McyB and amino acid sequence diversity in the microcystis

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Table S1 Binding pocket residues of McyBA1 domain. Binding pocket residues of
McyBA1 domain were identified by alignment with GrsA sequence (Stachelhaus et al., 1999)
Sequence
McyBA1
group
Residue positions1
235
236
239
278
299
301
322
330
GrsA
D
A
W
T
I
A
A
I
EHN3M29
IA
D
G
W
T
I
G
A
V
EHN3A6
IA
D
G
W
T
I
G
A
V
EHN3M14
IA
D
G
W
T
I
G
A
V
EHN3D19
IA
D
G
W
T
I
G
A
V
EHN3D13
IA
D
G
W
T
I
G
A
V
EHN3D27
IA
D
G
L
T
I
G
A
V
EHM1A17
IA
D
G
W
T
I
G
A
V
EHN3D4
IA
D
G
W
T
I
G
A
V
EHN3A7
IB
D
G
W
T
I
G
A
V
EHN3D22
IB
D
G
W
T
I
G
A
V
EHM5M22
IB
D
G
W
T
I
G
A
V
EHM5M16
IB
D
G
W
T
I
G
A
V
EHN3S4
IB
D
G
W
T
I
G
A
V
EHS1D9
IB
D
G
W
T
I
G
A
V
EHS1S5
IB
D
G
W
T
I
G
A
V
EHS1D3
IB
D
G
W
T
I
G
A
V
EHS1M16
IB
D
G
L
T
I
G
A
V
EHM1A16
II
D
A
L
F
L
G
N
V
EHM1S1
II
D
A
C
F
L
G
N
V
EHM1S17
II
D
A
W
F
L
G
N
V
EHS1D12
II
D
A
W
F
L
G
N
V
EHM5S14
II
D
A
W
F
L
G
N
V
EHM1S26
II
D
A
L
F
L
G
N
V
PCC7806B2
D
A
W
F
L
G
N
N
3
PCC7806C
D
V
W
T
I
G
A
V
1
Numbering of residue positions according to GrsA (GenBank: CAA33603).
2
McyBA1 of Microcystis aeruginosa PCC 7806 (GenBank: AM778952).
3
McyCA of Microcystis aeruginosa PCC 7806 (GenBank: AM778952).
331
C
E
E
E
E
E
E
E
E
E
E
E
E
E
E
E
E
E
V
V
V
V
V
V
V
D
517
K
K
K
K
K
K
K
K
K
K
K
K
K
K
K
K
K
K
K
K
K
K
K
K
K
K
Table S2 Paired comparison of samples from different months in the same
location and from different locations in the same month. Population pairwise Fst
values and significance of population differentiation were computed according to OTU
frequencies as implemented in Arlequin ver. 3.0 (Excoffier et al., 2005).
Between Months
P1
Fst
Between Locations
** 2
N3/May
N3/Aug.
0.27**
N3/May
M1/May
**
*
N3/May
N3/Sept.
0.04
N3/May
M5/May
**
**
N3/May
N3/Dec.
0.06
N3/May
S1/May
**
**
N3/Aug.
N3/Sept.
0.34
M1/May
M5/May
**
**
N3/Aug.
N3/Dec.
0.19
M1/May
S1/May
**
**
N3/Sept.
N3/Dec.
0.08
M5/May
S1/May
**
**
M1/May
M1/Aug.
0.28
N3/Aug.
M1/Aug.
**
M1/May
M1/Sept.
0.26**
N3/Aug.
S1/Aug.
**
**
M1/May
M1/Dec.
0.23
M1/Aug.
S1/Aug.
**
NS
M1/Aug. M1/Sept.
0.05
N3/Sept. M1/Sept.
*
NS
M1/Aug.
M1/Dec.
0.03
N3/Sept. M5/Sept.
3
NS
M1/Sept.
M1/Dec.
NS
0.00
N3/Sept.
S1/Sept.
*
NS
M5/May
M5/Sept.
0.02
M1/Sept. M5/Sept.
*
NS
M5/May
M5/Dec.
0.02
M1/Sept.
S1/Sept.
NS
M5/Sept.
M5/Dec.
NS
0.01
M5/Sept.
S1/Sept.
**
**
S1/May
S1/Aug.
0.27
N3/Dec.
M1/Dec.
**
**
S1/May
S1/Sept.
0.09
N3/Dec.
M5/Dec.
*
S1/May
S1/Dec.
0.02 NS
N3/Dec.
S1/Dec.
**
**
S1/Aug.
S1/Sept.
0.54
M1/Dec.
M5/Dec.
**
**
S1/Aug.
S1/Dec.
0.40
M1/Dec.
S1/Dec.
NS
S1/Sept.
S1/Dec.
NS
0.04
M5/Dec.
S1/Dec.
1
The P values were calculated by population differentiation test.
2
The asterisks represent significant levels: *, P < 0.05; **, P < 0.01.
3
NS, no significance.
P
Fst
**
0.23**
0.01 NS
0.03
0.26**
0.22**
0.02 NS
0.23**
0.00 NS
0.36**
0.01 NS
-0.01 NS
0.02 NS
-0.01 NS
0.02 NS
-0.01 NS
-0.01 NS
0.03*
0.02 NS
-0.01 NS
-0.03 NS
0.01 NS
*
*
**
**
*
**
**
NS
NS
NS
*
NS
NS
NS
NS
*
*
NS
NS
*
Table S3. AMOVA analysis for geographic and seasonal changes of McyBA1
diversity. AMOVA analysis was performed based on OTU frequencies as implemented in
Arlequin ver. 3.0 (Excoffier et al., 1992).
Data
source
Sites
Months
Source of
variation
Among
groups
Among
populations
within groups
Within
populations
Total
Among
groups
Among
populations
within groups
Within
populations
Total
d.f.
Sum of
squares
Variance
components
Percentage
of variation
3
3.279
-0.01086
-2.83
11
24.733
0.06413
16.73
438
144.599
0.33014
86.11
452
172.611
0.38341
3
14.788
0.03301
8.42
11
13.224
0.02904
7.40
438
144.599
0.33014
84.18
452
172.611
0.39218
FCT
P
value
-0.03
>0.1
0.08
<0.01
Table S4 Concentrations of intracellular microcystins in lake water.
Location
May
0.01/0.01
(0.02)
0.01/0.01
(0.03)
0.05/0.04
(0.09)
0.02/0.01
(0.03)
0.04/0.03
(0.07)
0.04/0.03
(0.07)
0.02/0.01
(0.03)
0.06/0.03
(0.08)
0.06/0.02
(0.07)
Jun.
Jul.
0.02/0.02 0.06/0.04
N1
(0.04)
(0.09)
0.02/0.02 0.07/0.05
N2
(0.05)
(0.12)
0.02/0.02 0.02/0.01
N3
(0.04)
(0.03)
0.02/0.02 0.09/0.06
M0
(0.04)
(0.15)
0.02/0.02 0.03/0.02
M1
(0.04)
(0.05)
0.03/0.02 0.08/0.05
M2
(0.05)
(0.13)
0.02/0.01 0.01/0.01
M3
(0.03)
(0.01)
0.03/0.02 0.02/0.02
M4
(0.05)
(0.04)
0.03/0.03 0.02/0.02
M5
(0.06)
(0.04)
0.02/0.01 0.04/0.03
S1
(0.03)
(0.06)
0.06/0.04 0.03/0.03 0.05/0.04
S2
(0.10)
(0.06)
(0.10)
0.04/0.02 0.04/0.03 0.04/0.03
S3
(0.06)
(0.07)
(0.07)
1
Total MCs, MC-RR plus MC-LR.
2
Data was lacked.
MC-RR/ MC-LR
(Total MCs 1) (μg/L)
Aug.
Sept.
0.39/0.26 0.29/0.14
(0.64)
(0.43)
0.82/0.48 0.29/0.14
(1.30)
(0.43)
0.51/0.26 0.24/0.08
(0.78)
(0.32)
0.45/0.28 0.12/0.06
(0.73)
(0.18)
0.88/0.52 0.20/0.10
(1.40)
(0.30)
0.40/0.26 0.14/0.07
(0.67)
(0.21)
0.35/0.22 0.07/0.04
(0.57)
(0.10)
0.49/0.30 0.14/0.08
(0.80)
(0.22)
0.33/0.20 0.13/0.05
(0.53)
(0.17)
0.43/0.22 0.04/0.02
(0.65)
(0.06)
0.39/0.23 0.23/0.09
(0.62)
(0.32)
0.62/0.35 0.11/0.04
(0.97)
(0.16)
Oct.
0.09/0.06
(0.14)
0.12/0.08
(0.20)
0.11/0.07
(0.18)
0.12/0.06
(0.18)
0.19/0.12
(0.31)
0.16/0.10
(0.26)
0.16/0.08
(0.24)
0.06/0.04
(0.10)
0.10/0.06
(0.16)
0.12/0.07
(0.19)
0.12/0.07
(0.19)
0.14/0.07
(0.21)
Nov.
0.49/0.34
(0.83)
0.44/0.24
(0.68)
0.35/0.20
(0.55)
0.43/0.22
(0.65)
0.51/0.27
(0.78)
0.47/0.25
(0.72)
0.43/0.23
(0.67)
0.57/0.28
(0.85)
0.56/0.28
(0.84)
0.53/0.35
(0.88)
0.71/0.37
(1.08)
0.39/0.26
(0.64)
Dec.
0.11/0.11
(0.21)
0.16/0.13
(0.29)
0.33/0.22
(0.55)
0.02/0.02
(0.04)
0.82/0.55
(1.37)
0.30/0.20
(0.50)
-2
0.21/0.15
(0.37)
0.15/0.08
(0.24)
0.19/0.12
(0.32)
0.21/0.15
(0.36)
Stachelhaus, T., Mootz, H.D., and Marahiel, M.A. (1999) The specificity-conferring code of
adenylation domains in non-ribosomal peptide synthetases. Chem Biol 8: 493–505.
Excoffier, L., Smouse, P.E., and Quattro, J.M. (1992) Analysis of molecular variance inferred
from metric distances among DNA haplotypes: Application to human mitochondrial DNA
restriction data. Genetics 131: 479–491.
Excoffier, L., Laval, G., and Schneider, S. (2005) Arlequin ver. 3.0: an integrated software
package for population genetics data analysis. Evol Bioinform Online 1: 47–50.
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