| ## |
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 |
150 |
39 |
8383 |
◊ |
A |
x,y,z |
1_555 |
147 |
40 |
8392 |
1314.6 |
-17.9 |
0.215 |
21 |
3 |
0 |
0.227 |
| 2 |
2 |
|
B |
52 |
19 |
8383 |
x |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
47 |
12 |
8383 |
431.3 |
-4.9 |
0.414 |
3 |
0 |
0 |
0.000 |
3 |
|
A |
49 |
12 |
8392 |
x |
A |
-y,x-y,z+1/3 |
2_555 |
51 |
18 |
8392 |
429.7 |
-5.6 |
0.348 |
4 |
0 |
0 |
0.000 |
| Average: |
430.5 |
-5.3 |
0.381 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
[G0T]B:1214 |
26 |
1 |
722 |
◊ |
A |
x,y,z |
1_555 |
43 |
11 |
8392 |
287.2 |
3.5 |
0.460 |
0 |
0 |
0 |
0.000 |
5 |
|
[G0T]A:1215 |
24 |
1 |
721 |
◊ |
B |
x,y,z |
1_555 |
44 |
11 |
8383 |
286.4 |
3.2 |
0.490 |
1 |
0 |
0 |
0.000 |
| Average: |
286.8 |
3.4 |
0.475 |
1 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
26 |
8 |
8383 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
21 |
9 |
8392 |
237.0 |
-3.2 |
0.274 |
1 |
0 |
0 |
0.000 |
7 |
|
B |
21 |
10 |
8383 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
23 |
7 |
8392 |
235.4 |
-3.3 |
0.262 |
1 |
0 |
0 |
0.000 |
| Average: |
236.2 |
-3.3 |
0.268 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[G0T]A:1215 |
24 |
1 |
721 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
8392 |
217.3 |
1.1 |
0.310 |
4 |
0 |
0 |
0.013 |
9 |
|
[G0T]B:1214 |
25 |
1 |
722 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
8383 |
215.4 |
0.8 |
0.269 |
4 |
0 |
0 |
0.013 |
| Average: |
216.4 |
1.0 |
0.290 |
4 |
0 |
0 |
0.013 |
| 6 |
10 |
|
A |
11 |
3 |
8392 |
◊ |
B |
-y,x-y,z-2/3 |
2_554 |
12 |
4 |
8383 |
104.4 |
-1.2 |
0.465 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
11 |
4 |
8392 |
◊ |
B |
-y+1,x-y+1,z-2/3 |
2_664 |
12 |
4 |
8383 |
104.0 |
-1.1 |
0.469 |
0 |
0 |
0 |
0.000 |
| Average: |
104.2 |
-1.2 |
0.467 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[ACT]A:1214 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
8392 |
101.5 |
-0.8 |
0.664 |
1 |
0 |
0 |
0.010 |
| 8 |
13 |
|
[ACT]B:1213 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8383 |
100.6 |
-0.8 |
0.661 |
1 |
0 |
0 |
0.010 |
| 9 |
14 |
|
[SO4]A:1211 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8392 |
100.5 |
-14.0 |
0.850 |
3 |
0 |
0 |
0.126 |
| 10 |
15 |
|
[SO4]B:1211 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
8383 |
100.3 |
-13.8 |
0.860 |
4 |
0 |
0 |
0.128 |
| 11 |
16 |
|
[SO4]B:1212 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8383 |
79.6 |
-11.7 |
0.843 |
5 |
0 |
0 |
0.114 |
| 12 |
17 |
|
[SO4]A:1212 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8392 |
78.9 |
-11.6 |
0.845 |
5 |
0 |
0 |
0.113 |
| 13 |
18 |
|
[SO4]A:1210 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8392 |
78.6 |
-11.0 |
0.840 |
4 |
0 |
0 |
0.105 |
| 14 |
19 |
|
[SO4]B:1210 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8383 |
78.1 |
-10.9 |
0.901 |
5 |
0 |
0 |
0.108 |
| 15 |
20 |
|
[SO4]B:1210 |
5 |
1 |
185 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
7 |
2 |
8383 |
61.8 |
-8.1 |
0.872 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[CL]A:1213 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
8392 |
59.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.062 |
| 17 |
22 |
|
A |
6 |
2 |
8392 |
◊ |
[SO4]A:1210 |
-y,x-y,z+1/3 |
2_555 |
5 |
1 |
184 |
52.4 |
-6.8 |
0.889 |
2 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[CL]A:1213 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
8383 |
43.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.045 |
| 19 |
24 |
|
[ACT]B:1213 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8392 |
30.0 |
1.0 |
0.918 |
1 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[ACT]A:1214 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8383 |
29.2 |
0.9 |
0.885 |
1 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[G0T]B:1214 |
5 |
1 |
722 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
8392 |
25.5 |
-0.5 |
0.136 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
1 |
1 |
8383 |
◊ |
[G0T]A:1215 |
-y+1,x-y+1,z+1/3 |
2_665 |
3 |
1 |
721 |
25.1 |
-0.4 |
0.154 |
0 |
0 |
0 |
0.000 |
| Average: |
25.3 |
-0.4 |
0.145 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
B |
3 |
2 |
8383 |
◊ |
[SO4]A:1212 |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
185 |
6.8 |
-0.8 |
0.731 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[SO4]B:1212 |
1 |
1 |
186 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
3 |
2 |
8392 |
4.4 |
-0.5 |
0.842 |
0 |
0 |
0 |
0.000 |
|