| ## |
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 |
|
A |
65 |
21 |
5603 |
x |
A |
-x,y-1/2,-z |
2_545 |
66 |
23 |
5603 |
625.9 |
-2.6 |
0.490 |
10 |
0 |
0 |
0.000 |
2 |
|
B |
65 |
23 |
5584 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
62 |
21 |
5584 |
621.1 |
-3.0 |
0.460 |
10 |
0 |
0 |
0.000 |
| Average: |
623.5 |
-2.8 |
0.475 |
10 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
50 |
18 |
5584 |
◊ |
A |
x,y,z |
1_555 |
51 |
19 |
5603 |
486.3 |
-6.8 |
0.177 |
8 |
0 |
0 |
0.111 |
| 3 |
4 |
|
B |
22 |
7 |
5584 |
x |
B |
x-1,y,z |
1_455 |
22 |
8 |
5584 |
207.8 |
-1.5 |
0.458 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
22 |
7 |
5603 |
x |
A |
x-1,y,z |
1_455 |
23 |
7 |
5603 |
203.3 |
-1.7 |
0.423 |
2 |
0 |
0 |
0.000 |
| Average: |
205.6 |
-1.6 |
0.441 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[MBT]A:1111 |
19 |
1 |
478 |
◊ |
A |
x,y,z |
1_555 |
27 |
5 |
5603 |
181.5 |
-0.8 |
0.421 |
0 |
0 |
0 |
0.009 |
| 5 |
7 |
|
[MBT]A:1111 |
18 |
1 |
478 |
f |
B |
x,y,z |
1_555 |
28 |
5 |
5584 |
179.9 |
-1.8 |
0.376 |
0 |
0 |
0 |
0.020 |
| 6 |
8 |
|
[SO4]A:1112 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
5603 |
104.0 |
-14.0 |
0.789 |
4 |
0 |
0 |
0.171 |
| 7 |
9 |
|
[GOL]B:1113 |
6 |
1 |
217 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
16 |
4 |
5584 |
91.7 |
1.0 |
0.749 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[SO4]A:1114 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
5603 |
81.2 |
-10.5 |
0.805 |
3 |
0 |
0 |
0.128 |
| 9 |
11 |
|
B |
8 |
4 |
5584 |
x |
B |
x,y-1,z |
1_545 |
9 |
5 |
5584 |
76.5 |
1.4 |
0.689 |
1 |
0 |
0 |
0.000 |
12 |
|
A |
10 |
3 |
5603 |
x |
A |
x,y-1,z |
1_545 |
7 |
3 |
5603 |
62.1 |
0.6 |
0.566 |
1 |
0 |
0 |
0.000 |
| Average: |
69.3 |
1.0 |
0.627 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[SO4]B:1111 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
5584 |
73.4 |
-10.9 |
0.698 |
2 |
0 |
0 |
0.127 |
| 11 |
14 |
|
[SO4]A:1113 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
5603 |
71.6 |
-10.6 |
0.680 |
2 |
0 |
0 |
0.124 |
| 12 |
15 |
|
[GOL]B:1113 |
4 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
5584 |
65.2 |
0.2 |
0.698 |
4 |
0 |
0 |
0.017 |
| 13 |
16 |
|
[SO4]B:1112 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
5584 |
62.4 |
-7.5 |
0.934 |
3 |
0 |
0 |
0.000 |
| 14 |
17 |
|
B |
6 |
3 |
5584 |
f |
[SO4]B:1112 |
x,y-1,z |
1_545 |
4 |
1 |
187 |
62.0 |
-8.2 |
0.724 |
2 |
0 |
0 |
0.098 |
| 15 |
18 |
|
A |
6 |
3 |
5603 |
f |
[SO4]A:1115 |
x,y-1,z |
1_545 |
4 |
1 |
187 |
60.9 |
-7.6 |
0.917 |
3 |
0 |
0 |
0.096 |
| 16 |
19 |
|
[SO4]A:1115 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
5603 |
56.6 |
-7.8 |
0.610 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[SO4]A:1113 |
3 |
1 |
185 |
◊ |
[MBT]A:1111 |
x,y,z |
1_555 |
2 |
1 |
478 |
32.8 |
-3.0 |
0.896 |
0 |
0 |
0 |
0.032 |
| 18 |
21 |
|
[SO4]B:1111 |
3 |
1 |
185 |
f |
[MBT]A:1111 |
x,y,z |
1_555 |
2 |
1 |
478 |
30.9 |
-4.0 |
0.574 |
0 |
0 |
0 |
0.043 |
| 19 |
22 |
|
B |
3 |
1 |
5584 |
◊ |
[GOL]B:1113 |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
217 |
27.7 |
-0.5 |
0.307 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
B |
3 |
1 |
5584 |
◊ |
[SO4]B:1112 |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
187 |
21.7 |
-2.6 |
0.849 |
1 |
0 |
0 |
0.000 |
| 21 |
24 |
|
A |
3 |
1 |
5603 |
◊ |
[SO4]A:1115 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
187 |
21.6 |
-2.5 |
0.858 |
1 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[SO4]A:1112 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
5584 |
17.5 |
-2.0 |
0.739 |
0 |
0 |
0 |
0.022 |
| 23 |
26 |
|
[SO4]A:1113 |
1 |
1 |
185 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
5603 |
13.3 |
-1.4 |
0.835 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[SO4]B:1111 |
1 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
5584 |
10.4 |
-1.1 |
0.821 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[MBT]A:1111 |
1 |
1 |
478 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
5603 |
8.7 |
-0.0 |
0.531 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[MBT]A:1111 |
1 |
1 |
478 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
5584 |
7.9 |
-0.1 |
0.491 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[SO4]A:1114 |
1 |
1 |
188 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
2 |
5603 |
3.1 |
-0.4 |
0.722 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
B |
2 |
2 |
5584 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
2 |
5603 |
1.2 |
-0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[SO4]A:1112 |
1 |
1 |
188 |
◊ |
[MBT]A:1111 |
x,y,z |
1_555 |
1 |
1 |
478 |
1.0 |
-0.1 |
0.707 |
0 |
0 |
0 |
0.002 |
|