| ## |
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 |
62 |
22 |
13423 |
◊ |
A |
x,y,z |
1_555 |
59 |
21 |
13207 |
555.5 |
-7.5 |
0.177 |
4 |
0 |
0 |
0.006 |
| 2 |
2 |
|
B |
55 |
15 |
13423 |
◊ |
A |
-y,x,z-1/4 |
3_554 |
52 |
16 |
13207 |
451.7 |
-3.1 |
0.465 |
5 |
9 |
0 |
0.040 |
| 3 |
3 |
|
B |
47 |
14 |
13423 |
x |
B |
-y,x+1,z-1/4 |
3_564 |
41 |
13 |
13423 |
380.1 |
-1.9 |
0.363 |
3 |
0 |
0 |
0.000 |
4 |
|
A |
38 |
12 |
13207 |
x |
A |
-y+1,x,z-1/4 |
3_654 |
45 |
10 |
13207 |
359.0 |
-3.7 |
0.297 |
3 |
0 |
0 |
0.000 |
| Average: |
369.6 |
-2.8 |
0.330 |
3 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[MPD]A:4984 |
7 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
13423 |
105.5 |
-6.5 |
0.644 |
0 |
0 |
0 |
0.039 |
| 5 |
6 |
|
[SO4]A:7 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13207 |
91.3 |
-12.9 |
0.723 |
3 |
0 |
0 |
0.085 |
| 6 |
7 |
|
[MPD]A:4984 |
5 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
13207 |
84.9 |
-4.1 |
0.847 |
0 |
0 |
0 |
0.002 |
| 7 |
8 |
|
[SO4]B:5 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
13423 |
81.6 |
-12.0 |
0.711 |
2 |
0 |
0 |
0.077 |
| 8 |
9 |
|
[SO4]B:6 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
13423 |
74.2 |
-10.1 |
0.779 |
1 |
0 |
0 |
0.063 |
| 9 |
10 |
|
[SO4]A:731 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13207 |
73.1 |
-10.9 |
0.698 |
1 |
0 |
0 |
0.067 |
| 10 |
11 |
|
[SO4]B:731 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
13423 |
71.6 |
-10.7 |
0.679 |
4 |
0 |
0 |
0.074 |
| 11 |
12 |
|
[SO4]A:732 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13207 |
64.9 |
-9.4 |
0.646 |
1 |
0 |
0 |
0.059 |
| 12 |
13 |
|
[CA]A:1 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13207 |
44.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.116 |
14 |
|
[CA]B:1 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
13423 |
41.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.116 |
| Average: |
43.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.116 |
| 13 |
15 |
|
[CA]B:4 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
13423 |
44.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.136 |
16 |
|
[CA]A:4 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
13207 |
40.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.136 |
| Average: |
42.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.136 |
| 14 |
17 |
|
[CA]B:2 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
13423 |
44.0 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.139 |
18 |
|
[CA]A:2 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
13207 |
38.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
41.0 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.139 |
| 15 |
19 |
|
B |
5 |
1 |
13423 |
◊ |
[SO4]A:731 |
-y,x,z-1/4 |
3_554 |
4 |
1 |
186 |
35.0 |
-3.8 |
0.826 |
2 |
0 |
0 |
0.028 |
| 16 |
20 |
|
[SO4]B:5 |
4 |
1 |
187 |
◊ |
A |
-y,x,z-1/4 |
3_554 |
2 |
1 |
13207 |
26.6 |
-2.1 |
0.972 |
1 |
0 |
0 |
0.015 |
| 17 |
21 |
|
[CA]A:3 |
1 |
1 |
85 |
f |
[CA]A:2 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.020 |
| 18 |
22 |
|
[CA]B:4 |
1 |
1 |
85 |
f |
[CA]B:1 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.013 |
| 19 |
23 |
|
[CA]A:4 |
1 |
1 |
85 |
f |
[CA]A:3 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| 20 |
24 |
|
[CA]B:3 |
1 |
1 |
85 |
f |
[CA]B:2 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
| 21 |
25 |
|
[SO4]B:8 |
1 |
1 |
185 |
f |
A |
-y,x,z-1/4 |
3_554 |
1 |
1 |
13207 |
3.4 |
-0.4 |
0.873 |
0 |
0 |
0 |
0.002 |
| 22 |
26 |
|
[CA]B:4 |
1 |
1 |
85 |
f |
[CA]B:3 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.006 |
| 23 |
27 |
|
[CA]A:4 |
1 |
1 |
85 |
f |
[CA]A:1 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
|