| ## |
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 |
10119 |
◊ |
A |
x,y,z |
1_555 |
127 |
34 |
10094 |
1181.8 |
-17.1 |
0.163 |
17 |
4 |
0 |
0.469 |
2 |
|
C |
121 |
32 |
10109 |
◊ |
C |
-x,y,-z+1 |
2_556 |
120 |
32 |
10109 |
1125.7 |
-16.1 |
0.176 |
17 |
4 |
0 |
0.469 |
| Average: |
1153.8 |
-16.6 |
0.169 |
17 |
4 |
0 |
0.469 |
| 2 |
3 |
|
C |
37 |
15 |
10109 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
43 |
13 |
10119 |
370.4 |
-3.3 |
0.515 |
2 |
1 |
0 |
0.000 |
4 |
|
C |
43 |
13 |
10109 |
◊ |
A |
-x,y,-z+1 |
2_556 |
37 |
14 |
10094 |
351.9 |
-3.0 |
0.539 |
2 |
1 |
0 |
0.000 |
| Average: |
361.2 |
-3.1 |
0.527 |
2 |
1 |
0 |
0.000 |
| 3 |
5 |
|
C |
41 |
12 |
10109 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
37 |
12 |
10094 |
356.1 |
-1.2 |
0.704 |
4 |
0 |
0 |
0.000 |
6 |
|
C |
37 |
12 |
10109 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
10094 |
345.8 |
-1.2 |
0.700 |
2 |
0 |
0 |
0.000 |
| Average: |
351.0 |
-1.2 |
0.702 |
3 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[GSH]B:210 |
20 |
1 |
505 |
f |
B |
x,y,z |
1_555 |
42 |
16 |
10119 |
309.7 |
-1.9 |
0.796 |
10 |
0 |
0 |
0.339 |
8 |
|
[GSH]A:211 |
20 |
1 |
506 |
f |
A |
x,y,z |
1_555 |
39 |
14 |
10094 |
298.7 |
-1.2 |
0.823 |
9 |
0 |
0 |
0.339 |
9 |
|
[GSH]C:211 |
20 |
1 |
508 |
f |
C |
x,y,z |
1_555 |
38 |
14 |
10109 |
295.6 |
-1.6 |
0.822 |
8 |
0 |
0 |
0.339 |
| Average: |
301.3 |
-1.6 |
0.814 |
9 |
0 |
0 |
0.339 |
| 5 |
10 |
|
C |
18 |
8 |
10109 |
◊ |
B |
-x,y,-z |
2_555 |
31 |
11 |
10119 |
224.7 |
-2.9 |
0.389 |
2 |
1 |
0 |
0.000 |
| 6 |
11 |
|
[MES]B:211 |
11 |
1 |
352 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
10119 |
163.6 |
4.6 |
0.247 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
B |
17 |
6 |
10119 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
15 |
4 |
10119 |
161.3 |
-2.5 |
0.308 |
0 |
1 |
0 |
0.000 |
| 8 |
13 |
|
[MES]C:212 |
12 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
25 |
8 |
10109 |
134.1 |
3.6 |
0.155 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[MES]C:212 |
8 |
1 |
355 |
◊ |
[MES]C:212 |
-x,y,-z+1 |
2_556 |
8 |
1 |
355 |
81.0 |
4.9 |
0.054 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[SO4]A:210 |
5 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
10094 |
74.7 |
-10.4 |
0.865 |
1 |
0 |
0 |
0.253 |
16 |
|
[SO4]C:210 |
5 |
1 |
193 |
◊ |
C |
-x,y,-z+1 |
2_556 |
15 |
5 |
10109 |
58.2 |
-7.4 |
0.870 |
1 |
0 |
0 |
0.253 |
| Average: |
66.5 |
-8.9 |
0.868 |
1 |
0 |
0 |
0.253 |
| 11 |
17 |
|
[MES]C:212 |
8 |
1 |
355 |
◊ |
C |
-x,y,-z+1 |
2_556 |
13 |
3 |
10109 |
73.9 |
2.6 |
0.229 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[SO4]A:210 |
5 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
10119 |
72.4 |
-10.0 |
0.860 |
1 |
0 |
0 |
0.194 |
| 13 |
19 |
|
[SO4]C:210 |
5 |
1 |
193 |
f |
[SO4]C:210 |
-x,y,-z+1 |
2_556 |
5 |
1 |
193 |
60.8 |
-13.4 |
0.993 |
0 |
0 |
0 |
0.215 |
| 14 |
20 |
|
[SO4]C:210 |
5 |
1 |
193 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
10109 |
56.8 |
-7.2 |
0.893 |
1 |
0 |
0 |
0.247 |
| 15 |
21 |
|
[GSH]A:211 |
3 |
1 |
506 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10119 |
35.3 |
0.2 |
0.749 |
1 |
0 |
0 |
0.008 |
22 |
|
[GSH]C:211 |
3 |
1 |
508 |
◊ |
C |
-x,y,-z+1 |
2_556 |
4 |
2 |
10109 |
35.2 |
0.3 |
0.763 |
1 |
0 |
0 |
0.008 |
23 |
|
[GSH]B:210 |
3 |
1 |
505 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10094 |
34.3 |
0.3 |
0.752 |
1 |
0 |
0 |
0.008 |
| Average: |
34.9 |
0.2 |
0.755 |
1 |
0 |
0 |
0.008 |
| 16 |
24 |
|
C |
2 |
1 |
10109 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10119 |
9.1 |
-0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
B |
2 |
1 |
10119 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
10119 |
7.9 |
0.2 |
0.782 |
0 |
0 |
0 |
0.000 |
|