| ## |
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 |
124 |
33 |
6781 |
◊ |
A |
x,y,z |
1_555 |
119 |
29 |
6918 |
1113.9 |
-11.7 |
0.246 |
17 |
0 |
0 |
0.481 |
2 |
|
C |
114 |
28 |
6791 |
◊ |
A |
x,y,z |
1_555 |
122 |
32 |
6918 |
1056.9 |
-12.8 |
0.207 |
14 |
0 |
0 |
0.481 |
3 |
|
C |
116 |
31 |
6791 |
◊ |
B |
x,y,z |
1_555 |
116 |
29 |
6781 |
1031.3 |
-12.0 |
0.192 |
15 |
0 |
0 |
0.481 |
| Average: |
1067.4 |
-12.2 |
0.215 |
15 |
0 |
0 |
0.481 |
| 2 |
4 |
|
A |
50 |
13 |
6918 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
50 |
14 |
6791 |
424.1 |
-5.1 |
0.311 |
2 |
0 |
0 |
0.000 |
5 |
|
B |
43 |
15 |
6781 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
42 |
14 |
6791 |
372.4 |
-4.2 |
0.317 |
3 |
0 |
0 |
0.000 |
| Average: |
398.2 |
-4.7 |
0.314 |
3 |
0 |
0 |
0.000 |
| 3 |
6 |
|
[EWD]A:201 |
21 |
1 |
478 |
f |
A |
x,y,z |
1_555 |
42 |
12 |
6918 |
247.3 |
-3.0 |
0.363 |
5 |
0 |
0 |
0.076 |
7 |
|
[EWD]C:201 |
21 |
1 |
476 |
f |
C |
x,y,z |
1_555 |
38 |
12 |
6791 |
239.8 |
-2.9 |
0.350 |
2 |
0 |
0 |
0.076 |
| Average: |
243.6 |
-3.0 |
0.357 |
4 |
0 |
0 |
0.076 |
| 4 |
8 |
|
A |
28 |
8 |
6918 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
23 |
9 |
6781 |
243.6 |
-0.5 |
0.638 |
5 |
0 |
0 |
0.000 |
9 |
|
A |
25 |
9 |
6918 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
31 |
8 |
6791 |
238.4 |
-0.5 |
0.663 |
5 |
0 |
0 |
0.000 |
| Average: |
241.0 |
-0.5 |
0.651 |
5 |
0 |
0 |
0.000 |
| 5 |
10 |
|
C |
19 |
8 |
6791 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
28 |
10 |
6781 |
162.6 |
-0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
| 6 |
11 |
|
A |
15 |
5 |
6918 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
22 |
8 |
6781 |
135.2 |
0.5 |
0.669 |
1 |
0 |
0 |
0.000 |
| 7 |
12 |
|
B |
13 |
5 |
6781 |
◊ |
[EWD]C:201 |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
1 |
476 |
91.8 |
-1.6 |
0.371 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[EWD]A:201 |
8 |
1 |
478 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
13 |
5 |
6791 |
87.5 |
-1.4 |
0.437 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[SO4]B:201 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6781 |
83.0 |
-12.3 |
0.740 |
5 |
0 |
0 |
0.123 |
| 10 |
15 |
|
[SO4]A:202 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
6918 |
77.3 |
-11.5 |
0.785 |
3 |
0 |
0 |
0.109 |
| 11 |
16 |
|
[EWD]A:201 |
6 |
1 |
478 |
◊ |
C |
x,y,z |
1_555 |
11 |
2 |
6791 |
69.7 |
-0.6 |
0.546 |
0 |
0 |
0 |
0.018 |
17 |
|
[EWD]C:201 |
6 |
1 |
476 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
6781 |
67.4 |
-0.6 |
0.534 |
2 |
0 |
0 |
0.018 |
| Average: |
68.6 |
-0.6 |
0.540 |
1 |
0 |
0 |
0.018 |
| 12 |
18 |
|
[SO4]A:203 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
6791 |
56.6 |
-7.2 |
0.820 |
2 |
0 |
0 |
0.068 |
| 13 |
19 |
|
[SO4]A:203 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
6918 |
54.1 |
-6.9 |
0.864 |
2 |
0 |
0 |
0.066 |
| 14 |
20 |
|
[SO4]A:203 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
6781 |
52.0 |
-6.6 |
0.855 |
1 |
0 |
0 |
0.059 |
| 15 |
21 |
|
A |
5 |
2 |
6918 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
6781 |
32.4 |
0.4 |
0.749 |
0 |
0 |
0 |
0.000 |
22 |
|
C |
5 |
2 |
6791 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
3 |
6781 |
26.0 |
-0.6 |
0.392 |
0 |
0 |
0 |
0.000 |
| Average: |
29.2 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
A |
4 |
2 |
6918 |
◊ |
[EWD]C:201 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
476 |
19.7 |
-0.5 |
0.429 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[EWD]A:201 |
3 |
1 |
478 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
6781 |
17.1 |
-0.4 |
0.465 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
A |
1 |
1 |
6918 |
◊ |
[SO4]B:201 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
187 |
2.5 |
-0.3 |
0.855 |
0 |
0 |
0 |
0.000 |
|