| ## |
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 |
172 |
45 |
6891 |
◊ |
A |
x,y,z |
1_555 |
167 |
46 |
7124 |
1620.5 |
-15.9 |
0.116 |
24 |
0 |
0 |
0.187 |
| 2 |
2 |
|
B |
63 |
16 |
6891 |
◊ |
B |
-x+1,y,-z |
2_655 |
62 |
16 |
6891 |
525.3 |
1.8 |
0.795 |
8 |
0 |
0 |
0.017 |
3 |
|
A |
54 |
13 |
7124 |
◊ |
A |
-x+1,y,-z |
2_655 |
54 |
13 |
7124 |
479.5 |
-0.5 |
0.627 |
4 |
0 |
0 |
0.017 |
| Average: |
502.4 |
0.7 |
0.711 |
6 |
0 |
0 |
0.017 |
| 3 |
4 |
|
B |
43 |
14 |
6891 |
◊ |
A |
-x,y,-z |
2_555 |
37 |
13 |
7124 |
373.4 |
-1.2 |
0.522 |
2 |
10 |
0 |
0.024 |
| 4 |
5 |
|
A |
44 |
10 |
7124 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
40 |
9 |
6891 |
364.9 |
-3.0 |
0.354 |
4 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
24 |
7 |
6891 |
◊ |
B |
-x+1,y,-z-1 |
2_654 |
24 |
7 |
6891 |
248.6 |
0.1 |
0.624 |
4 |
2 |
0 |
0.000 |
7 |
|
A |
18 |
6 |
7124 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
18 |
6 |
7124 |
198.6 |
-0.4 |
0.558 |
2 |
0 |
0 |
0.000 |
| Average: |
223.6 |
-0.2 |
0.591 |
3 |
1 |
0 |
0.000 |
| 6 |
8 |
|
A |
24 |
10 |
7124 |
◊ |
A |
-x,y,-z |
2_555 |
24 |
10 |
7124 |
221.2 |
-0.3 |
0.586 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[SO4]B:1004 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
6891 |
98.7 |
-14.9 |
0.667 |
0 |
0 |
0 |
0.202 |
| 8 |
10 |
|
[SO4]B:1005 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
6891 |
96.4 |
-15.6 |
0.680 |
1 |
0 |
0 |
0.217 |
| 9 |
11 |
|
[SO4]B:1006 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
6891 |
90.8 |
-13.3 |
0.788 |
3 |
0 |
0 |
0.199 |
| 10 |
12 |
|
[SO4]A:1003 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
7124 |
86.6 |
-12.0 |
0.794 |
4 |
0 |
0 |
0.206 |
| 11 |
13 |
|
[SO4]A:1001 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
7124 |
66.5 |
-10.1 |
0.618 |
2 |
0 |
0 |
0.164 |
| 12 |
14 |
|
[SO4]A:1008 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7124 |
65.5 |
-9.4 |
0.653 |
0 |
0 |
0 |
0.140 |
| 13 |
15 |
|
[SO4]A:1002 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7124 |
65.1 |
-9.5 |
0.714 |
3 |
0 |
0 |
0.161 |
| 14 |
16 |
|
[SO4]A:1001 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
6891 |
62.5 |
-8.4 |
0.693 |
2 |
0 |
0 |
0.065 |
| 15 |
17 |
|
B |
7 |
4 |
6891 |
◊ |
A |
-x+1,y,-z |
2_655 |
4 |
3 |
7124 |
58.7 |
-1.2 |
0.201 |
0 |
0 |
0 |
0.006 |
| 16 |
18 |
|
[SO4]B:1007 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
6891 |
47.9 |
-6.4 |
0.608 |
1 |
0 |
0 |
0.093 |
| 17 |
19 |
|
[SO4]B:1007 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7124 |
45.0 |
-4.9 |
0.906 |
1 |
0 |
0 |
0.037 |
| 18 |
20 |
|
[SO4]A:1008 |
5 |
1 |
187 |
◊ |
B |
-x,y,-z |
2_555 |
5 |
2 |
6891 |
44.1 |
-5.6 |
0.631 |
1 |
0 |
0 |
0.040 |
| 19 |
21 |
|
[ZN]A:359 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
6 |
3 |
7124 |
39.1 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.313 |
22 |
|
[ZN]B:358 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
4 |
2 |
6891 |
37.6 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.313 |
| Average: |
38.3 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.313 |
| 20 |
23 |
|
[SO4]A:1002 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6891 |
31.9 |
-3.4 |
0.891 |
1 |
0 |
0 |
0.027 |
| 21 |
24 |
|
[ZN]A:359 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
2 |
1 |
6891 |
9.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.037 |
25 |
|
[ZN]B:358 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
2 |
1 |
7124 |
6.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
7.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.037 |
| 22 |
26 |
|
B |
2 |
1 |
6891 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
7124 |
4.7 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
|