| ## |
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 |
|
C |
123 |
36 |
12491 |
◊ |
B |
x,y,z |
1_555 |
125 |
34 |
12522 |
1178.4 |
-17.6 |
0.068 |
14 |
2 |
0 |
0.297 |
2 |
|
B |
120 |
35 |
12522 |
◊ |
A |
x,y,z |
1_555 |
122 |
34 |
12804 |
1177.4 |
-17.9 |
0.061 |
16 |
2 |
0 |
0.297 |
3 |
|
C |
126 |
36 |
12491 |
◊ |
A |
x,y,z |
1_555 |
124 |
36 |
12804 |
1172.7 |
-18.7 |
0.056 |
14 |
2 |
0 |
0.297 |
| Average: |
1176.2 |
-18.1 |
0.062 |
15 |
2 |
0 |
0.297 |
| 2 |
4 |
|
[CO8]C:305 |
46 |
1 |
1117 |
f |
C |
x,y,z |
1_555 |
67 |
31 |
12491 |
568.6 |
7.8 |
0.522 |
6 |
0 |
0 |
0.000 |
5 |
|
[CO8]A:304 |
47 |
1 |
1100 |
f |
A |
x,y,z |
1_555 |
66 |
30 |
12804 |
564.2 |
8.6 |
0.506 |
6 |
0 |
0 |
0.000 |
6 |
|
[CO8]B:304 |
32 |
1 |
725 |
f |
B |
x,y,z |
1_555 |
30 |
12 |
12522 |
290.6 |
2.3 |
0.615 |
4 |
0 |
0 |
0.000 |
| Average: |
474.5 |
6.2 |
0.548 |
5 |
0 |
0 |
0.000 |
| 3 |
7 |
|
[GOL]A:306 |
6 |
1 |
225 |
f |
A |
x,y,z |
1_555 |
30 |
13 |
12804 |
152.3 |
-0.0 |
0.639 |
5 |
0 |
0 |
0.009 |
| 4 |
8 |
|
[GOL]B:306 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
28 |
10 |
12522 |
149.8 |
-0.1 |
0.636 |
4 |
0 |
0 |
0.007 |
| 5 |
9 |
|
[GOL]C:308 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
30 |
11 |
12491 |
149.7 |
-0.2 |
0.640 |
3 |
0 |
0 |
0.006 |
| 6 |
10 |
|
[GOL]B:305 |
6 |
1 |
224 |
f |
B |
x,y,z |
1_555 |
23 |
15 |
12522 |
147.8 |
-0.6 |
0.569 |
5 |
0 |
0 |
0.011 |
| 7 |
11 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
12522 |
110.2 |
-16.6 |
0.785 |
3 |
0 |
0 |
0.071 |
| 8 |
12 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
12804 |
105.8 |
-16.2 |
0.776 |
3 |
0 |
0 |
0.070 |
| 9 |
13 |
|
[GOL]C:307 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
24 |
15 |
12491 |
100.8 |
-0.8 |
0.507 |
4 |
0 |
0 |
0.010 |
| 10 |
14 |
|
[SO4]C:303 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
12491 |
99.8 |
-14.8 |
0.779 |
3 |
0 |
0 |
0.064 |
| 11 |
15 |
|
[GOL]A:305 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
23 |
14 |
12804 |
96.8 |
-0.6 |
0.475 |
4 |
0 |
0 |
0.010 |
| 12 |
16 |
|
[SO4]B:301 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
12522 |
96.6 |
-14.7 |
0.775 |
4 |
0 |
0 |
0.065 |
| 13 |
17 |
|
[GOL]C:306 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
12491 |
94.9 |
-0.1 |
0.567 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[SO4]A:301 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12804 |
89.4 |
-13.6 |
0.846 |
6 |
0 |
0 |
0.065 |
| 15 |
19 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12522 |
89.2 |
-13.7 |
0.833 |
5 |
0 |
0 |
0.063 |
| 16 |
20 |
|
[SO4]C:301 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
12491 |
89.2 |
-13.4 |
0.852 |
6 |
0 |
0 |
0.064 |
| 17 |
21 |
|
[SO4]C:304 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
12491 |
84.7 |
-12.1 |
0.649 |
0 |
0 |
0 |
0.048 |
| 18 |
22 |
|
[SO4]A:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
12522 |
84.2 |
-12.4 |
0.649 |
0 |
0 |
0 |
0.049 |
| 19 |
23 |
|
[SO4]C:302 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
12804 |
83.8 |
-11.9 |
0.651 |
0 |
0 |
0 |
0.047 |
| 20 |
24 |
|
[GOL]C:307 |
6 |
1 |
221 |
f |
[CO8]C:305 |
x,y,z |
1_555 |
9 |
1 |
1117 |
78.5 |
1.9 |
0.541 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[GOL]A:305 |
6 |
1 |
222 |
f |
[CO8]A:304 |
x,y,z |
1_555 |
7 |
1 |
1100 |
74.6 |
1.4 |
0.523 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[GOL]B:307 |
4 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
12491 |
49.3 |
-1.2 |
0.324 |
0 |
0 |
0 |
0.005 |
| 23 |
27 |
|
[SO4]C:302 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
12491 |
49.0 |
-6.1 |
0.719 |
2 |
0 |
0 |
0.028 |
| 24 |
28 |
|
[GOL]B:307 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12522 |
48.0 |
-0.3 |
0.466 |
1 |
0 |
0 |
0.003 |
| 25 |
29 |
|
[SO4]C:304 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
12522 |
47.0 |
-5.9 |
0.718 |
2 |
0 |
0 |
0.027 |
| 26 |
30 |
|
[SO4]A:303 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12804 |
46.2 |
-5.8 |
0.738 |
1 |
0 |
0 |
0.025 |
| 27 |
31 |
|
[GOL]B:307 |
5 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12804 |
31.4 |
-0.2 |
0.555 |
1 |
0 |
0 |
0.003 |
| 28 |
32 |
|
[GOL]C:308 |
2 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12804 |
20.5 |
0.1 |
0.646 |
1 |
0 |
0 |
0.001 |
| 29 |
33 |
|
[GOL]B:306 |
2 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12491 |
17.6 |
0.2 |
0.666 |
1 |
0 |
0 |
0.001 |
| 30 |
34 |
|
[GOL]A:306 |
3 |
1 |
225 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12522 |
17.4 |
0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[SO4]B:303 |
3 |
1 |
186 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
3 |
1 |
186 |
10.4 |
-2.3 |
0.992 |
0 |
0 |
0 |
0.009 |
|