173 SG
--> B
446
B CYS
173 SG
--> B
447
A CYS
448
E:\top500\3grsH
E:\top500\3sdhAH
| 2.58 3.04 98.0 112.9
E:\top500\3stdAH
E:\top500\5nulH
E:\top500\5nulH
E:\top500\5nulH
| 2.33 3.54 152.3 128.1
E:\top500\5nulH
150 OE1
| 2.90 3.83 127.5 119.6
E:\top500\5p21H
TYR
166 O
| 2.32 3.61 170.3 93.9
E:\top500\6gsvBH
GLU
170 O
| 2.76 3.20 97.6 134.9
E:\top500\6gsvBH
11 SG
--> A ALA
91 O
| 2.20 3.49 172.9 122.0 E:\top500\7fd1H
A CYS
11 SG
--> A ASP
95 N
| 2.88 3.48 106.3 100.4 E:\top500\7fd1H
449
A CYS
24 SG
--> A CYS
24 N
| 2.72 3.14 96.5 138.0
E:\top500\7fd1H
450
A CYS
89 SG
--> A GLU
94 O
| 2.34 3.64 176.9 90.5
E:\top500\7odcH
451
A CYS
202 SG
--> A THR
207 OG1
452
A CYS
217 SG
--> A SER
213 O
| 2.22 3.45 155.2 136.0 E:\top500\7odcH
453
A CYS
328 SG
--> A SER
325 O
| 2.32 3.53 154.0 132.8 E:\top500\7odcH
454
? CYS
64 SG
--> ?
VAL
88 O
| 2.76 3.49 113.6 146.8
E:\top500\8abpH
455
? CYS
64 SG
--> ?
ASP
90 N
| 2.89 4.12 156.2 134.7
E:\top500\8abpH
456
A CYS
172 SG
--> A PHE 402 O
| 2.20 3.17 127.9 134.1 E:\top500\8rucAIH
457
A CYS
192 SG
--> A ALA 188 O
| 2.11 3.23 140.7 132.0 E:\top500\8rucAIH
458
A CYS
192 SG
--> A ASN
| 2.67 3.57 124.1 104.0
459
A CYS
221 SG
--> A HIS
460
A CYS
427 SG
413 ND2
238 NE2
--> A ALA 423 O
| 2.65 3.59 127.5 99.0 E:\top500\7odcH
E:\top500\8rucAIH
| 2.81 3.88 138.3 103.9 E:\top500\8rucAIH
| 2.22 3.33 140.8 133.0 E:\top500\8rucAIH
461 I CYS
41 SG
--> I LEU
42 N
| 2.96 3.43 99.8 140.4
462 I CYS
112 SG
--> I TRP
38 NE1
| 2.81 3.95 145.2 106.3
E:\top500\8rucAIH
SER
8O
| 2.36 3.66 175.4 115.3
E:\top500\16pkH
12 SG
--> ?
E:\top500\8rucAIH
463
? CYS
464
? CYS 113 SG
--> ? LEU
114 N
| 2.98 3.51 103.0 119.3
E:\top500\16pkH
465
? CYS 332 SG
--> ?
328 O
| 2.21 3.50 174.0 134.9
E:\top500\16pkH
THR
HB_catcher v1.0 (Zhou et al. 2008)
Half-cysteine sulfur atoms served as H-bond acceptor (Hcys←X).
<---DONOR--->
chain res
<-ACCEPTOR-->
res atom chain res res atom
num
bond_length bond_angle
num
d
D
θ
ψ
PDB
1
? CYS 160 N
--> ? CYS 154 SG
| 3.05 3.26 93.3 111.2
E:\top500\1a7sH
2
? SER
--> ? CYS 171 SG
| 2.80 3.12 99.6 104.8
E:\top500\1a7sH
3
? ASN 216 N
--> ? CYS 214 SG
| 2.84 3.68 141.9 115.7
130 OG
E:\top500\1a8dH
4
? ASN 183 ND2
--> ? CYS 174 SG
| 3.00 3.94 156.0 84.5
5
A ASN 102 N
--> A CYS
100 SG
| 2.76 3.63 145.6 104.8
E:\top500\1a73AH
6
A TYR
42 N
--> A CYS
105 SG
| 2.76 3.58 139.8 113.5
E:\top500\1a73AH
7
A ASN 107 N
--> A CYS
105 SG
| 2.35 3.33 165.6 119.2
E:\top500\1a73AH
8
A GLY 127 N
--> A CYS
125 SG
| 2.48 3.48 178.4 96.5
E:\top500\1a73AH
9
A HIS
--> A CYS 132 SG
| 2.62 3.47 142.8 116.7
E:\top500\1a73AH
134 N
10
A CYS 138 N
11
A ARG 122 NH1
12
? ASN
54 N
--> ? CYS
92 SG
| 2.69 3.64 158.7 109.8
E:\top500\1aacH
13
A VAL 109 N
--> A CYS
107 SG
| 2.74 3.70 161.9 108.7
E:\top500\1aayH
14
A ARG 114 N
--> A CYS
112 SG
| 2.73 3.61 146.9 120.5
E:\top500\1aayH
15
A ILE
16
A CYS 140 N
17
A ARG 142 N
18
A ILE
19
A CYS 168 N
20
A ARG 170 N
21
? CYS
17 N
--> ? CYS
14 SG
| 2.48 3.35 144.5 106.5
E:\top500\1abaH
22
? TYR
7N
--> ? CYS
17 SG
| 2.62 3.59 164.8 103.5
E:\top500\1abaH
23
? CYS
12 N
--> ? CYS
12 SG
| 2.94 3.15 98.3 117.4
E:\top500\1ahoH
24
? ASP
35 N
--> ? CYS
30 SG
| 2.99 3.72 131.2 83.4
E:\top500\1ajjH
25
? CYS
217 N
--> ? CYS
72 SG
| 2.80 3.27 109.0 115.4
26
? ILE
87 N
--> ? CYS
85 SG
| 3.06 3.78 130.2 92.9
27
? SER
88 N
--> ? CYS
85 SG
| 2.90 3.88 164.7 115.9
E:\top500\1ak0H
28
? GLY 478 N
--> ? CYS
434 SG
| 2.16 3.15 169.9 134.5
E:\top500\1aopH
29
? LEU
442 N
--> ? CYS
440 SG
| 2.49 3.45 160.4 107.0
E:\top500\1aopH
30
? ASN
481 N
--> ? CYS
479 SG
| 2.63 3.61 165.7 103.7
E:\top500\1aopH
31
? ASN
481 ND2
--> ? CYS
479 SG
| 2.98 3.45 109.6 163.6
32
? LEU
122 N
--> ? CYS
120 SG
| 3.09 3.75 124.3 115.0
E:\top500\1aqbH
33
? ASP 131 N
--> ? CYS 129 SG
| 2.97 3.63 124.5 115.8
E:\top500\1aqbH
34
? CYS
6N
--> ? CYS
216 SG
| 2.44 3.29 142.6 108.0
E:\top500\1arbH
35
? SER 324 N
--> ? CYS
322 SG
| 3.09 3.95 144.4 107.1
E:\top500\1aruH
36
? GLU
325 N
--> ? CYS
322 SG
| 2.95 3.74 136.4 102.2
E:\top500\1aruH
37
A CYS 197 N
--> A CYS
117 SG
| 3.15 3.71 117.0 100.4
E:\top500\1atlACH
38
B ARG 619 NE
--> B CYS 636 SG
| 3.20 3.44 95.6 113.9
E:\top500\1avwBH
39
B ARG 619 NH2
--> B
| 3.13 3.52 104.3 118.0
40
A PHE
41
A THR
81 N
--> A CYS
46 SG
| 2.60 3.55 159.3 105.9
E:\top500\1b0yH
42
A LEU
65 N
--> A CYS
63 SG
| 2.41 3.35 157.2 110.0
E:\top500\1b0yH
43
A SER
79 N
--> A CYS
77 SG
| 2.44 3.40 160.1 104.3
E:\top500\1b0yH
44
A ARG 168 NH2
| 3.09 3.32 94.4 92.9
E:\top500\1b5eAH
45
? ALA
93 N
--> ? CYS
46
A GLY
25 N
--> A CYS
15 SG
| 2.93 3.47 114.5 149.3
47
A SER
26 N
--> A CYS
15 SG
| 3.07 3.41 101.8 95.0
139 N
167 N
48 N
--> A CYS 132 SG
E:\top500\1a8eH
--> A CYS 138 SG
--> A CYS
E:\top500\1a73AH
| 2.52 3.41 147.8 107.5
E:\top500\1a73AH
| 2.53 3.40 144.9 107.4
E:\top500\1aayH
--> A CYS 137 SG
| 2.56 3.52 162.4 97.7
E:\top500\1aayH
--> A CYS 140 SG
| 2.57 3.54 165.5 106.0
--> A CYS
137 SG
| 2.59 3.58 170.5 119.4
165 SG
E:\top500\1aayH
| 2.52 3.39 145.8 110.1
E:\top500\1aayH
--> A CYS 165 SG
| 2.49 3.46 162.4 91.9
E:\top500\1aayH
--> A CYS 168 SG
| 2.69 3.66 162.8 104.8
CYS 645 SG
--> A CYS
46 SG
--> A CYS 148 SG
92 SG
| 2.41 3.40 168.6 103.9
| 2.73 3.02 96.5 87.0
E:\top500\1aayH
E:\top500\1ak0H
E:\top500\1ak0H
E:\top500\1aopH
E:\top500\1avwBH
E:\top500\1b0yH
E:\top500\1becH
E:\top500\1bk7H
E:\top500\1bk7H
48
A CYS
49
48 N
91 SG
| 2.79 3.50 127.8 139.3
E:\top500\1bk7H
A CYS 168 N
--> A CYS 179 SG
| 2.91 3.25 100.7 143.3
E:\top500\1bk7H
50
? ASN
--> ? CYS
51
? HIS
52
? GLY
48 N
53
? GLY
41 N
81 N
--> A CYS
| 2.67 3.62 158.3 100.9
E:\top500\1bqkH
78 SG
| 3.14 4.01 145.8 91.8
E:\top500\1bqkH
--> ? CYS
46 SG
| 3.05 3.83 135.2 89.6
E:\top500\1bs9H
54 N
--> ? CYS
46 SG
| 3.10 3.83 130.4 132.3
E:\top500\1bs9H
54
? ALA 149 N
--> ? CYS
147 SG
| 2.61 3.53 153.6 111.8
E:\top500\1bs9H
55
? SER 163 N
--> ? CYS
161 SG
| 2.61 3.46 142.8 108.0
E:\top500\1bs9H
56
? TYR
57
190 OH
--> ? CYS
78 SG
--> ? CYS
178 SG
| 2.87 3.57 127.3 152.2
E:\top500\1bs9H
? ALA 149 N
--> ? CYS
179 SG
| 3.10 4.02 154.0 151.1
E:\top500\1bs9H
58
A CYS 145 N
--> A CYS 154 SG
| 2.78 3.75 164.2 83.9
E:\top500\1btkAH
59
A GLN
157 N
--> A CYS 155 SG
| 2.91 3.89 167.8 92.7
E:\top500\1btkAH
60
A GLN
157 NE2
--> A CYS 155 SG
| 2.45 3.40 159.2 101.7
61
? GLN
192 N
--> ? CYS
220 SG
| 3.06 3.93 145.9 149.8
E:\top500\1btyH
62
? GLN
192 NE2
--> ? CYS
220 SG
| 2.85 3.39 114.7 142.8
E:\top500\1btyH
63
A GLY 402 N
--> A CYS 400 SG
| 2.50 3.20 126.7 111.3
E:\top500\1bu7AH
64
A CYS 238 N
--> A CYS
69 SG
| 3.00 3.36 102.7 96.6
65
A GLY
17 N
--> A CYS
15 SG
| 2.46 3.34 146.7 100.2
66
A THR
14 N
--> A CYS
18 SG
| 2.61 3.54 153.7 91.9
E:\top500\1cc8H
67
? TYR
149 N
68
E:\top500\1btkAH
E:\top500\1bueH
E:\top500\1cc8H
--> ? CYS
171 SG
| 2.98 3.80 140.5 135.6
E:\top500\1cexH
B HIS 128 NE2
--> B CYS
169 SG
| 0.95 1.84 141.3 120.6
E:\top500\1cf9BH
69
? ALA
25 N
--> ? CYS
24 SG
| 2.82 3.12 97.7 85.1
70
? ALA 121 N
--> ? CYS
24 SG
| 2.33 3.32 171.3 92.4
71
? ARG 268 NH1
--> ? CYS 190 SG
| 2.86 3.30 107.4 130.5
E:\top500\1cvlH
72
A LEU 327 N
--> A CYS 353 SG
| 2.37 3.36 169.0 97.6
E:\top500\1czfAH
73
A SER 350 OG
--> A CYS 353 SG
| 2.67 3.56 148.7 110.3
E:\top500\1czfAH
74
A LEU 327 N
--> A CYS 362 SG
| 2.92 3.66 132.1 149.3
E:\top500\1czfAH
75
A ALA
43 N
--> A CYS
41 SG
| 2.27 3.22 158.7 108.4
E:\top500\1czpAH
76
A ALA
45 N
--> A CYS
41 SG
| 2.42 3.40 166.5 145.6
E:\top500\1czpAH
77
A CYS
46 N
--> A CYS
41 SG
| 3.08 3.79 122.1 135.8
E:\top500\1czpAH
78
A CYS
41 N
--> A CYS
46 SG
| 2.94 3.93 172.1 105.7
E:\top500\1czpAH
79
A THR
48 N
--> A CYS
46 SG
| 2.40 3.31 164.3 121.1
E:\top500\1czpAH
80
A CYS
41 N
--> A CYS
46 SG
| 2.85 3.84 171.3 134.0
E:\top500\1czpAH
81
A THR
78 N
--> A CYS
49 SG
| 3.03 3.40 102.9 93.8
E:\top500\1czpAH
82
A CYS
79 N
--> A CYS
49 SG
| 2.51 3.48 163.9 99.5
E:\top500\1czpAH
83
A GLY
44 N
--> A CYS
79 SG
| 2.67 3.50 140.3 150.6
84
A SER
96 OG
--> A CYS 158 SG
| 2.28 3.25 163.3 81.6
E:\top500\1dciAH
85
A LYS
160 N
--> A CYS
158 SG
| 2.94 3.86 153.7 103.5
E:\top500\1dciAH
86
A LEU
11 N
--> A CYS
9 SG
| 2.70 3.50 138.0 114.6
E:\top500\1dxgAH
87
A CYS
12 N
--> A CYS
9 SG
| 2.52 3.50 166.9 105.4
E:\top500\1dxgAH
88
A GLN
14 N
--> A CYS
12 SG
| 2.84 3.76 152.1 109.0
E:\top500\1dxgAH
89
A GLN
14 NE2
--> A CYS
28 SG
| 2.64 3.52 146.2 125.1
E:\top500\1dxgAH
90
? ASN
11 N
--> ? CYS
14 SG
| 3.05 3.86 138.5 106.9
91
? CYS
58 N
--> ? CYS
30 SG
| 2.84 3.21 102.3 86.3
E:\top500\1cv8H
E:\top500\1cv8H
E:\top500\1czpAH
E:\top500\1etnH
E:\top500\1ezmH
92 V TYR
25 OH
--> V CYS 104 SG
| 2.45 3.41 160.0 82.2
E:\top500\1fltVH
93 V TYR
25 OH
--> V CYS 104 SG
| 2.45 3.41 160.0 82.2
E:\top500\1fltYH
94
A CYS
33 N
--> A CYS
30 SG
| 2.33 3.12 135.5 111.8
E:\top500\1fvkAH
95
A SER
27 N
--> A CYS
33 SG
| 2.95 3.88 154.5 90.1
E:\top500\1fvkAH
96
? ALA
10 N
--> ? CYS
8 SG
| 2.53 3.47 158.2 109.0
E:\top500\1fxdH
97
? ALA
31 N
--> ? CYS
8 SG
| 2.65 3.55 148.9 113.5
E:\top500\1fxdH
98
? VAL
15 N
--> ? CYS
14 SG
| 2.92 3.26 100.6 84.1
99
? ALA
52 N
--> ? CYS
50 SG
E:\top500\1fxdH
| 2.69 3.48 136.2 111.8
E:\top500\1fxdH
100
? GLU
53 N
--> ?
CYS
50 SG
| 2.86 3.41 114.9 90.4
E:\top500\1fxdH
101
? ALA
54 N
--> ?
CYS
50 SG
| 2.43 3.42 170.2 112.5
E:\top500\1fxdH
102
? ARG
29 NH1
| 2.89 3.39 112.1 98.6
E:\top500\1g3pH
103
? CYS 213 N
| 2.63 3.38 132.2 102.8
E:\top500\1gaiH
104
B THR
105
? CYS 515 N
--> ? CYS 518 SG
106
A LEU
54 N
--> A CYS
52 SG
| 2.26 3.21 157.4 112.2
107
A CYS
55 N
--> A CYS
52 SG
| 2.90 3.51 119.5 88.9
108
A ASP
49 N
--> A CYS
55 SG
| 2.43 3.42 170.7 117.7
109
L VAL
83 N
--> L CYS
81 SG
| 2.44 3.27 140.5 121.2
E:\top500\1h2rLH
110
L CYS
84 N
--> L CYS
81 SG
| 2.42 3.37 160.2 118.2
E:\top500\1h2rLH
111
L HIS
88 NE2
--> L CYS 549 SG
| 2.29 3.28 171.7 120.3
E:\top500\1h2rLH
72 OG1
--> ?
CYS
46 SG
--> ? CYS 210 SG
--> B
CYS
1 SG
| 2.66 3.65 174.1 118.3
| 3.05 3.68 122.1 147.9
E:\top500\1gdoBFH
E:\top500\1gofH
E:\top500\1guqAH
E:\top500\1guqAH
E:\top500\1guqAH
112 S
GLY
19 N
--> S
CYS
17 SG
| 2.37 3.30 154.5 108.6
E:\top500\1h2rSH
113 S
VAL 120 N
--> S
CYS
114 SG
| 3.08 3.90 140.8 132.1
E:\top500\1h2rSH
114 S
ARG 193 N
--> S
CYS 191 SG
| 2.40 3.37 163.9 100.5
E:\top500\1h2rSH
115 S
TYR
218 N
--> S
CYS 216 SG
| 2.41 3.35 156.9 113.5
E:\top500\1h2rSH
116 S
GLY 224 N
--> S
CYS 222 SG
| 2.54 3.52 165.3 104.0
E:\top500\1h2rSH
117 S
CYS
249 N
--> S
CYS 222 SG
| 2.52 3.50 166.8 100.2
E:\top500\1h2rSH
118 S
GLY 251 N
--> S
CYS 249 SG
| 2.35 3.32 161.0 111.3
E:\top500\1h2rSH
119 S
--> S
CYS 252 SG
| 2.38 3.29 150.9 106.5
E:\top500\1h2rSH
| 2.37 3.29 152.5 114.5
E:\top500\1hfeSLH
CYS
150 N
120
L GLY
37 N
121
L HIS
122
L THR
40 N
--> L CYS
38 SG
| 2.56 3.55 170.5 104.4
E:\top500\1hfeSLH
123
L THR
40 OG1
--> L CYS
38 SG
| 2.24 3.21 163.2 108.2
E:\top500\1hfeSLH
124
L SER
42 N
--> L CYS
41 SG
| 2.75 3.22 108.9 83.8
125
L THR
47 N
--> L CYS
45 SG
| 2.78 3.71 154.8 108.4
126
L ALA
48 N
--> L CYS
45 SG
| 3.12 3.57 109.2 87.4
127
L ALA
49 N
--> L CYS
45 SG
| 2.36 3.33 163.4 122.1
E:\top500\1hfeSLH
128
L ASN
68 N
--> L CYS
66 SG
| 2.36 3.33 162.8 109.7
E:\top500\1hfeSLH
129
L GLN
71 N
--> L CYS
69 SG
| 2.43 3.43 174.8 102.8
130
L LEU
73 N
--> L CYS
72 SG
| 2.49 3.04 114.3 85.1
131
L GLU
78 N
--> L CYS
76 SG
| 2.60 3.45 142.3 112.5
132
L ASN
79 N
--> L CYS
76 SG
| 3.09 3.50 105.5 93.7
133
L ALA
80 N
--> L CYS
76 SG
| 2.30 3.29 169.8 116.7
E:\top500\1hfeSLH
134
L GLY 181 N
--> L CYS 179 SG
| 2.81 3.53 129.5 112.0
E:\top500\1hfeSLH
135
L TRP 182 N
--> L CYS 179 SG
| 2.41 3.36 157.9 102.5
E:\top500\1hfeSLH
58 N
--> L CYS
--> L CYS
35 SG
35 SG
| 2.37 3.29 152.4 97.2
E:\top500\1hfeSLH
E:\top500\1hfeSLH
E:\top500\1hfeSLH
E:\top500\1hfeSLH
E:\top500\1hfeSLH
E:\top500\1hfeSLH
E:\top500\1hfeSLH
E:\top500\1hfeSLH
136
L ALA 377 N
--> L CYS 179 SG
| 2.40 3.38 166.3 119.1
E:\top500\1hfeSLH
137
L ALA 236 N
--> L CYS 234 SG
| 2.72 3.26 113.9 116.8
E:\top500\1hfeSLH
138
L LYS
--> L CYS 234 SG
| 2.56 3.32 132.3 98.8
139
L GLN
71 NE2
--> L CYS 378 SG
| 2.51 3.18 124.6 94.3
140
B SER
47 OG
--> B
CYS
| 3.19 3.87 126.6 160.1
141
B
--> B
CYS 212 SG
| 2.66 3.62 160.5 82.6
E:\top500\1htrH
142
? GLN
--> ?
CYS
| 2.62 3.28 123.2 88.6
E:\top500\1iabH
143
A GLN
144
A ILE
145
A VAL
146
A ILE
147
A ALA
57 N
--> A CYS
148
? ASN
47 N
--> ?
CYS
89 SG
| 2.57 3.48 151.5 104.2
E:\top500\1jerH
149
? VAL
91 N
--> ? CYS
89 SG
| 2.50 3.49 169.4 110.0
E:\top500\1jerH
150
A GLY
36 N
--> A CYS
35 SG
| 2.51 3.15 121.6 81.5
E:\top500\1kp6H
151
A CYS
37 N
--> A CYS
53 SG
| 3.06 3.39 100.8 144.6
E:\top500\1kveABH
152
A GLN
26 NE2
--> B
CYS 190 SG
| 2.95 3.45 111.8 153.0
E:\top500\1kveABH
153
? ARG 321 NH1
--> ?
CYS
344 SG
| 2.71 3.66 160.0 113.6
E:\top500\1lamH
154
? ARG
--> ?
CYS
3 SG
| 2.58 3.20 120.1 132.5
E:\top500\1lbuH
155
? SER
139 N
--> ? CYS
94 SG
| 2.53 3.53 174.3 116.0
E:\top500\1lbuH
156
? SER
139 OG
--> ?
94 SG
| 2.34 3.34 175.6 163.0
E:\top500\1lbuH
157
A LYS
137 N
--> A CYS 141 SG
| 2.99 3.92 154.8 143.5
E:\top500\1m6pAH
158
A ASN 120 N
--> A CYS 153 SG
| 2.81 3.31 111.6 155.5
E:\top500\1m6pAH
159
? ARG 147 NH1
--> ?
| 2.44 3.36 152.1 122.1
E:\top500\1munH
160
? LEU 204 N
--> ? CYS 202 SG
| 2.45 3.43 166.2 100.7
E:\top500\1munH
161
? ALA 210 N
--> ?
CYS 208 SG
| 3.02 3.55 114.2 116.0
E:\top500\1munH
162
? ALA 211 N
--> ?
CYS 208 SG
| 2.42 3.38 162.3 97.4
163
? ASN
96 N
--> ?
CYS 136 SG
| 2.65 3.63 166.4 111.0
164
? TYR
80 N
--> ?
CYS
79 SG
| 3.10 3.43 100.8 81.3
165
? ASN
4N
--> ?
CYS
7 SG
| 2.74 3.43 126.7 131.2
166
A ASN
47 N
--> A CYS
112 SG
| 2.67 3.53 145.0 107.6
E:\top500\1nwpAH
167
A PHE 114 N
--> A CYS
112 SG
| 2.68 3.61 155.9 112.6
E:\top500\1nwpAH
168
? ASN
12 ND2
--> ? CYS
2 SG
| 3.05 3.72 125.3 157.9
E:\top500\1penH
169
? ASN
12 ND2
--> ? CYS
8 SG
| 2.90 3.50 119.3 103.9
E:\top500\1penH
170
? CYS
56 N
--> ? CYS
51 SG
| 2.80 3.36 116.0 150.2
E:\top500\1pgsH
171
? ARG 210 NH2
--> ?
204 SG
| 3.03 3.37 101.1 148.4
E:\top500\1pgsH
172
? ARG 248 N
--> ? CYS 231 SG
| 3.10 3.97 146.0 138.5
E:\top500\1pgsH
173
? ASN
38 N
--> ?
| 2.56 3.50 156.8 102.4
E:\top500\1plcH
174
A TYR
27 OH
--> A CYS 140 SG
| 2.51 3.41 149.8 89.0
E:\top500\1qddH
175
A THR
47 OG1
--> A CYS
48 SG
| 2.48 3.41 153.6 94.3
E:\top500\1qftAH
176
A THR 166 N
--> A CYS 169 SG
| 2.50 3.44 155.5 115.5
E:\top500\1qftAH
177
B ARG
21 N
--> B
CYS
19 SG
| 2.55 3.45 149.0 108.5
E:\top500\1qgwBDH
178
A TYR
63 N
--> A CYS
61 SG
| 2.72 3.46 131.4 93.4
179
A ALA
64 N
--> A CYS
61 SG
| 2.58 3.51 155.1 116.6
237 N
TRP 302 NE1
80 N
27 N
59 N
42 N
43 N
25 NH2
--> A CYS
--> A CYS
--> A CYS
--> A CYS
CYS
CYS
CYS
CYS
45 SG
84 SG
25 SG
25 SG
40 SG
40 SG
55 SG
192 SG
84 SG
| 2.44 3.42 167.2 106.6
| 2.59 3.54 157.6 102.4
| 2.50 3.39 148.0 114.2
| 3.19 3.82 121.8 82.2
| 2.54 3.48 155.6 105.8
E:\top500\1hfeSLH
E:\top500\1hfeSLH
E:\top500\1htrH
E:\top500\1isuAH
E:\top500\1isuAH
E:\top500\1isuAH
E:\top500\1isuAH
E:\top500\1isuAH
E:\top500\1munH
E:\top500\1nifH
E:\top500\1nkrH
E:\top500\1notH
E:\top500\1qh8AH
E:\top500\1qh8AH
180
A GLY 184 N
--> A CYS 153 SG
| 3.18 3.77 119.2 101.6
E:\top500\1qh8AH
181
A PHE 185 N
--> A CYS 153 SG
| 3.07 3.68 120.3 116.2
E:\top500\1qh8AH
182
A SER
276 N
--> A CYS 273 SG
| 2.42 3.41 170.4 117.7
E:\top500\1qh8AH
183
A SER
276 OG
--> A CYS 273 SG
| 2.22 3.21 168.6 80.5
E:\top500\1qh8AH
184
A SER
115 N
--> A CYS
113 SG
| 2.58 3.45 145.4 118.6
E:\top500\1qj4H
185
A SER
115 OG
--> A CYS
113 SG
| 2.15 3.06 151.5 166.9
E:\top500\1qj4H
186
A TYR
81 N
--> A CYS
71 SG
| 2.57 3.57 174.8 115.6
E:\top500\1qjdH
187
A CYS
20 N
--> A CYS
17 SG
| 2.85 3.27 105.9 97.9
E:\top500\1qupAH
188
A CYS
17 N
--> A CYS
20 SG
| 2.49 3.22 129.5 101.1
189
? VAL
8N
--> ? CYS
6 SG
| 2.66 3.55 147.4 104.6
190
? CYS
9N
--> ? CYS
6 SG
| 2.61 3.57 160.1 95.1
191
? TYR
11 N
--> ?
CYS
9 SG
| 2.50 3.47 162.5 112.3
E:\top500\1rb9H
192
? VAL
41 N
--> ? CYS
39 SG
| 2.70 3.56 145.0 108.1
E:\top500\1rb9H
193
? CYS
42 N
--> ? CYS
39 SG
| 2.73 3.61 147.9 88.4
194
? ALA
44 N
--> ?
42 SG
| 2.58 3.50 153.3 113.7
195
? HIS 141 N
196
? TYR 165 OH
--> ? CYS 139 SG
| 2.17 3.07 148.2 103.2
197
? CYS 160 N
--> ? CYS 158 SG
198
A CYS
50 N
--> A CYS
199
B GLN
192 N
200
? LYS
201
? THR 143 N
--> ?
CYS 141 SG
| 2.57 3.56 175.8 114.5
E:\top500\1smdH
202
? THR 143 OG1
--> ? CYS 141 SG
| 2.07 3.02 157.2 157.9
E:\top500\1smdH
203
? THR 143 OG1
--> ? CYS 160 SG
| 2.77 3.61 141.4 105.7
E:\top500\1smdH
204
A CYS
246 N
--> A CYS 218 SG
| 2.66 3.38 128.5 116.2
E:\top500\1smlH
205
A THR
56 N
--> A CYS
59 SG
| 2.84 3.75 151.8 95.0
E:\top500\1tgxAH
206
? TYR
11 OH
--> ? CYS
9 SG
| 3.01 3.78 134.3 103.4
E:\top500\1thvH
207
? ASN 104 ND2
--> ? CYS 126 SG
| 2.73 3.73 174.6 109.4
E:\top500\1thvH
208
? TYR
--> ? CYS 204 SG
| 2.65 3.64 168.8 175.1
E:\top500\1thvH
209
? CYS 267 N
--> ? CYS 232 SG
| 2.85 3.28 107.0 134.9
E:\top500\1tmlH
210
A GLY
--> A CYS
211
? LEU 370 N
212
? ARG 397 NH1
--> ?
CYS
213
A SER
30 N
--> A CYS
214
A ILE
178 N
215
A CYS
179 N
216
A CYS
217
218
142 N
11 OH
57 N
CYS
--> ? CYS
--> B
E:\top500\1rb9H
E:\top500\1rb9H
E:\top500\1rb9H
E:\top500\1rb9H
| 2.56 3.53 165.9 100.6
E:\top500\1rieH
E:\top500\1rieH
| 2.93 3.83 149.7 109.1
E:\top500\1rieH
87 SG
| 2.61 3.24 121.3 94.7
E:\top500\1sluH
CYS 191 SG
| 2.51 3.20 125.7 80.6
E:\top500\1sluH
--> ? CYS
10 SG
115 SG
| 3.07 3.32 95.8 82.2
E:\top500\1smdH
| 2.71 3.71 171.4 144.7
E:\top500\1ttbAH
E:\top500\1uaeH
115 SG
| 2.81 3.39 117.8 98.9
E:\top500\1uaeH
28 SG
| 3.18 3.82 123.3 116.7
E:\top500\1vcaAH
--> A CYS 176 SG
| 2.41 3.35 156.0 108.7
E:\top500\1vfyH
--> A CYS 176 SG
| 2.59 3.57 166.1 92.3
E:\top500\1vfyH
200 N
--> A CYS 176 SG
| 2.42 3.37 159.3 85.4
E:\top500\1vfyH
A LYS
181 N
--> A CYS 179 SG
| 2.84 3.81 165.4 97.4
E:\top500\1vfyH
A SER
194 N
--> A CYS 192 SG
| 2.50 3.37 145.4 112.0
219
A CYS
195 N
--> A CYS 192 SG
| 2.43 3.41 165.5 99.1
E:\top500\1vfyH
220
A CYS
222 N
--> A CYS 192 SG
| 2.30 3.25 158.6 87.0
E:\top500\1vfyH
221
A GLY 197 N
--> A CYS 195 SG
| 2.62 3.61 168.6 105.3
222
A GLU
--> A CYS 200 SG
| 2.96 3.54 117.9 92.1
E:\top500\1vfyH
223
A HIS
| 2.78 3.57 136.2 112.7
E:\top500\1vfyH
203 N
CYS
141 SG
| 3.16 4.02 144.4 115.2
202 N
--> ?
139 SG
E:\top500\1qupAH
--> A CYS 200 SG
E:\top500\1vfyH
E:\top500\1vfyH
224
A SER
224 N
--> A CYS 222 SG
| 3.06 3.68 121.1 90.4
225
A CYS
225 N
--> A CYS 222 SG
| 2.45 3.42 165.2 122.9
226
A SER
194 OG
--> A CYS 225 SG
| 2.40 3.32 152.6 89.7
227
A GLU
116 N
--> A CYS
66 SG
| 3.08 3.63 115.8 127.6
E:\top500\1vsrH
228
A CYS
117 N
--> A CYS
66 SG
| 2.72 3.57 143.3 145.1
E:\top500\1vsrH
229
A LEU
75 N
--> A CYS
73 SG
| 2.51 3.44 153.4 98.5
E:\top500\1vsrH
230
A CYS
214 N
--> A CYS
214 SG
| 2.85 3.19 100.8 89.2
E:\top500\1xikAH
231
? ASN 132 N
--> ?
232
? CYS 133 N
--> ? CYS 130 SG
| 2.40 3.38 166.2 98.2
233
? ALA 135 N
--> ?
CYS 133 SG
| 2.58 3.51 154.9 110.6
E:\top500\1zinH
234
? TYR 137 OH
--> ? CYS 150 SG
| 2.30 3.27 164.0 99.4
E:\top500\1zinH
235
? LYS
150 SG
| 2.65 3.40 132.6 115.2
E:\top500\1zinH
236
? CYS 153 N
--> ? CYS 150 SG
| 2.64 3.57 155.7 96.0
237
? GLY 155 N
--> ? CYS 153 SG
| 2.33 3.23 148.5 109.4
238
? ALA 163 N
--> ?
25 SG
| 2.39 3.34 160.0 97.4
E:\top500\2actH
239
? CYS 206 N
--> ? CYS 156 SG
| 3.01 3.28 96.9 131.3
E:\top500\2actH
240
L LEU
--> L CYS
| 3.20 3.87 125.9 106.5
241
L ASN
90 ND2
--> L CYS
23 SG
| 2.78 3.45 125.3 140.1
E:\top500\2bbkLH
242
L CYS
29 N
--> L CYS
61 SG
| 2.91 3.64 130.1 109.0
E:\top500\2bbkLH
243
L ASN
90 ND2
--> L CYS
88 SG
| 2.79 3.12 100.1 140.3
E:\top500\2bbkLH
244
? ASN
40 N
--> ?
CYS
79 SG
| 2.77 3.72 158.4 101.0
E:\top500\2cbpH
245
? PHE
81 N
--> ? CYS
79 SG
| 2.78 3.77 172.5 111.3
E:\top500\2cbpH
246
? GLY 359 N
--> ? CYS 357 SG
| 2.52 3.25 129.0 111.9
E:\top500\2cppH
247
A GLY 115 N
--> A CYS 149 SG
| 2.56 3.50 156.8 104.5
E:\top500\2cuaAH
248
A GLN
--> A CYS 149 SG
| 2.70 3.67 165.5 110.5
E:\top500\2cuaAH
249
? TRP
250
? SER
251
252
152 N
89 N
151 N
9 NE1
CYS 130 SG
--> ? CYS
23 SG
E:\top500\1vfyH
E:\top500\1vfyH
E:\top500\1zinH
E:\top500\1zinH
E:\top500\1zinH
E:\top500\1zinH
E:\top500\2bbkLH
CYS
11 SG
| 2.94 3.60 125.0 106.5
E:\top500\2engH
10 N
--> ? CYS
8 SG
| 2.49 3.37 146.0 109.0
E:\top500\2fdnH
? TYR
30 N
--> ?
CYS
8 SG
| 2.62 3.56 156.5 120.4
E:\top500\2fdnH
? ALA
13 N
--> ?
CYS
11 SG
| 2.43 3.41 168.0 109.1
E:\top500\2fdnH
253
? VAL
20 N
--> ? CYS
18 SG
| 2.62 3.55 155.0 106.4
E:\top500\2fdnH
254
? ASN
21 N
--> ?
CYS
18 SG
| 3.11 3.49 104.0 83.6
255
? ALA
22 N
--> ?
CYS
18 SG
| 2.31 3.31 171.0 103.5
E:\top500\2fdnH
256
? TYR
2N
--> ?
CYS
37 SG
| 2.35 3.34 170.0 118.4
E:\top500\2fdnH
257
? ASP
39 N
--> ? CYS
37 SG
| 2.54 3.48 157.6 114.6
E:\top500\2fdnH
258
? ALA
42 N
--> ?
CYS
40 SG
| 2.36 3.33 162.8 108.1
E:\top500\2fdnH
259
? ALA
44 N
--> ?
CYS
43 SG
| 2.75 3.32 116.6 81.8
260
? VAL
49 N
--> ? CYS
47 SG
| 2.72 3.57 143.2 109.1
261
? ASP
50 N
--> ? CYS
47 SG
| 2.89 3.33 107.3 82.9
262
? ALA
51 N
--> ?
CYS
47 SG
| 2.33 3.33 176.0 105.6
E:\top500\2fdnH
263
? CYS 114 N
--> ?
CYS
62 SG
| 2.39 3.27 145.9 107.6
E:\top500\2ilkH
264
? GLN
--> ? CYS
88 SG
| 2.77 3.40 121.7 116.6
E:\top500\2mcmH
265
? ASP 211 N
266
? TYR
100 OH
267
? GLU
49 N
35 NE2
--> ?
CYS
| 2.42 3.28 142.7 114.1
E:\top500\1vfyH
--> ? CYS
206 SG
| 3.13 3.60 110.6 128.7
--> ? CYS 129 SG
| 3.16 3.32 90.2 82.9
--> ?
| 3.20 4.02 139.9 145.6
CYS
29 SG
E:\top500\2fdnH
E:\top500\2fdnH
E:\top500\2fdnH
E:\top500\2fdnH
E:\top500\2myrH
E:\top500\2qwcH
E:\top500\2sn3H
268
? CYS
29 N
--> ? CYS
29 SG
| 2.93 3.38 108.4 101.1
269
? LEU
17 N
--> ? CYS
7 SG
| 2.52 3.36 141.3 91.2
270
? CYS
16 N
--> ? CYS
78 SG
| 3.11 3.58 110.2 131.4
271
A CYS
35 N
--> A CYS
32 SG
| 2.42 3.23 138.1 114.1
E:\top500\2trxAH
272
A SER
48 N
--> A CYS
46 SG
| 2.54 3.50 160.8 103.8
E:\top500\3btoAH
273
A ARG 369 NH2
| 3.13 3.55 106.4 83.3
E:\top500\3btoAH
274
A LYS
99 N
| 2.31 3.30 173.0 108.0
E:\top500\3btoAH
275
A CYS
100 N
276
A VAL 102 N
--> A CYS 100 SG
| 2.96 3.68 129.8 89.8
277
A CYS
103 N
--> A CYS 100 SG
| 2.40 3.36 160.7 114.1
E:\top500\3btoAH
278
A LEU 112 N
--> A CYS 100 SG
| 2.44 3.44 173.8 116.3
E:\top500\3btoAH
279
A CYS
97 N
--> A CYS 103 SG
| 3.03 3.52 111.4 141.0
E:\top500\3btoAH
280
A GLY
98 N
--> A CYS 103 SG
| 2.32 3.27 157.2 87.0
281
A CYS
97 N
--> A CYS
111 SG
| 2.49 3.48 167.3 108.5
E:\top500\3btoAH
282
A LYS
113 N
--> A CYS
111 SG
| 2.33 3.33 172.3 104.2
E:\top500\3btoAH
283
D THR
15 OG1
--> D
CYS
9 SG
| 3.13 3.56 107.4 94.9
284
D THR
15 OG1
--> D
CYS
9 SG
| 2.90 3.22 99.7 85.5
285
? SER
286
? THR 339 OG1
--> ? CYS
63 SG
| 2.51 3.48 163.1 159.5
E:\top500\3grsH
287
? CYS 291 N
--> ? CYS 344 SG
| 2.61 3.48 144.8 131.6
E:\top500\3pteH
288
? ASP
97 N
--> ? CYS
69 SG
| 2.87 3.54 154.6 107.4
E:\top500\3pypH
289
? ASP
97 N
--> ? CYS
69 SG
| 2.61 3.54 153.6 107.2
E:\top500\3pypH
290
? CYS
69 N
--> ? CYS
69 SG
| 2.76 3.18 111.8 103.3
E:\top500\3pypH
291
? CYS
69 N
--> ? CYS
69 SG
| 2.75 3.18 106.6 100.1
E:\top500\3pypH
292
? ASP
97 N
--> ? CYS
69 SG
| 2.46 3.18 175.0 93.1
E:\top500\3pypH
293
? ASP
97 N
--> ? CYS
69 SG
| 2.19 3.18 174.8 92.3
E:\top500\3pypH
294
? TYR
98 N
--> ?
69 SG
| 2.86 3.45 118.2 135.8
295
? SER
148 N
--> ? CYS 210 SG
| 3.11 3.66 116.2 98.2
296
? GLY 207 N
--> ? CYS 238 SG
| 3.09 3.54 108.6 104.5
E:\top500\6celH
297
? CYS 210 N
--> ? CYS 256 SG
| 3.06 3.65 118.8 136.1
E:\top500\6celH
298
A LEU
32 N
--> A CYS
8 SG
| 2.67 3.61 156.2 128.4
299
A VAL
17 N
--> A CYS
16 SG
| 2.90 3.28 103.3 81.8
300
A VAL
22 N
--> A CYS
20 SG
| 2.89 3.75 144.5 105.8
301
A ASP
23 N
--> A CYS
20 SG
| 3.00 3.47 109.5 91.1
302
A CYS
24 N
--> A CYS
20 SG
| 2.59 3.58 172.1 122.2
E:\top500\7fd1H
303
A PHE
2N
--> A CYS
39 SG
| 2.42 3.36 157.8 111.3
E:\top500\7fd1H
304
A ASP
41 N
--> A CYS
39 SG
| 2.46 3.38 153.4 107.4
E:\top500\7fd1H
305
A LEU
44 N
--> A CYS
42 SG
| 2.52 3.50 165.4 104.3
E:\top500\7fd1H
306
A ALA
51 N
--> A CYS
49 SG
| 2.67 3.37 127.0 109.7
E:\top500\7fd1H
307
A GLN
52 N
--> A CYS
49 SG
| 3.03 3.41 104.1 86.2
308
A ALA
53 N
--> A CYS
49 SG
| 2.38 3.38 172.5 103.9
309
A GLY 113 N
--> A CYS
117 SG
57 N
--> A CYS
46 SG
--> A CYS
97 SG
--> A CYS
97 SG
--> ? CYS
HB_catcher v1.0 (Zhou et al. 2008)
CYS
60 SG
| 2.59 3.37 134.7 154.0
| 2.63 3.60 167.3 95.8
| 2.80 3.70 149.6 96.3
E:\top500\2sn3H
E:\top500\2tgiH
E:\top500\2tgiH
E:\top500\3btoAH
E:\top500\3btoAH
E:\top500\3btoAH
E:\top500\3chbDH
E:\top500\3chbDH
E:\top500\3ebxH
E:\top500\3pypH
E:\top500\6celH
E:\top500\7fd1H
E:\top500\7fd1H
E:\top500\7fd1H
E:\top500\7fd1H
E:\top500\7fd1H
E:\top500\7fd1H
E:\top500\9wgaAH
Methionine sulfur atoms served as H-bond acceptor (Met←X).
<---DONOR--->
chain res
<-ACCEPTOR-->
res atom chain res res atom
num
bond_length
num
ψ
φ
PDB
64 ND2
2
A TYR
38 OH
3
? THR 368 OG1
4
? GLY
5
? GLN
6
A ARG 329 NH1
--> A MET 333 SD
| 2.71 3.32 119.2 91.6 94.0
E:\top500\1ajsAH
7
A SER
--> A MET 389 SD
| 2.26 3.25 171.4 97.0 132.7
E:\top500\1ajsAH
8
? TYR 135 OH
--> ? MET
| 2.61 3.45 142.3 125.3 145.3
E:\top500\1akoH
9
? LYS
--> ? MET
125 NE2
37 SD
--> ? MET 127 SD
361 OG
416 NZ
36 SD
--> ? MET 350 SD
93 SD
--> ? MET 421 SD
|
θ
? ASN
--> A MET
61 SD
D
1
41 N
--> ? MET
d
bond_angle
2.79 3.61 140.2 111.2 134.9
E:\top500\451cH
| 2.45 3.45 177.1 143.9 148.3
E:\top500\1a2zAH
| 2.25 3.25 178.0 135.4 136.1
E:\top500\1a8iH
| 2.91 3.78 146.2 104.7 163.5
E:\top500\1abaH
| 2.68 3.68 174.2 116.1 141.1 E:\top500\1ah7H
| 3.07 3.95 147.8 94.4 95.9
E:\top500\1aopH
10
? ASN
116 ND2
--> ? MET 432 SD
| 2.91 3.87 160.9 86.3 80.7
11
A HIS
226 ND1
--> A MET
60 SD
| 2.30 3.05 130.1 117.7 170.4
E:\top500\1aquAH
12
? TYR
273 OH
--> ? MET 126 SD
| 2.52 3.50 169.0 136.2 156.6
E:\top500\1aruH
13
? ARG 272 NE
--> ? MET 262 SD
| 2.78 3.57 136.4 106.2 120.2
E:\top500\1aruH
14
? ARG 272 NH2
--> ? MET 262 SD
| 2.41 3.31 150.0 100.0 117.0
E:\top500\1aruH
15
A HIS 129 N
--> A MET 136 SD
| 3.00 3.82 139.9 132.0 145.8
E:\top500\1atlACH
16
A SER 130 N
--> A MET 136 SD
| 3.13 3.93 138.1 120.8 148.6
E:\top500\1atlACH
17
A ASP 934 N
--> A MET 947 SD
| 2.87 3.61 131.5 134.1 162.0
E:\top500\1atzAH
18
A ASN
19
A GLN
20
A ASN
21
A LYS
22
A ARG 110 NH1
23
A SER 105 N
--> A MET 104 SD
| 3.11 3.55 108.4 118.2 130.4
E:\top500\1b4vH
24
A SER 341 OG
--> A MET 200 SD
| 3.04 3.46 106.7 113.8 125.9
E:\top500\1b4vH
25
A MET 147 N
--> A MET 134 SD
| 2.62 3.60 168.1 96.2 133.8
E:\top500\1b5eAH
26
? LYS
188 N
--> ? MET 191 SD
| 2.99 3.86 146.7 136.5 142.8
E:\top500\1b6aH
27
? GLY 292 N
--> ? MET 355 SD
| 2.70 3.58 148.0 161.5 170.9
E:\top500\1b6aH
28
? ALA 149 N
--> ? MET 268 SD
| 2.65 3.54 149.4 129.1 168.1
E:\top500\1b6gH
29
A CYS
--> A MET
30
A ARG 184 NE
31
B LYS
32
33
59 ND2
172 N
53 ND2
205 N
49 N
--> A MET
64 SD
E:\top500\1aopH
| 2.91 3.58 125.3 102.1 117.9
E:\top500\1auoAH
--> A MET 175 SD
| 3.09 3.98 148.0 130.7 149.4 E:\top500\1auoAH
--> A MET
| 3.17 3.82 124.4 93.8 103.6
97 SD
--> A MET 177 SD
--> A MET
41 SD
64 SD
--> A MET 188 SD
E:\top500\1b4kAH
| 2.89 3.31 106.1 105.2 177.5 E:\top500\1b4vH
| 2.83 3.66 140.7 126.1 155.4 E:\top500\1b9wH
| 3.17 3.55 104.2 120.6 153.1 E:\top500\1bd0AH
92 N
--> B MET
B THR
181 N
--> B
| 3.07 3.68 120.8 105.0 113.2
E:\top500\1bdmBH
? ASN
125 ND2
--> ? MET
87 SD
| 3.00 3.91 151.7 140.0 145.1
E:\top500\1bdoH
34
? GLN
25 NE2
--> ? MET
32 SD
| 2.85 3.71 143.5 103.9 132.4
E:\top500\1becH
35
B ASN
56 N
--> B
MET
59 SD
| 2.73 3.68 159.0 120.5 164.7 E:\top500\1bf6BH
36
B ASN
56 ND2
--> B MET
59 SD
| 3.16 3.47 99.5 159.9 165.1
37
B VAL
77 N
38
B ASN
192 N
MET 180 SD
--> B MET
--> B
95 SD
| 2.96 3.85 148.5 94.9 102.6
E:\top500\1b0uH
| 2.44 3.07 120.4 140.6 143.1
E:\top500\1bdmBH
E:\top500\1bf6BH
70 SD
| 2.34 3.32 165.9 103.8 150.9 E:\top500\1bf6BH
MET 225 SD
| 2.33 3.32 172.2 137.4 157.7 E:\top500\1bf6BH
39
? LEU
185 N
--> ? MET 321 SD
| 2.59 3.57 165.5 137.1 179.1
40
? LEU
139 N
--> ? MET 138 SD
| 3.11 3.72 120.6 80.5 64.4
41
? SER 137 OG
--> ? MET 159 SD
| 1.93 2.58 119.6 152.7 152.7
42
A ALA 140 N
--> A MET 158 SD
| 3.13 3.64 113.2 121.5 178.0
E:\top500\1bi5H
43
A ASP 141 N
--> A MET 158 SD
| 2.64 3.44 137.2 164.0 164.9
E:\top500\1bi5H
44
A ASN
26 ND2
45
? ASN
107 ND2
46
47
--> A MET 337 SD
E:\top500\1bfdH
E:\top500\1bg6H
E:\top500\1bg6H
| 2.97 3.56 118.8 154.9 159.7
E:\top500\1bi5H
--> ? MET
48 SD
| 2.98 3.91 156.5 123.6 165.4
E:\top500\1bqkH
A TRP 182 NE1
--> A MET
A LYS
141 NZ
82 SD
| 2.96 3.56 119.0 100.4 111.3
E:\top500\1bsmAH
--> A MET 163 SD
| 2.75 3.75 175.2 117.5 150.9
E:\top500\1btkAH
48
? THR
177 N
--> ? MET 180 SD
| 2.67 3.63 161.3 96.2 128.4
E:\top500\1btyH
49
? TRP 215 NE1
--> ? MET 180 SD
| 2.92 3.84 153.3 94.3 106.4
E:\top500\1btyH
50
A ASN
229 ND2
--> A MET 234 SD
| 2.53 3.48 158.2 138.5 167.6 E:\top500\1bu8H
51
A TYR
269 OH
--> A MET 234 SD
| 2.32 3.32 174.3 133.8 135.1 E:\top500\1bu8H
52
A MET 240 N
--> A MET 240 SD
| 2.15 3.03 146.6 93.9 107.4
E:\top500\1bw9AH
53
A LYS
110 NZ
--> A MET
1 SD
| 2.88 3.36 110.4 109.1 134.4
E:\top500\1c1kH
54
A ASN
323 N
--> A MET
38 SD
| 2.83 3.76 154.8 154.6 161.1 E:\top500\1c3pH
55
A ASN
323 ND2
--> A MET
38 SD
| 2.81 3.67 145.2 145.3 164.5 E:\top500\1c3pH
56
A SER
96 N
--> A MET
99 SD
| 2.65 3.58 155.7 119.0 151.5
E:\top500\1c3pH
57
A ASP
50 N
--> A MET
38 SD
| 2.73 3.64 151.6 109.8 138.6
E:\top500\1c5eAH
58
A ASN
95 ND2
59
A GLN
60
--> A MET 112 SD
| 2.73 3.65 153.7 156.9 158.1 E:\top500\1c24H
233 N
--> A MET 112 SD
| 2.45 3.44 170.0 112.5 147.4
E:\top500\1c24H
A SER
70 OG
--> A MET
| 2.42 3.09 123.9 111.6 122.3
E:\top500\1cb0H
61
? VAL
82 N
62
A SER
28 OG
--> A MET
58 SD
| 2.24 3.15 150.5 125.0 127.5 E:\top500\1ceqH
63
A MET
72 N
--> A MET
72 SD
| 2.63 3.18 114.6 100.1 122.8
64
? ASN
44 ND2
--> ? MET
26 SD
| 2.60 3.48 146.7 89.0 82.6
65
A TYR
287 OH
--> A MET 247 SD
| 2.23 3.23 178.1 123.6 177.4 E:\top500\1cipH
66
A ASN
220 ND2
--> A MET 231 SD
| 2.46 3.38 153.2 89.1 80.7 E:\top500\1cl8H
67
B ASN
297 ND2
--> B MET 266 SD
| 2.71 3.59 147.1 155.3 156.3 E:\top500\1cnzBH
68
B ARG 383 NH1
--> B
MET 400 SD
| 2.56 3.37 137.4 127.4 159.8 E:\top500\1cruAH
69
A TYR
--> A MET 299 SD
| 2.42 3.35 154.8 128.3 128.6 E:\top500\1cs1AH
70
A HIS 336 N
71
? TYR
72
A VAL
199 OH
--> ? MET
68 SD
97 SD
| 2.47 3.44 165.5 160.2 160.6
E:\top500\1cemH
E:\top500\1ceqH
E:\top500\1cgoH
--> A MET 340 SD
| 2.43 3.42 169.0 118.6 154.5
E:\top500\1cs1AH
79 OH
--> ? MET 100 SD
| 2.50 3.48 168.7 118.3 145.6
E:\top500\1cxcH
90 N
--> A MET 193 SD
| 2.87 3.81 156.6 126.3 176.6
E:\top500\1cxqH
73
A MET 150 N
--> A MET 150 SD
| 2.54 3.32 134.7 99.8 111.4
E:\top500\1czfAH
74
M MET 2199 N
--> M
MET 2199 SD
| 2.91 3.45 115.0 100.0 116.1
E:\top500\1d7pH
75
A TYR
--> A MET 295 SD
| 2.29 3.25 161.3 94.7 107.5
E:\top500\1dbgH
76
B ASN
26 ND2
77
B ASP
11 N
78
B ASN
68 ND2
--> B MET
79 P THR
62 OG1
--> P MET
80 P LYS
71 NZ
--> P MET
1 SD
| 3.01 3.39 103.8 94.8 96.0
81 P LYS
71 NZ
--> P MET
1 SD
| 3.10 3.39 98.2 88.0 84.8
82 P GLN
51 NE2
--> P MET
48 SD
| 3.00 3.34 101.2 143.0 143.2 E:\top500\1dfuPH
283 OH
--> B MET
--> B MET
22 SD
57 SD
| 3.00 3.49 111.3 135.6 136.0
E:\top500\1dbwBH
| 3.17 3.84 126.3 127.9 128.6
E:\top500\1dbwBH
60 SD
| 2.93 3.76 141.2 94.2 101.4
E:\top500\1dbwBH
1 SD
| 2.11 3.01 148.9 118.2 175.1
E:\top500\1dfuPH
E:\top500\1dfuPH
E:\top500\1dfuPH
83
? ASP
3N
--> ? MET
84
H GLY
10 N
85
A LEU 178 N
86
D ASN
87
A LEU
21 N
--> A MET
88
? THR
63 N
--> ? MET
89
A ARG
90
? HIS
43 NE2
--> ? MET
1 SD
| 2.39 3.33 156.2 142.6 150.5
E:\top500\1ervH
91
? LYS
52 NZ
--> ? MET
49 SD
| 3.16 3.73 117.3 166.6 167.7
E:\top500\1fkjH
92
? LYS
183 NZ
--> ? MET
23 SD
| 3.05 3.99 157.9 139.7 140.9
E:\top500\1fncH
93
? THR
170 OG1
94
A LYS
47 NZ
95
? TRP 183 N
--> ? MET 214 SD
| 2.83 3.54 128.1 111.0 159.5
96
? MET 222 N
--> ? MET 222 SD
| 3.00 3.19 91.5 89.9 89.6
97
? TYR
617 N
--> ? MET 233 SD
| 2.71 3.70 177.3 93.7 97.0
98
? CYS
383 N
--> ? MET 382 SD
| 3.11 3.67 116.8 117.9 130.6
99
A MET 190 N
--> H
165 ND2
10 NH1
| 2.48 3.44 161.9 123.8 143.4
E:\top500\1dhnH
18 SD
| 3.09 3.52 107.1 122.9 129.2 E:\top500\1dlfH
--> A MET 177 SD
| 3.07 3.45 103.5 108.1 133.8 E:\top500\1dozH
--> D
MET
1 SD
MET
--> A MET
65 SD
19 SD
66 SD
12 SD
| 3.11 3.59 110.7 140.7 149.4
E:\top500\1dpsDH
| 2.76 3.72 160.1 142.3 167.6 E:\top500\1dvjAH
| 2.71 3.63 153.0 91.1 144.5
E:\top500\1edgH
| 2.82 3.66 141.9 127.4 160.7 E:\top500\1egwAH
--> ? MET 277 SD
| 2.53 3.51 165.9 105.9 156.0
E:\top500\1fncH
--> A MET
| 3.05 4.01 161.2 97.3 168.4
E:\top500\1fvkAH
56 SD
--> A MET 190 SD
E:\top500\1gcaH
E:\top500\1gciH
E:\top500\1gofH
E:\top500\1gofH
| 2.40 3.11 127.7 99.2 124.6
E:\top500\1gpeAH
100
A TRP 450 NE1
--> A MET 253 SD
| 2.71 3.38 124.6 120.5 175.2 E:\top500\1gpeAH
101
A ASN 111 ND2
--> A MET 565 SD
| 2.25 3.19 156.7 95.1 138.1
102
L LYS
332 NZ
--> L MET 333 SD
| 2.83 3.56 130.9 133.3 136.4 E:\top500\1h2rLH
103
L LYS
328 NZ
--> L MET 379 SD
| 2.71 3.66 159.9 135.3 136.6 E:\top500\1h2rLH
E:\top500\1gpeAH
104 S
GLY
3N
--> S
MET
2 SD
| 1.97 2.64 121.3 99.7 175.6
105 S
SER
66 OG
--> S
MET
2 SD
| 3.03 3.95 155.0 104.2 109.0 E:\top500\1h2rSH
106 S
HIS
45 N
--> S
MET
49 SD
E:\top500\1h2rSH
| 2.69 3.65 160.8 114.9 175.5
E:\top500\1h2rSH
107
? GLU
2N
--> ?
MET
1 SD
| 2.84 3.28 107.4 90.0 90.0 E:\top500\1hclH
108
? ASN
3N
--> ?
MET
1 SD
| 2.30 3.29 173.4 154.2 171.4 E:\top500\1hclH
109
? ASN
3 ND2
--> ? MET
1 SD
| 1.97 2.97 172.7 128.1 130.2 E:\top500\1hclH
MET 160 SD
| 2.53 3.48 158.6 126.4 162.8 E:\top500\1hfcH
110
? ALA 157 N
111
? ARG 144 NH1
--> ?
--> ? MET 142 SD
| 2.83 3.19 101.4 107.4 175.9 E:\top500\1hkaH
112
? ARG 144 NH1
--> ?
MET 142 SD
| 2.82 3.19 102.6 125.7 140.8 E:\top500\1hkaH
113
B ASN
111 ND2
--> B
MET
| 3.19 3.81 121.2 166.3 177.1 E:\top500\1htrH
114
? ASN
104 ND2
--> ? MET
115
? GLY 469 N
116
10 SD
84 SD
| 3.10 3.83 131.6 138.8 149.8 E:\top500\1jerH
--> ?
MET 171 SD
| 2.96 3.73 134.2 126.6 138.4 E:\top500\1lamH
? MET 274 N
--> ?
MET 274 SD
| 2.78 3.46 125.8 102.5 105.0 E:\top500\1lamH
117
? GLY
--> ?
MET
| 2.46 3.42 160.5 92.3 119.8
118
B ASN
119
B GLN
232 N
120
? ASN
77 ND2
--> ? MET
121
? THR
15 N
--> ?
122
? GLN
63 NE2
--> ? MET 121 SD
| 2.66 3.55 148.5 137.8 171.7 E:\top500\1mlaH
123
? TRP 172 NE1
--> ?
| 2.29 3.23 156.1 128.3 175.3 E:\top500\1mmlH
124
B ASN 221 ND2
125
? MET 246 N
--> ?
MET 246 SD
| 2.64 3.11 108.9 116.4 138.6
126
? THR
--> ?
MET
| 2.75 3.66 152.5 96.2 133.7
59 N
9 ND2
18 N
81 SD
--> B
MET
--> B
MET 302 SD
--> B
MET
24 SD
E:\top500\1lclH
| 2.47 3.43 160.7 104.8 151.2 E:\top500\1lucBH
| 2.70 3.61 151.7 116.0 164.0
E:\top500\1lucBH
87 SD
| 2.67 3.62 157.7 117.6 134.1
E:\top500\1mbaH
18 SD
| 2.97 3.88 151.9 109.4 135.5 E:\top500\1mlaH
MET 177 SD
MET 206 SD
21 SD
| 2.51 3.43 153.0 139.2 159.1 E:\top500\1mpgBH
E:\top500\1mrjH
E:\top500\1msiH
127
? MET
56 N
128
? SER 1178 OG
129
B ARG
76 NH1
--> B
MET 103 SD
| 2.68 3.60 154.0 104.6 107.0 E:\top500\1nulBH
130
B ARG 154 NH2
--> B
MET 222 SD
| 2.98 3.67 127.7 83.0 65.2 E:\top500\1nzyBH
131
A LYS
132
? ILE
39 N
133
A HIS
322 NE2
--> A MET 357 SD
| 2.72 3.70 168.9 160.4 166.5 E:\top500\1qe3H
134
A LEU
63 N
--> A MET 140 SD
| 2.66 3.63 163.5 108.6 163.1 E:\top500\1qgiH
135
A TYR
61 OH
--> A MET
| 2.58 3.39 137.9 147.4 172.6 E:\top500\1qgqH
136
A VAL
31 N
--> A MET
14 SD
| 3.13 3.52 105.1 131.1 132.8 E:\top500\1qh5AH
137
A GLN
32 N
--> A MET
14 SD
| 2.63 3.63 174.5 141.5 164.4 E:\top500\1qh5AH
138
A GLY 225 N
--> A MET 277 SD
| 3.13 3.49 103.2 154.7 169.4 E:\top500\1qh8AH
139
A ASN 269 ND2
--> A MET 284 SD
| 2.63 3.53 149.9 93.3 101.2
E:\top500\1qh8AH
140
A TYR 352 N
--> A MET 353 SD
| 3.03 3.57 115.2 161.1 170.7
E:\top500\1qh8AH
141
A TYR 365 OH
--> A MET 461 SD
| 2.38 3.38 173.7 120.0 154.5 E:\top500\1qh8AH
142
A ARG 437 NH1
--> A MET 463 SD
| 2.88 3.65 133.9 133.6 177.5 E:\top500\1qh8AH
143
B ALA 337 N
--> B
MET 243 SD
144
B TRP 292 NE1
--> B
MET 373 SD
145
A TRP 128 NE1
--> A MET 122 SD
| 3.14 3.65 113.1 104.4 108.5
146
A LEU
--> A MET
| 2.26 3.20 157.9 159.7 168.8 E:\top500\1qjdH
147
A MET 507 N
--> A MET 507 SD
| 3.08 3.47 104.7 82.3 51.7 E:\top500\1qjdH
148
A ARG 544 N
--> A MET 507 SD
| 3.14 3.92 136.5 87.3 58.4 E:\top500\1qjdH
149
A PHE 211 N
--> A MET 210 SD
| 2.93 3.63 128.5 95.6 101.3
150
A ARG 143 NE
--> A MET 139 SD
| 2.77 3.43 124.1 93.9 99.8 E:\top500\1qksAH
151
A MET 301 N
--> A MET 301 SD
| 2.40 3.17 133.3 82.1 11.4
E:\top500\1qlwAH
152
A LYS
--> A MET 180 SD
| 2.42 3.40 163.9 110.2 173.9
E:\top500\1qnjH
153
A TRP 147 NE1
--> A MET 158 SD
| 2.49 3.38 147.3 86.2 49.7 E:\top500\1qq4H
154
A ALA 117 N
--> A MET 120 SD
| 2.91 3.85 156.7 129.1 147.2 E:\top500\1qq5AH
155
A MET 135 N
--> A MET 135 SD
| 2.38 3.22 140.4 122.4 129.7 E:\top500\1qreH
156
A PHE 181 N
--> A MET 107 SD
| 2.69 3.65 161.5 160.0 170.8 E:\top500\1qrrH
157
A GLN
468 NE2
--> A MET 472 SD
| 2.60 3.51 152.3 136.4 169.8 E:\top500\1qsaH
158
A ARG 839 NH1
--> A MET 831 SD
| 2.61 3.51 149.2 105.5 131.6 E:\top500\1qtsH
159
A GLN
913 NE2
--> A MET 860 SD
| 3.18 3.39 93.4 126.8 144.2
160
A GLN
98 NE2
--> A MET
95 SD
| 2.72 3.71 168.1 113.0 136.5
161
A ARG 188 NH1
--> A MET
95 SD
| 2.54 3.33 135.9 130.9 177.2 E:\top500\1qusH
162
A GLN
303 NE2
--> A MET 274 SD
| 2.81 3.54 130.1 124.2 150.3 E:\top500\1qusH
163
A GLN
350 NE2
--> A MET 346 SD
| 3.00 3.65 123.2 121.0 142.4 E:\top500\1qusH
164
? ARG 110 NE
--> ? MET 114 SD
| 2.64 3.58 155.9 107.4 134.6 E:\top500\1rhsH
165
? LYS
--> ? MET 231 SD
| 3.14 3.71 117.3 114.2 146.0
E:\top500\1rhsH
166
B THR 177 N
--> B
MET 180 SD
| 2.93 3.74 138.4 97.8 115.1
E:\top500\1sluH
167
B TRP 215 NE1
--> B
MET 180 SD
| 3.13 3.96 141.5 92.7 99.1 E:\top500\1sluH
168
? HIS
15 ND1
--> ? MET 339 SD
| 2.82 3.48 124.2 152.9 154.2 E:\top500\1smdH
169
? SER
340 N
--> ? MET 339 SD
| 2.94 3.60 124.0 86.0 74.4 E:\top500\1smdH
170
A GLN
68 NZ
99 N
177 N
223 NZ
32 NE2
--> ?
MET
59 SD
--> ? MET 1171 SD
--> A MET
--> ? MET
--> A MET
69 SD
57 SD
87 SD
79 SD
21 SD
| 2.53 3.50 164.0 107.0 148.5 E:\top500\1msiH
| 2.53 3.47 156.9 103.7 120.1
E:\top500\1mskH
| 2.72 3.66 155.8 95.4 100.7
E:\top500\1pcfAH
| 2.76 3.63 146.1 112.5 141.5
E:\top500\1plcH
| 2.87 3.77 149.5 146.5 176.2 E:\top500\1qh8BH
| 2.67 3.44 133.6 125.7 129.8 E:\top500\1qh8BH
E:\top500\1qj4H
E:\top500\1qk5AH
E:\top500\1qtsH
E:\top500\1qusH
| 2.64 3.61 162.9 128.9 168.2 E:\top500\1smlH
171
A MET
172
59 SD
| 2.51 3.43 153.3 124.8 172.1 E:\top500\1smlH
A ASP 184 N
--> A MET 157 SD
| 2.62 3.46 140.6 122.5 151.0 E:\top500\1smlH
173
? GLU
101 N
--> ?
| 3.15 3.90 133.0 108.3 116.6
174
A MET
31 N
--> A MET
31 SD
| 2.39 3.26 145.2 125.7 126.3 E:\top500\1tgxAH
175
A MET
42 N
--> A MET
42 SD
| 2.39 3.12 128.4 106.7 123.9 E:\top500\1toaAH
176 1
SER
177
? GLN
178
179
56 N
79 N
--> 1
MET
MET
98 SD
82 SD
E:\top500\1stnH
| 2.94 3.91 162.4 103.2 139.9 E:\top500\1tph1H
--> ? MET 279 SD
| 3.04 3.51 109.9 144.7 145.8 E:\top500\1tyvH
? ASN 425 N
--> ?
| 2.76 3.53 134.5 153.7 154.5 E:\top500\1tyvH
? ASN 330 ND2
--> ? MET 333 SD
| 3.05 3.85 137.4 87.9 82.3
180
? ARG 391 NH1
--> ?
| 3.13 3.54 106.3 139.3 149.6
181
A THR
--> A MET
182
C ASN 102 N
183
C ARG 339 NH2
--> C
MET 367 SD
| 2.88 3.55 124.6 140.4 141.3 E:\top500\1ubpH
184
D ASN
35 ND2
--> D
MET
83 SD
| 2.69 3.54 142.3 101.2 162.2 E:\top500\1ugiDH
185
A GLN
215 NE2
--> A MET
36 SD
| 2.96 3.74 135.2 110.6 137.5
186
A ASN 304 N
--> A MET 324 SD
| 2.51 3.47 160.9 132.9 177.2 E:\top500\1uroH
187
A LEU 305 N
--> A MET 324 SD
| 3.15 3.43 97.5 143.5 144.8
188
A TYR 342 N
--> A MET 345 SD
| 2.47 3.47 173.5 111.2 166.0
189
? ASN 465 ND2
--> ? MET 394 SD
| 3.04 3.33 98.1 144.5 150.8
E:\top500\1ushH
190
? ASP 192 N
| 3.13 3.94 139.4 143.9 162.7
E:\top500\1uxyH
191
A LEU
12 N
--> A MET 180 SD
| 2.43 3.42 171.5 143.3 174.1 E:\top500\1vcaAH
192
A VAL 198 N
--> A MET 177 SD
| 2.81 3.66 143.3 128.3 138.6 E:\top500\1vfyH
193
? THR 525 N
--> ?
MET 267 SD
| 2.41 3.36 158.6 108.8 170.2 E:\top500\1vnsH
194
? ARG 310 NE
--> ? MET 439 SD
| 3.13 3.77 122.3 130.8 160.3 E:\top500\1vnsH
195
A ARG 221 NH2
196
? THR 698 N
--> ?
MET 701 SD
| 2.57 3.55 167.6 111.2 141.0
E:\top500\1xwlH
197
? MET 705 N
--> ?
MET 705 SD
| 2.85 3.51 124.2 101.9 114.0
E:\top500\1ygeH
--> I MET 343 SD
| 2.46 3.45 173.0 112.9 137.9
E:\top500\1yveIH
198 I ASN
233 NE2
--> A MET
52 N
351 ND2
--> C
MET 448 SD
MET 366 SD
55 SD
MET 106 SD
--> ? MET 213 SD
--> A MET 296 SD
E:\top500\1uaeH
| 2.72 3.68 162.1 98.7 134.1
E:\top500\1ubpH
| 2.60 3.57 161.9 127.3 162.1 E:\top500\1ubpH
E:\top500\1uroH
E:\top500\1uroH
E:\top500\1uroH
| 3.04 3.43 104.6 88.2 81.4 E:\top500\1xikAH
199
B ARG
38 NH1
--> B
MET
200
B ARG 163 NH1
--> B
MET 164 SD
201
H HIS 170 N
--> H MET 128 SD
| 3.01 3.87 145.3 108.3 117.4
202
? PHE 164 N
--> ? MET 193 SD
| 2.59 3.33 130.6 106.9 161.7 E:\top500\2driH
203
? GLN
65 NE2
--> ? MET
83 SD
| 3.04 3.85 138.1 164.9 178.6 E:\top500\2hbgH
204
? ASN
18 ND2
--> ? MET
22 SD
| 2.98 3.61 122.1 107.7 134.3 E:\top500\2ilkH
205
A LEU
115 N
--> A MET 118 SD
| 2.62 3.52 149.6 111.4 140.4
206
? THR
110 OG1
--> ? MET
| 2.51 3.50 171.3 138.1 138.2 E:\top500\2mhrH
207
? MET 350 N
--> ?
MET 350 SD
| 2.43 3.14 127.1 98.9 112.0
E:\top500\2myrH
208
? THR 348 N
--> ?
MET 351 SD
| 2.64 3.55 152.4 96.0 128.0
E:\top500\2myrH
209
A GLY 307 N
--> A MET 329 SD
210
? ASP 207 N
--> ? MET 181 SD
211
A LYS
138 NZ
--> A MET 134 SD
| 2.40 3.10 126.1 119.9 130.5
212
A MET 207 N
--> A MET 207 SD
| 2.82 3.13 98.5 93.9 120.7 E:\top500\2tpsAH
213
? ARG 103 NH2
--> ?
MET
| 2.42 3.37 158.4 106.1 160.8
214
? SER
--> ?
MET 278 SD
264 OG
42 SD
E:\top500\1uaeH
76 SD
69 SD
| 2.71 3.32 120.0 111.1 159.4
E:\top500\2arcBH
| 3.09 3.48 104.2 165.4 166.1 E:\top500\2arcBH
| 3.18 3.66 111.2 111.2 147.3
E:\top500\2bbkHH
E:\top500\2lisH
E:\top500\2nacAH
| 2.49 3.47 166.3 97.4 110.7 E:\top500\2porH
E:\top500\2tpsAH
E:\top500\3grsH
| 2.18 3.07 147.0 162.6 162.7 E:\top500\3grsH
215
A HIS
69 NE2
--> A MET
37 SD
| 2.75 3.57 138.9 104.5 132.3 E:\top500\3sdhAH
216
? ARG
97 NE
--> ? MET
99 SD
| 3.18 3.78 120.0 159.6 161.8 E:\top500\3silH
217
? ASN 244 ND2
--> ? MET 269 SD
| 2.65 3.61 161.3 108.5 160.2 E:\top500\3silH
218
A THR 104 N
--> A MET 221 SD
| 3.10 4.04 157.8 117.7 133.8
219
A MET 137 N
--> A MET 137 SD
| 2.07 2.91 140.5 123.0 131.5 E:\top500\4pgaAH
220
A GLY 124 N
--> A MET 161 SD
| 2.74 3.70 160.5 96.7 123.1
221
A ASN
222
223
72 ND2
E:\top500\4eugH
E:\top500\4pgaAH
--> A MET 318 SD
| 2.87 3.54 125.6 148.9 175.7 E:\top500\4pgaAH
? ARG 334 NH2
--> ?
| 3.13 3.44 99.6 124.4 155.8 E:\top500\4xisH
R TYR
67 OH
--> R
224
? ARG
97 NH2
--> ?
225
? ASN 141 ND2
--> ? MET 374 SD
| 2.86 3.78 153.6 123.3 168.7 E:\top500\6celH
226
B LYS
82 NZ
--> B
227
A ASP
228
MET 370 SD
MET
80 SD
MET 111 SD
| 2.15 3.14 167.8 103.6 154.3 E:\top500\5cytH
| 2.54 3.50 159.3 131.3 160.5
E:\top500\5p21H
MET
2 SD
| 3.18 3.63 109.0 92.5 93.7 E:\top500\6gsvBH
6N
--> A MET
64 SD
| 2.77 3.69 153.4 135.6 174.7 E:\top500\7fd1H
A LYS
6 NZ
--> A MET 417 SD
| 2.70 3.70 174.2 92.2 95.8 E:\top500\7odcH
229
? ASN
44 ND2
--> ? MET
| 3.06 3.79 131.6 167.6 168.9 E:\top500\7rsaH
230
? ARG 150 NH1
--> ?
231
? THR 169 OG1
--> ? MET 177 SD
| 2.48 3.44 162.3 83.8 44.6 E:\top500\16pkH
232
? ASN 101 ND2
--> ? MET
| 2.46 3.42 161.9 90.4 93.8 E:\top500\119lH
30 SD
MET 107 SD
6 SD
| 3.04 3.66 120.9 94.7 96.5
E:\top500\8abpH
HB_catcher v1.0 (Zhou et al. 2008)
Sulfur atoms served as H-bond donor/acceptor (Cys→S).
<---DONOR--->
chain res
<-ACCEPTOR-->
res atom chain res res atom
num
bond_length bond_angle
num
d
D
θ
ψ
--> B CYS
236 SG
1
B CYS
152 SG
2
B CYS
3
? CYS
236 SG
--> B CYS
152 SG
18 SG
--> ? CYS
78 SG
| 2.28 3.58 172.3 156.5
4
? CYS
78 SG
--> ? CYS
18 SG
| 3.23 3.58 94.4 93.2
5
? CYS 223 SG
--> ? CYS 197 SG
6
A CYS
--> A MET 247 SD
7
? CYS 302 SG
--> ? CYS
8
A CYS
103 SG
--> A CYS
90 SG
| 2.57 3.52 127.6 145.8
E:\top500\1bu8H
9
A CYS
283 SG
--> A CYS
249 SG
| 2.01 3.26 155.0 82.4.0
E:\top500\1bxoH
206 SG
13 SG
| 2.64 3.35 111.7 174.3
PDB
| 2.65 3.35 111.5 166.7
E:\top500\1a4iBH
E:\top500\1a4iBH
E:\top500\1ammH
E:\top500\1ammH
| 2.19 3.49 173.8 162.5
E:\top500\1b6aH
| 1.67 2.93 159.8 83.3
E:\top500\1b8oH
| 2.57 3.86 173.8 149.7
E:\top500\1bg2H
10
A CYS 145 SG
--> A CYS 211 SG
| 2.58 3.86 166.2 82.1
11
A CYS
179 SG
--> A MET 159 SD
| 2.40 3.68 168.2 105.4
E:\top500\1cjwH
12
B CYS 245 SG
--> B CYS 136 SG
| 3.28 4.07 119.4 149.8
E:\top500\1cnzBH
13
B CYS 338 SG
--> B CYS 345 SG
| 1.75 3.05 175.4 84.9 E:\top500\1cruAH
14
? CYS
60 SG
--> ? MET
44 SD
| 2.47 3.65 149.0 89.1
15
A CYS 109 SG
--> A CYS
84 SG
| 2.46 3.49 134.4 149.6
16
? CYS
32 SG
--> ? CYS
35 SG
| 2.82 3.83 133.1 113.6
E:\top500\1ervH
17
? CYS
262 SG
--> ? CYS
236 SG
| 2.43 3.65 154.3 83.7
E:\top500\1mmlH
18
A CYS 419 SG
--> A CYS 411 SG
| 3.18 4.16 131.8 87.1
E:\top500\1cb0H
E:\top500\1dinH
E:\top500\1dvjAH
E:\top500\1qhvH
19
? CYS
78 SG
20
A CYS 255 SG
--> A MET 264 SD
| 3.27 4.17 126.7 153.9
21
A CYS 211 SG
--> A CYS 195 SG
| 2.38 3.58 152.4 82.7 E:\top500\3btoAH
22
? CYS
--> ? MET 111 SD
| 2.79 3.83 135.3 83.9
80 SG
--> ? MET
18 SD
| 2.65 3.95 178.4 122.9
E:\top500\2endH
E:\top500\2nacAH
E:\top500\5p21H
Top500 Database
PDB a
119lH
153lH
16pkH
19hcAH
1a12AH
1a1yIH
1a28BH
1a2pAH
1a2zAH
1a3aDH
1a4iBH
1a62H
1a6mH
1a73AH
1a7sH
1a8dH
1a8eH
1a8iH
1a92AH
1aacH
1aayH
1abaH
1adsH
1agjAH
1ah7H
1ahoH
1aieH
1ajjH
1ajsAH
1ak0H
1akoH
1akrH
1amfH
1ammH
1ampH
1aohBH
Resolution (Å)
1.65
1.6
1.6
1.8
1.7
1.05
1.8
1.5
1.73
1.8
1.5
1.55
1.0
1.8
1.12
1.57
1.6
1.78
1.8
1.31
1.6
1.45
1.6
1.7
1.5
0.96
1.5
1.7
1.6
1.8
1.7
1.58
1.75
1.2
1.8
1.7
Protein name
T4 lysozyme mutant
Lysozyme, goose
3-phosphoglycerate kinase
nine-haem cytochrome c
regulator of chromosome condensation 1
CI-2 inhibitor/alcalase
progesterone receptor
barnase
pyrrolidone carboxyl peptidase
mannitol-specific eii
methylenetetrahydrofolate DH: cyclohydrolase
rho transcrip terminator
Myoglobin
intron 3 (i-ppo) encoded endonuclease
heparin binding protein
tetanus neurotoxin
serum transferrin
glycogen phosphorylase b
delta antigen
amicyanin
Zn finger/DNA
glutaredoxin (mutant)
aldose reductase
epidermolytic toxin A (Ser prot)
phospholipase C, B. cereus
scorpion neurotoxin II
P53 tetramerization domain
LDL-receptor module 5
aspartate aminotransferase
P1 nuclease
exonuclease III, E coli
Flavodoxin
molybdate transport protein moda
gamma-B crystallin
Aminopeptidase (aeromonas proteolytica)
cellulosome-integrating protein cipa
1aopH
1aqbH
1aquAH
1aqzAH
1arbH
1aruH
1atgH
1atlACH
1atzAH
1auoAH
1avwBH
1axnH
1ay7BH
1aylH
1b0uH
1b0yH
1b16AH
1b3aAH
1b4kAH
1b4vH
1b5eAH
1b67AH
1b6aH
1b6gH
1b8oH
1b9wH
1babBH
1bb1AH
1bbhAH
1bbzEFH
1bd0AH
1bdmBH
1bdoH
1becH
1behBH
1benABH
1bf4AH
1bf6BH
1bfdH
1bfgH
1bg2H
1bg6H
1bgcH
1bgfH
1.6
1.65
1.6
1.7
1.2
1.6
1.2
1.8
1.8
1.8
1.75
1.78
1.7
1.8
1.5
0.93
1.4
1.6
1.67
1.5
1.6
1.48
1.6
1.15
1.5
1.8
1.5
1.8
1.8
1.65
1.6
1.8
1.8
1.7
1.75
1.4
1.6
1.7
1.6
1.6
1.8
1.8
1.7
1.45
sulfite reductase hemoprotein
retinol-binding protein
estrogen sulfotransferase
ribotoxin (restrictocin)
achromobacter protease
fungal peroxidase
periplasmic molybdate-binding protein
Atrolysin c / peptide inhibitor
von Willebrand factor
carboxylesterase
STI trypsin inhibitor
Annexin iii
Barstar inhibitor
phosphoenolpyruvate carboxykinase
histidine permease
HiPIP, Chromatium
alcohol dehydrogenase
rantes
5-aminolevulinic acid dehydratase
cholesterol oxidase
deoxycytidylate hydroxymethylase
histone hmfa
methionine aminopeptidase
haloalkane dehalogenase
purine nucleoside phosphorylase
merozoite surface protein 1
hemoglobin thionville
designed heterotrimeric coiled coil
Cytochrome c', Chromatium
abl tyrosine kinase
alanine racemase
Malate DH mutant (t189i) / nadhx
acetyl-coa carboxylase
14.3.D t cell antigen receptor
phosphatidylethanolamine binding protein
insulin
sso7d
phosphotriesterase homology protein
benzoyl formate decarboxylase
fibroblast growth factor mut (c69s,C87s)
kinesin
n-(1-d-carboxylethyl)-l-norvaline DH
gran. Colony-stimulating factor
stat-4
1bhpH
1bi5H
1bj7H
1bk0H
1bk7H
1bkbH
1bkjAH
1bkrH
1bm8H
1bpiH
1bqcH
1bqkH
1brtH
1bs0H
1bs9H
1bsmAH
1bteAH
1btkAH
1btyH
1bu7AH
1bu8H
1bueH
1bw9AH
1bx4H
1bx7H
1bxoH
1byiH
1byqH
1c02AH
1c1kH
1c1lH
1c24H
1c3dH
1c3pH
1c3wH
1c52H
1c5eAH
1c75H
1c90AH
1cb0H
1cc8H
1cczH
1cemH
1ceqH
1.7
1.56
1.8
1.3
1.75
1.75
1.8
1.1
1.71
1.1
1.5
1.35
1.5
1.65
1.1
1.35
1.5
1.6
1.5
1.65
1.8
1.64
1.5
1.5
1.2
0.95
0.97
1.5
1.8
1.45
1.5
1.7
1.8
1.8
1.55
1.28
1.1
0.97
1.17
1.7
1.02
1.8
1.65
1.0
beta purothionin
chalcone synthase
lipocalin, allergen bos d 2
isopenicillin n synthase
ribonuclease mc1
translation initiation factor 5a
nadph-flavin oxidoreductase
actin binding domain
transcription factor mbp1
BPTI
beta-mannanase
pseudoazurin
bromoperoxidase
8-amino-7-oxonanoate synthase
acetyl xylan esterase
superoxide dismutase
activin receptor type ii
BKT motif, Tyr kinase
beta trypsin
cytochrome p450
pancreatic lipase related protein 2
imipenem-hydrolysing beta-lactamase
phenylalanine dehydrogenase
adenosine kinase
hirustasin
penicillopepsin
dethiobiotin synthase
heat shock protein 90
phosphotransferase ypd1p
T4 gene59 helicase assembly protein
congerin i
methionine aminopeptidase
c3d
hdlp (histone deacetylase-like protein)
bacteriorhodopsin (ground state wildtype)
cytochrome-c552
phage lambda head protein D
cytochrome C-553
BC cold-shock protein
5'-deoxy-5'-methylthioadenosine P'ase
metallochaperone atx1
cd58
cellulase
l-lactate dehydrogenase
1cexH
1cf9BH
1cgoH
1chdH
1cipH
1cjwH
1ckaH
1ckeH
1cl8H
1cmbAH
1cnvH
1cnzBH
1cpqH
1cruAH
1cs1AH
1ctfH
1ctjH
1cv8H
1cvlH
1cxcH
1cxqH
1cxyH
1cy5H
1cydAH
1cyoH
1czfAH
1czpAH
1d2nH
1d3vAH
1d7pH
1dbgH
1dbwBH
1dciAH
1dcsH
1df4H
1dfuPH
1dgfAH
1dhnH
1di6H
1difAH
1dinH
1dlfH
1dnlH
1dosAH
1.0
1.8
1.8
1.75
1.5
1.8
1.5
1.75
1.8
1.8
1.65
1.76
1.72
1.5
1.5
1.7
1.1
1.75
1.6
1.6
1.02
1.65
1.3
1.8
1.5
1.68
1.17
1.75
1.7
1.5
1.7
1.6
1.5
1.3
1.45
1.8
1.5
1.65
1.45
1.7
1.8
1.45
1.8
1.67
cutinase
catalase hpii
cytochrome c', Alcaligenes
cheb methylesterase
guanine nucleotide-bdg protein, alpha1 sub
serotonin n-acetyltransferase
c-crk SH3 domain
cytidine monophosphate kinase
endonuclease
Met apo-repressor (metj)
concanavalin B (~chitinase)
3-isopropylmalate dehydrogenase
cytochrome c', Rhodobacter
quinoprotein glucose dehydrogenase
cystathionine gamma-synthase
L7/L12 ribosomal protein C-term
cytochrome c6
staphopain
triacylglycerol hydrolase
cytochrome C2
avian sarcoma virus integrase
cytochrome b5
apoptotic protease activating factor 1
carbonyl reductase
cytochrome B5
polygalacturonase II
ferredoxin I
n-ethylmaleimide-sensitive fusion protein
arginase
coagulation factor VIII precursor
chondroitinase b
transcriptional regulatory protein fixj
dienoyl-coa isomerase
deacetoxycephalosporin c synthase
hiv-1 envelope glycoprotein gp41
ribosomal protein l25
catalase, human erythrocyte
7,8-dihydroneopterin aldolase
molybdenum cofactor biosythetic enzyme
HIV protease
dienelactone hydrolase
anti-dansyl immunoglobulin igg2a(s)
pyridoxine 5'-phosphate oxidase
fructose bis-P aldolase
1dozH
1dp7PH
1dpsDH
1dptAH
1dqsAH
1dvjAH
1dxgAH
1ecoH
1edgH
1edmBH
1egwAH
1ejgH
1ek0H
1ek6AH
1elkAH
1ervH
1erxH
1es5H
1etnH
1euwH
1evhABH
1ezmH
1fasH
1fdrH
1fdsH
1fkjH
1flmBH
1flpH
1fltVH
1fltYH
1fmbH
1fnaH
1fncH
1ftrAH
1fusH
1fvkAH
1fxdH
1g3pH
1gaiH
1gcaH
1gceH
1gciH
1gd1OH
1gdjH
1.8
1.5
1.6
1.54
1.8
1.5
1.8
1.4
1.6
1.5
1.5
0.54
1.48
1.5
1.5
1.65
1.4
1.4
0.89
1.05
1.8
1.5
1.8
1.7
1.7
1.7
1.3
1.5
1.7
1.7
1.8
1.8
1.7
1.7
1.3
1.7
1.7
1.46
1.7
1.7
1.8
0.78
1.8
1.7
ferrochelatase
transcription factor HRFX1
dps
d-dopachrome tautomerase
3-dehydroquinate synthase
orotidine 5'-P decarboxylase
desulforedoxin
erythrocruorin
celCCA endoglucanase
Factor IX EGF domain
MEF2A transcription factor
crambin
GTP-binding protein YPT51
UDP-galactose 4-epimerase
VHS domain of human TOM1 protein
thioredoxin, human
nitrophorin 4
D-Ala,D-Ala transpeptidase
heat-stable enterotoxin
E coli dUTPase
mena evh1 domain
Zn elastase, pseudomonas
Fasciculin 1
flavodoxin reductase
beta-hydroxysteroid DH
FK506-binding protein
D vulgaris FMN-binding protein
S-reactive clam Hb, Lucina pect.
vascular endothelial growth factor
Fms-like Tyr kinase 1
EIAV protease
Fibronectin module type III-10
Ferredoxin reductase
tetrahydromethopterin formyl transferase
ribonuclease F1
SS-bond protein DSBA
ferredoxin II, Fe3S4
M13 coat protein G3P
glucoamylase-471
glucose-galactose-bdg protein
beta-lactamase
subtilisin
holo D-Glyceraldehyde-3-P DH
leghemoglobin
1gdoBFH
1gofH
1gpeAH
1gsoH
1guqAH
1gvpH
1h2rLH
1h2rSH
1hclH
1hcrAH
1hfcH
1hfeSLH
1hkaH
1hmtH
1hpmH
1htrH
1hxnH
1iabH
1idoH
1ifcH
1iibAH
1isuAH
1ixhH
1jerH
1jetH
1jhgABH
1kapH
1koeH
1kp6H
1kpfH
1kptAH
1kuhH
1kveABH
1lamH
1lbuH
1lclH
1lkkH
1lmb4H
1lstH
1lucBH
1m6pAH
1mbaH
1mctIH
1mdcH
1.8
1.7
1.8
1.6
1.8
1.6
1.4
1.4
1.8
1.8
1.56
1.6
1.5
1.4
1.7
1.62
1.8
1.79
1.7
1.19
1.8
1.5
0.98
1.6
1.2
1.3
1.64
1.5
1.8
1.5
1.75
1.6
1.8
1.6
1.8
1.8
1.0
1.8
1.8
1.5
1.8
1.6
1.6
1.75
glucosamine 6-P synthase
galactose oxidase
glucose oxidase
glycinamide ribonucleotide synthetase
galactose-1-P uridylyltransferase
gene V protein, E coli
periplasmic [NiFe] hydrogenase large sub
periplasmic [NiFe] hydrogenase small sub
human cyclin-dependent kinase 2
Hin recombinase (DNA-bdg domain) / DNA
fibroblast collagenase
Fe-only hydrogenase (smaller subunit)
dihydropterin pyrophosphokinase
fatty acid bdg protein
HSC70 ATPase domain
Progastricsin (pepsinogen c)
hemopexin
Astacin with zinc replaced by cobalt(ii)
integrin I-domain
Intestinal fatty acid binding protein
enzyme Iib, cellobiose-spec P-transferase
Hi-potential Iron protein
phosphate-binding protein
stellacyanin, cucumber
oligo-peptide binding protein
Trp repressor (V58I mut)
alkaline protease/Zn/8Ca
endostatin
toxin
protein kinase C interacting protein
kp4 toxin
Zn protease, Streptomyces
smk toxin
leucine aminopeptidase
muramoyl-pentapeptide carboxypeptidase
lysophospholipase
tyrosine kinase SH2
Lambda repressor N-t / operator
Lys-,Arg-,Orn-bdg protein (LAO) / Lys
luciferase
cation-dependent mannose-6-P receptor
Myoglobin, Aplysia
squash trypsin inhibitor/(trypsin)
Fatty acid bdg protein (Manduca sexta)
1mfiAH
1mfmH
1mgtH
1mjhBH
1mlaH
1mmlH
1mofH
1molAH
1moqH
1mpgBH
1mrjH
1mroBH
1mroCH
1msiH
1mskH
1mugAH
1munH
1narH
1nbcAH
1nddBH
1nfnH
1nifH
1nkdH
1nkrH
1nlsH
1notH
1noxH
1npkH
1nulBH
1nwpAH
1nzyBH
1oaaH
1oncH
1opdH
1orcH
1osaH
1pcfAH
1pdaH
1pdoH
1pefH
1penH
1pgsH
1phnAH
1plcH
1.8
1.02
1.8
1.7
1.5
1.8
1.7
1.7
1.57
1.8
1.6
1.16
1.16
1.25
1.8
1.8
1.2
1.8
1.8
1.6
1.8
1.6
1.07
1.7
0.94
1.2
1.59
1.8
1.8
1.6
1.8
1.25
1.7
1.5
1.54
1.68
1.74
1.76
1.7
1.5
1.1
1.8
1.65
1.33
macrophage migration inhibitory factor
monomeric Cu,Zn superoxide dismutase
O6-methylguanine-DNA methyltransferase
ATP-bdg domain of protein mj0577
malonyl CoA carrier protein
MMLV reverse transcriptase
murine leukemia virus coat prot
monellin, single-chain
glucosamine 6-P synthase
3-methyladenine DNA glycosylase II
trichosanthin/ade
methyl-coenzyme m reductase
methyl-coenzyme m reductase
antifreeze protein QAE
cobalamin-dependent Met synthase
G:T/U mismatch-specific DNA glycosylase
adenine glycosylase
Narbonin
cellulosomal scaffolding protein a
ubiquitin-like protein nedd8
apolipoprotein E
nitrate reductase, T2 Cu depleted
ROP protein
p58-cl42 kir
concanavalin A
G1-alpha conotoxin
NADH oxidase, Thermus therm
Nucleoside diphosphate kinase
xanthine-guanine P-ribosyltransferase
azurin, Pseudomonas
4-chlorobenzoyl coenzyme A dehalogenase
sepiapterin reductase
P-30 frog anti-tumor RNAse
histidine-containing protein
cro repressor (mutant) monomer
calmodulin
transcriptional coactivator pc4
Porphobilinogen deaminase
mannose transp; PEP-dep P-trans
peptide F (EGLLKALEFLLKELLEKL)
alpha-conotoxin PNIA
png asparagine amidase f
phycocyanin
plastocyanin
1pmiH
1poaH
1psrAH
1ptfH
1pymAH
1qauH
1qb7H
1qcxH
1qczH
1qd1BH
1qddH
1qe3H
1qf9H
1qfmH
1qftAH
1qgiH
1qgqH
1qgwBDH
1qh4AH
1qh5AH
1qh8AH
1qh8BH
1qhfAH
1qhvH
1qipBH
1qj4H
1qjdH
1qk5AH
1qksAH
1ql0AH
1qlwAH
1qnfH
1qnjH
1qq4H
1qq5AH
1qqqH
1qreH
1qrrH
1qs1AH
1qsaH
1qsgGH
1qtsH
1qtwH
1qu9AH
1.7
1.5
1.05
1.6
1.8
1.25
1.5
1.7
1.5
1.7
1.3
1.5
1.7
1.4
1.25
1.6
1.5
1.63
1.41
1.45
1.6
1.6
1.7
1.51
1.72
1.1
1.8
1.6
1.28
1.1
1.1
1.8
1.1
1.2
1.52
1.5
1.46
1.6
1.5
1.65
1.75
1.4
1.02
1.2
phosphomannose isomerase
phospholipase A2, cobra
Psoriasin (EF hand)
His phosphocarrier
phosphoenolpyruvate mutase
neuronal NO synthase (res 1-130)
adenine P-ribosyltransferase
pectin lyase B
carboxyaminoimidazole ribonucleotide mutase
formiminotransferase-cyclodeaminase
lithostathine
para-nitrobenzyl esterase
U/C monophosphate kinase
prolyl oligopeptidase
female-specific histamine-binding protein
chitosanase
spore coat polysaccharide biosynthesis protein
cryptophytan phycoerythrin (alpha-1)
creatine kinase, b chain
hydroxyacylglutathione hydrolase
nitrogenase Mo-Fe protein
nitrogenase Mo-Fe protein
phosphoglycerate mutase
adenovirus fibre
lactoylglutathione lyase
hydroxynitrile lyase
flavocytochrome c3
hypoxanthine-guanine P-ribosyltransferase
cytochrome cd1 nitrite reductase
SM endonuclease
bacterial esterase
photolyase
porcine pancreatic elastase
alpha-lytic protease
l-2-haloacid dehalogenase
thymidylate synthase
carbonic anhydrase, thermophile
sulfolipid biosynthesis (sqd1) protein
adp-ribosyltransferase
soluble lytic transglycosylase slt70
enoyl-reductase
ap-2 clathrin adaptor alpha subunit
endonuclease iv
yjgf protein
1qupAH
1qusH
1ra9H
1rb9H
1rcfH
1rgeAH
1rhsH
1rieH
1rzlH
1sbpH
1sluH
1smdH
1smlH
1stnH
1svfABH
1svyH
1swuBH
1t1dH
1taxH
1tc1BH
1tcaH
1tenH
1tfeH
1tgsIH
1tgxAH
1thvH
1tifH
1tmlH
1toaAH
1tph1H
1ttbAH
1tudH
1tx4AH
1tyvH
1uaeH
1ubpH
1uchH
1ugiDH
1uroH
1ushH
1uteH
1uxyH
1vcaAH
1vccH
1.8
1.7
1.55
0.92
1.4
1.15
1.36
1.5
1.6
1.7
1.8
1.6
1.7
1.7
1.4
1.75
1.14
1.51
1.14
1.41
1.55
1.8
1.7
1.8
1.55
1.75
1.8
1.8
1.8
1.8
1.7
1.77
1.65
1.8
1.8
1.65
1.8
1.55
1.8
1.73
1.55
1.8
1.8
1.6
superoxide dismutase 1 Cu chaperone
lytic murein transglycosylase b
DHFR, E coli
rubredoxin, Desulfovibrio
flavodoxin, anabaena
ribonuclease SA
rhodanese, S subst
Rieske Fe-S protein
nonspecific lipid transfer protein
sulfate-binding protein, Salm.
Ecotin
salivary amylase
penicillinase
Staphylococcal nuclease
sv5 fusion protein
Severin
Streptavidin
potassium channel kv1.1
endo-1,4-beta-xylanase
hypoxanthine P-ribosyltransferase
lipase, Candida
Tenascin (third fibronectin III repeat)
elong-F TS dimer domain
pancreatic secretory trypsin inhibitor
cardiotoxin
Thaumatin isoform a (orthorhombic)
translation initiation factor 3
Endo-1,4-beta-d-glucanase
periplasmic binding protein troa
Triose-P isomerase / P-glycolohydroxamate
transthyretin
alpha-spectrin
p50-rhogap
Tailspike protein
UdP-Nacetylglucosamine enolpyruvyl tr'ase
urease
ubiquitin C-terminal hydrolase UCH-l3
uracil-DNA glycosylase inhibitor
uroporphyrinogen decarboxylase
5'-nucleotidase
ii purple acid phosphatase
UdP-Nacetylenolpyruvylglucosamine red'ase
human vascular cell adhesion molecule-1
vaccinia topoisomerase
1vfrAH
1vfyH
1vhhH
1vieH
1vjsH
1vnsH
1vsrH
1wabH
1wapBH
1whiH
1xikAH
1xjoH
1xnbH
1xwlH
1yacBH
1ygeH
1ytbAH
1yveIH
1zinH
256bAH
2a0bH
2actH
2acyH
2ahjCH
2ahjDH
2arcBH
2ayhH
2baaH
2bbkHH
2bbkLH
2bc2AH
2bopAH
2cbaH
2cbpH
2cpgAH
2cplH
2cppH
2ctcH
2cuaAH
2cypH
2dpmH
2driH
2endH
2engH
1.8
1.15
1.7
1.7
1.7
1.66
1.8
1.7
1.8
1.5
1.7
1.75
1.49
1.7
1.8
1.4
1.8
1.65
1.6
1.4
1.57
1.7
1.8
1.7
1.7
1.5
1.6
1.8
1.75
1.75
1.7
1.7
1.54
1.8
1.6
1.63
1.63
1.4
1.6
1.7
1.8
1.6
1.45
1.5
NAD(P)H:FMN oxidoreductase
phosphatidylinositol-3-P bdg fyve domain
sonic hedgehog
R67 plasmid DHFR
alpha-amylase precursor
vanadium chloroperoxidase
vsr endonuclease
platelet-act-F acetylhydrolase
Trp RNA-binding attenuation protein / Trp
L14 ribosomal protein
protein r2 of ribonucleotide reductase
aminopeptidase
Xylanase (endo-1,4-beta-xylanase)
DNA polymerase i
ycac gene product
lipoxygenase L-1, soybean
Tata-box binding protein (YTBP) / DNA
acetohydroxy acid isomerored'ase
adenylate kinase
cytochrome b562
hpt domain
actinidin
acylphosphatase
nitrile hydratase
nitrile hydratase
ara-C arabinose-regulatory prot
beta glucanase
endochitinase (26 kd)
Methylamine dehydrogenase (madh)
Methylamine dehydrogenase (madh)
metallo beta-lactamase ii
papilomavirus E2 transcr. factor
Carbonic anhydrase ii
cucumber basic protein
transcriptional repressor copg
cyclophilin
cytochrome P450 cam
carboxypeptidase A
cua
cyt C peroxidase
adenine-specific methyltransferase dpnii 1
D-ribose-binding protein
endonuclease V
endoglucanase V
2erlH
2fdnH
2garH
2hbgH
2hftH
2hmzAH
2igdH
2ilkH
2kntH
2lisH
2mcmH
2mhrH
2msbAH
2myrH
2nacAH
2nlrH
2porH
2pthH
2pvbH
2qwcH
2rn2H
2sakH
2sn3H
2spcAH
2tgiH
2tnfAH
2tpsAH
2trxAH
3btoAH
3chbDH
3chyH
3claH
3cyrH
3ebxH
3eipAH
3ezmH
3grsH
3htsBH
3nulH
3proCH
3pteH
3pviAH
3pypH
3sdhAH
1.0
0.94
1.8
1.5
1.69
1.66
1.1
1.6
1.2
1.35
1.5
1.7/1.3
1.7
1.6
1.8
1.2
1.8
1.2
0.91
1.6
1.48
1.8
1.2
1.8
1.8
1.4
1.25
1.68
1.66
1.25
1.66
1.75
1.6
1.4
1.8
1.5
1.54
1.75
1.6
1.8
1.6
1.59
0.85
1.4
pheromone ER-1
ferredoxin, 4Fe4S, Clostridium
glycinamide ribonucleotide transformylase
Hemoglobin (deoxy)
tissue factor
hemerythrin, sipunculid
protein g
interleukin-10, human
collagen, Kunitz domain
sperm lysin
macromycin
myohemerythrin
mannose-binding protein
Myrosinase
NAD-dependent formate DH (apo)
Endoglucanase
Porin (crystal form b)
peptidyl-trna hydrolase
Parvalbumin
Neuraminidase
ribonucleasase H
Staphylokinase
scorpion neurotoxin 3
Spectrin (one repeat unit)
Transforming growth factor-beta 2
tumor necrosis factor alpha
thiamin phosphate synthase
thioredoxin
liver alcohol DH
Cholera toxin
che Y
Type III chloramphenicol acetyltransferase
cytochrome C3, Desulfovibrio
erabutoxin
Colicin e3 immunity protein
Cyanovirin-n
glutathione reductase
heat shock transcription factor
profilin I, Arabidopsis
alpha-lytic protease, pro region
D-ala transpeptidase
pvuII endonuclease
photoactive yellow protein
clam Hb (homodimer), Scapharca
3sebH
1.48
staphylococcal enterotoxin b
3silH
1.05
Sialidase
3stdAH
1.65
scytalone dehydratase
3vubH
1.4
topoisomerase poison
451cH
1.6
cytochrome c551, reduced
4eugH
1.4
glycosylase
4lztH
0.95
HEW lysozyme
4pgaAH
1.7
Glnase-Asnase, Pseudomonas
4xisH
1.6
xylose isomerase
5cytH
1.5
cytochrome C, tuna
5hpgAH
1.66
Plasminogen, Kringle 5
5icbH
1.5
Calbindin d9k
5nulH
1.6
flavodoxin mutant, Clostridium
5p21H
1.35
P21 ras
6celH
1.7
CBH1 cellopentaose
6gsvBH
1.75
mu class glutathione S-transferase
7a3hH
0.95
Endoglucanase
7atjH
1.47
peroxidase c1a
7fd1H
1.3
7-Fe ferredoxin i
7odcH
1.6
ornithine decarboxylase
7rsaH
1.26
ribonuclease A
8abpH
1.49
arabinose-binding protein
8rucAIH
1.6
rubisco, spinach
9wgaAH
1.8
Wheat germ agglutinin (isolectin 2)
a
The first four characters represents the PDB ID, the latter capital characters (except ‘H’)
are chain name, and the H in last indicates hydrogen atoms were added to the protein
using REDUCE program.