## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
B |
36 |
10 |
7107 |
◊ |
A |
x,y,z-1 |
1_554 |
37 |
11 |
7159 |
319.8 |
-0.8 |
0.407 |
3 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
28 |
8 |
7107 |
◊ |
A |
-y+1,x-y,z-1/3 |
2_654 |
28 |
8 |
7159 |
268.8 |
-0.3 |
0.400 |
1 |
0 |
0 |
0.000 |
3 |
|
B |
28 |
8 |
7107 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
29 |
9 |
7159 |
263.5 |
0.6 |
0.546 |
0 |
1 |
0 |
0.000 |
Average: |
266.1 |
0.2 |
0.473 |
1 |
1 |
0 |
0.000 |
3 |
4 |
|
B |
23 |
8 |
7107 |
x |
B |
-y,x-y-1,z-1/3 |
2_544 |
24 |
11 |
7107 |
223.1 |
-0.0 |
0.482 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
28 |
11 |
7159 |
x |
A |
-y+1,x-y,z-1/3 |
2_654 |
20 |
6 |
7159 |
214.6 |
-1.2 |
0.359 |
0 |
1 |
0 |
0.000 |
Average: |
218.9 |
-0.6 |
0.420 |
1 |
1 |
0 |
0.000 |
4 |
6 |
|
A |
17 |
7 |
7159 |
◊ |
B |
-y+1,x-y,z+2/3 |
2_655 |
22 |
8 |
7107 |
167.4 |
1.0 |
0.609 |
1 |
3 |
0 |
0.000 |
7 |
|
A |
18 |
8 |
7159 |
◊ |
B |
-y,x-y-1,z+2/3 |
2_545 |
15 |
6 |
7107 |
162.2 |
0.9 |
0.600 |
0 |
2 |
0 |
0.000 |
Average: |
164.8 |
0.9 |
0.605 |
1 |
3 |
0 |
0.000 |
5 |
8 |
|
[SO4]B:1137 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
7107 |
103.4 |
-15.1 |
0.625 |
1 |
0 |
0 |
0.014 |
6 |
9 |
|
[SO4]A:1137 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
7159 |
101.7 |
-15.2 |
0.636 |
1 |
0 |
0 |
0.014 |
7 |
10 |
|
[SO4]B:1134 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
7107 |
100.4 |
-16.1 |
0.452 |
5 |
0 |
0 |
0.017 |
8 |
11 |
|
[SO4]A:1136 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
7159 |
99.0 |
-15.6 |
0.490 |
2 |
0 |
0 |
0.015 |
9 |
12 |
|
B |
15 |
6 |
7107 |
◊ |
A |
x,y,z |
1_555 |
16 |
9 |
7159 |
96.6 |
0.4 |
0.565 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
B |
12 |
5 |
7107 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
10 |
4 |
7159 |
91.4 |
1.0 |
0.655 |
0 |
3 |
0 |
0.000 |
11 |
14 |
|
[SO4]A:1135 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
7159 |
86.3 |
-12.9 |
0.634 |
2 |
0 |
0 |
0.012 |
12 |
15 |
|
[SO4]B:1135 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
7107 |
82.4 |
-12.5 |
0.595 |
2 |
0 |
0 |
0.012 |
13 |
16 |
|
[ACT]B:1138 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
7107 |
81.8 |
1.2 |
0.776 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[ACT]B:1139 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
7107 |
74.4 |
-0.7 |
0.513 |
1 |
0 |
0 |
0.001 |
15 |
18 |
|
[SO4]B:1136 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
7107 |
67.4 |
-9.4 |
0.643 |
0 |
0 |
0 |
0.009 |
16 |
19 |
|
[SO4]A:1138 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7159 |
64.2 |
-9.0 |
0.639 |
0 |
0 |
0 |
0.008 |
17 |
20 |
|
[SO4]A:1134 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
7159 |
58.7 |
-8.3 |
0.740 |
1 |
0 |
0 |
0.008 |
18 |
21 |
|
[SO4]A:1134 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
7107 |
55.2 |
-7.4 |
0.668 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[CL]A:1133 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7159 |
44.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.005 |
23 |
|
[CL]B:1133 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
7107 |
43.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
43.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.005 |
20 |
24 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7159 |
38.5 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.026 |
25 |
|
[ZN]B:401 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
7 |
4 |
7107 |
37.7 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
38.1 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.026 |
21 |
26 |
|
[SO4]B:1134 |
3 |
1 |
184 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.015 |
22 |
27 |
|
[SO4]A:1136 |
3 |
1 |
184 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.3 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.013 |
23 |
28 |
|
[SO4]B:1136 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
7159 |
23.9 |
-2.3 |
0.887 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
B |
6 |
1 |
7107 |
◊ |
[SO4]A:1135 |
x,y,z-1 |
1_554 |
3 |
1 |
185 |
23.9 |
-2.9 |
0.694 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[SO4]B:1135 |
3 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
1 |
7159 |
23.1 |
-2.8 |
0.672 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[SO4]A:1138 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
7107 |
20.9 |
-1.9 |
0.900 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[ACT]B:1138 |
2 |
1 |
183 |
f |
A |
-y,x-y-1,z-1/3 |
2_544 |
6 |
3 |
7159 |
19.3 |
-0.3 |
0.527 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[ACT]B:1139 |
3 |
1 |
183 |
f |
[SO4]B:1134 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.6 |
-1.2 |
0.742 |
0 |
0 |
0 |
0.001 |
29 |
34 |
|
[SO4]B:1135 |
1 |
1 |
185 |
◊ |
[SO4]A:1135 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
8.3 |
-2.0 |
0.800 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[SO4]A:1138 |
1 |
1 |
184 |
f |
[SO4]A:1134 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.2 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.001 |
|