| ## |
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 |
123 |
33 |
10204 |
◊ |
A |
x,y,z |
1_555 |
124 |
35 |
10209 |
1215.6 |
-17.7 |
0.095 |
18 |
4 |
0 |
0.420 |
| 2 |
2 |
|
A |
29 |
10 |
10209 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
32 |
9 |
10204 |
300.4 |
-2.9 |
0.392 |
3 |
2 |
0 |
0.000 |
| 3 |
3 |
|
[GSH]A:210 |
20 |
1 |
501 |
f |
A |
x,y,z |
1_555 |
41 |
15 |
10209 |
296.1 |
-1.2 |
0.795 |
10 |
0 |
0 |
0.184 |
4 |
|
[GSH]B:210 |
20 |
1 |
498 |
f |
B |
x,y,z |
1_555 |
43 |
15 |
10204 |
294.0 |
-1.5 |
0.763 |
10 |
0 |
0 |
0.184 |
| Average: |
295.0 |
-1.3 |
0.779 |
10 |
0 |
0 |
0.184 |
| 4 |
5 |
|
A |
32 |
10 |
10209 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
32 |
11 |
10209 |
286.4 |
-1.8 |
0.575 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[N11]A:211 |
20 |
1 |
480 |
f |
A |
x,y,z |
1_555 |
38 |
11 |
10209 |
267.3 |
-4.5 |
0.554 |
1 |
0 |
0 |
0.149 |
7 |
|
[N11]B:211 |
20 |
1 |
464 |
f |
B |
x,y,z |
1_555 |
37 |
11 |
10204 |
252.1 |
-4.4 |
0.561 |
0 |
0 |
0 |
0.149 |
| Average: |
259.7 |
-4.5 |
0.558 |
1 |
0 |
0 |
0.149 |
| 6 |
8 |
|
A |
27 |
8 |
10209 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
23 |
13 |
10204 |
215.1 |
-3.3 |
0.297 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[MES]B:212 |
12 |
1 |
331 |
f |
B |
x,y,z |
1_555 |
29 |
11 |
10204 |
155.5 |
4.4 |
0.216 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[MES]A:212 |
11 |
1 |
331 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
10209 |
151.5 |
4.4 |
0.265 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
B |
15 |
5 |
10204 |
◊ |
B |
-x,y,-z |
2_555 |
15 |
5 |
10204 |
133.9 |
-1.7 |
0.402 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
B |
14 |
6 |
10204 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
14 |
6 |
10204 |
126.5 |
2.8 |
0.942 |
2 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[N11]B:211 |
14 |
1 |
464 |
f |
[GSH]B:210 |
x,y,z |
1_555 |
9 |
1 |
498 |
101.8 |
-3.0 |
0.641 |
1 |
0 |
0 |
0.103 |
14 |
|
[N11]A:211 |
15 |
1 |
480 |
f |
[GSH]A:210 |
x,y,z |
1_555 |
9 |
1 |
501 |
96.9 |
-2.6 |
0.693 |
1 |
0 |
0 |
0.103 |
| Average: |
99.4 |
-2.8 |
0.667 |
1 |
0 |
0 |
0.103 |
| 12 |
15 |
|
B |
9 |
3 |
10204 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
8 |
2 |
10209 |
81.7 |
0.2 |
0.726 |
2 |
0 |
0 |
0.000 |
| 13 |
16 |
|
A |
8 |
2 |
10209 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
8 |
2 |
10204 |
72.5 |
0.1 |
0.701 |
1 |
1 |
0 |
0.000 |
| 14 |
17 |
|
[SO4]B:213 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
10204 |
58.5 |
-7.9 |
0.800 |
2 |
0 |
0 |
0.140 |
| 15 |
18 |
|
[SO4]B:213 |
4 |
1 |
184 |
f |
[MES]B:212 |
x,y,z |
1_555 |
7 |
1 |
331 |
52.6 |
-5.5 |
0.105 |
0 |
0 |
0 |
0.088 |
| 16 |
19 |
|
A |
7 |
2 |
10209 |
◊ |
[MES]B:212 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
331 |
52.1 |
1.2 |
0.308 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[MES]A:212 |
3 |
1 |
331 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
10204 |
48.1 |
1.3 |
0.430 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
B |
7 |
2 |
10204 |
◊ |
B |
-x+1,y,-z |
2_655 |
7 |
2 |
10204 |
42.1 |
0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
B |
5 |
1 |
10204 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
6 |
3 |
10209 |
40.8 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[GSH]B:210 |
3 |
1 |
498 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10209 |
35.3 |
0.2 |
0.728 |
1 |
0 |
0 |
0.007 |
24 |
|
[GSH]A:210 |
3 |
1 |
501 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10204 |
34.9 |
0.2 |
0.742 |
1 |
0 |
0 |
0.007 |
| Average: |
35.1 |
0.2 |
0.735 |
1 |
0 |
0 |
0.007 |
| 21 |
25 |
|
A |
6 |
3 |
10209 |
◊ |
A |
-x,y,-z |
2_555 |
6 |
3 |
10209 |
29.3 |
-0.3 |
0.557 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
B |
1 |
1 |
10204 |
◊ |
A |
-x+1,y,-z |
2_655 |
1 |
1 |
10209 |
6.7 |
0.2 |
0.843 |
0 |
0 |
0 |
0.000 |
|