| ## |
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 |
127 |
38 |
13642 |
◊ |
A |
x,y,z |
1_555 |
125 |
38 |
13598 |
1263.8 |
-5.1 |
0.566 |
16 |
9 |
0 |
0.104 |
| 2 |
2 |
|
A |
58 |
16 |
13598 |
◊ |
B |
x-1,y,z |
1_455 |
57 |
17 |
13642 |
550.4 |
-2.3 |
0.568 |
4 |
1 |
0 |
0.000 |
| 3 |
3 |
|
[N7Q]B:1105 |
40 |
1 |
816 |
cf |
B |
x,y,z |
1_555 |
74 |
25 |
13642 |
548.8 |
-13.4 |
0.339 |
2 |
0 |
0 |
0.221 |
4 |
|
[N7Q]A:1101 |
39 |
1 |
823 |
cf |
A |
x,y,z |
1_555 |
74 |
28 |
13598 |
542.1 |
-13.5 |
0.322 |
2 |
0 |
0 |
0.221 |
| Average: |
545.4 |
-13.5 |
0.331 |
2 |
0 |
0 |
0.221 |
| 4 |
5 |
|
B |
53 |
14 |
13642 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
57 |
18 |
13598 |
503.5 |
0.5 |
0.640 |
5 |
2 |
0 |
0.000 |
| 5 |
6 |
|
A |
51 |
15 |
13598 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
49 |
17 |
13642 |
461.7 |
-0.0 |
0.696 |
8 |
1 |
0 |
0.000 |
| 6 |
7 |
|
A |
44 |
14 |
13598 |
x |
A |
-x-3/2,-y,z-1/2 |
2_354 |
33 |
10 |
13598 |
325.0 |
-5.8 |
0.127 |
5 |
1 |
0 |
0.000 |
| 7 |
8 |
|
B |
24 |
9 |
13642 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
23 |
7 |
13598 |
219.5 |
-4.0 |
0.190 |
0 |
1 |
0 |
0.000 |
| 8 |
9 |
|
[SO4]B:1102 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
13642 |
99.4 |
-15.1 |
0.797 |
6 |
0 |
0 |
0.136 |
| 9 |
10 |
|
[SO4]B:1101 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
13598 |
84.2 |
-10.3 |
0.851 |
4 |
0 |
0 |
0.093 |
| 10 |
11 |
|
[EDO]B:1103 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
13642 |
80.0 |
2.6 |
0.529 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[SO4]A:1104 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
13642 |
79.5 |
-10.2 |
0.814 |
3 |
0 |
0 |
0.089 |
| 12 |
13 |
|
[SO4]A:1105 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
13598 |
73.0 |
-9.3 |
0.905 |
2 |
0 |
0 |
0.079 |
| 13 |
14 |
|
A |
10 |
4 |
13598 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
8 |
4 |
13642 |
69.8 |
-1.1 |
0.385 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[SO4]A:1105 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
13642 |
66.7 |
-7.4 |
0.944 |
3 |
0 |
0 |
0.067 |
| 15 |
16 |
|
[SO4]B:1101 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13642 |
65.7 |
-9.1 |
0.860 |
2 |
0 |
0 |
0.077 |
| 16 |
17 |
|
B |
5 |
1 |
13642 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
2 |
13642 |
62.0 |
1.4 |
0.863 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]A:1103 |
3 |
1 |
184 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
11 |
5 |
13642 |
61.5 |
1.4 |
0.485 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[SO4]A:1104 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13598 |
61.5 |
-8.4 |
0.844 |
2 |
0 |
0 |
0.071 |
| 19 |
20 |
|
[EDO]A:1102 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
13598 |
59.4 |
1.3 |
0.837 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[CL]B:1104 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
13642 |
58.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.057 |
| 21 |
22 |
|
A |
11 |
5 |
13598 |
x |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
8 |
3 |
13598 |
58.1 |
0.8 |
0.755 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
A |
5 |
3 |
13598 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
13642 |
57.0 |
-0.6 |
0.376 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[EDO]A:1103 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
13598 |
53.5 |
1.6 |
0.920 |
1 |
0 |
0 |
0.000 |
| 24 |
25 |
|
A |
7 |
3 |
13598 |
◊ |
[EDO]B:1103 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
183 |
47.6 |
1.6 |
0.265 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[EDO]A:1102 |
4 |
1 |
184 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
13642 |
44.3 |
1.2 |
0.740 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[EDO]A:1102 |
4 |
1 |
184 |
f |
[N7Q]A:1101 |
x,y,z |
1_555 |
10 |
1 |
823 |
43.7 |
0.4 |
0.908 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[EDO]A:1103 |
3 |
1 |
184 |
f |
[N7Q]A:1101 |
x,y,z |
1_555 |
4 |
1 |
823 |
37.6 |
0.3 |
0.813 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]A:1103 |
2 |
1 |
184 |
f |
[EDO]A:1102 |
x,y,z |
1_555 |
3 |
1 |
184 |
19.8 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[SO4]B:1102 |
3 |
1 |
187 |
f |
[N7Q]B:1105 |
x,y,z |
1_555 |
2 |
1 |
816 |
19.5 |
-2.7 |
0.732 |
0 |
0 |
0 |
0.021 |
| 30 |
31 |
|
[EDO]A:1102 |
2 |
1 |
184 |
◊ |
[EDO]B:1103 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
183 |
16.3 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[SO4]A:1105 |
3 |
1 |
185 |
◊ |
[SO4]A:1104 |
x,y,z |
1_555 |
3 |
1 |
184 |
13.2 |
-3.1 |
0.992 |
0 |
0 |
0 |
0.024 |
| 32 |
33 |
|
[SO4]B:1101 |
1 |
1 |
185 |
f |
[SO4]A:1105 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.5 |
-1.1 |
0.800 |
0 |
0 |
0 |
0.008 |
| 33 |
34 |
|
[N7Q]A:1101 |
1 |
1 |
823 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
13642 |
0.4 |
0.0 |
0.721 |
0 |
0 |
0 |
0.000 |
|