| ## |
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 |
50 |
18 |
14254 |
◊ |
A |
x,y,z |
1_555 |
51 |
18 |
14079 |
543.2 |
-10.1 |
0.018 |
2 |
0 |
0 |
0.000 |
| 2 |
2 |
|
[37J]A:1007 |
34 |
1 |
704 |
f |
A |
x,y,z |
1_555 |
67 |
26 |
14079 |
415.5 |
2.6 |
0.214 |
5 |
0 |
0 |
0.000 |
3 |
|
[37J]B:1008 |
34 |
1 |
701 |
f |
B |
x,y,z |
1_555 |
67 |
25 |
14254 |
412.5 |
2.1 |
0.204 |
4 |
0 |
0 |
0.000 |
| Average: |
414.0 |
2.3 |
0.209 |
5 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
40 |
11 |
14254 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
39 |
11 |
14079 |
357.3 |
0.9 |
0.674 |
2 |
1 |
0 |
0.000 |
| 4 |
5 |
|
A |
38 |
12 |
14079 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
6 |
14254 |
354.3 |
-2.6 |
0.317 |
5 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
28 |
5 |
14254 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
13 |
14079 |
289.3 |
-0.5 |
0.460 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
24 |
5 |
14254 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
36 |
9 |
14079 |
267.4 |
0.7 |
0.654 |
1 |
2 |
0 |
0.000 |
| 7 |
8 |
|
A |
31 |
13 |
14079 |
x |
A |
x-1,y,z |
1_455 |
32 |
10 |
14079 |
232.4 |
-1.7 |
0.402 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
23 |
8 |
14254 |
x |
B |
x-1,y,z |
1_455 |
27 |
14 |
14254 |
215.0 |
-0.5 |
0.526 |
1 |
1 |
0 |
0.000 |
| 9 |
10 |
|
[BOG]A:1006 |
17 |
1 |
504 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
14079 |
154.4 |
2.1 |
0.121 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[BOG]A:1008 |
13 |
1 |
513 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
14254 |
137.3 |
1.5 |
0.144 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[BOG]A:1008 |
14 |
1 |
513 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
14079 |
121.8 |
0.8 |
0.075 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[SO4]B:1002 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
14254 |
112.1 |
-15.2 |
0.892 |
4 |
0 |
0 |
0.030 |
| 13 |
14 |
|
[SO4]A:1002 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14079 |
110.2 |
-15.5 |
0.850 |
4 |
0 |
0 |
0.030 |
| 14 |
15 |
|
[SO4]B:1003 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14254 |
96.9 |
-14.2 |
0.811 |
4 |
0 |
0 |
0.029 |
| 15 |
16 |
|
[BOG]A:1006 |
9 |
1 |
504 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
14254 |
93.5 |
0.5 |
0.156 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[SO4]A:1003 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14079 |
92.5 |
-13.4 |
0.844 |
4 |
0 |
0 |
0.027 |
| 17 |
18 |
|
[GOL]A:1005 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
14079 |
90.5 |
0.1 |
0.608 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[SO4]A:1004 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
14079 |
87.3 |
-12.9 |
0.906 |
4 |
0 |
0 |
0.026 |
| 19 |
20 |
|
[SO4]B:1001 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14254 |
85.3 |
-10.9 |
0.916 |
5 |
0 |
0 |
0.024 |
| 20 |
21 |
|
[GOL]B:1005 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
14254 |
83.3 |
-0.7 |
0.446 |
1 |
0 |
0 |
0.002 |
| 21 |
22 |
|
[SO4]A:1001 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14079 |
81.2 |
-10.2 |
0.939 |
6 |
0 |
0 |
0.023 |
| 22 |
23 |
|
[SO4]B:1004 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
14254 |
80.7 |
-9.4 |
0.953 |
4 |
0 |
0 |
0.020 |
| 23 |
24 |
|
[GOL]B:1006 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14254 |
77.3 |
0.3 |
0.637 |
3 |
0 |
0 |
0.002 |
| 24 |
25 |
|
[37J]A:1007 |
13 |
1 |
704 |
◊ |
[BOG]A:1006 |
x,y,z |
1_555 |
7 |
1 |
504 |
75.5 |
2.8 |
0.191 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[37J]B:1008 |
12 |
1 |
701 |
◊ |
[BOG]A:1008 |
x,y,z |
1_555 |
8 |
1 |
513 |
69.0 |
2.6 |
0.158 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[DMS]B:1007 |
3 |
1 |
205 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
14254 |
67.7 |
1.5 |
0.421 |
1 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[SO4]B:1004 |
4 |
1 |
187 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
8 |
4 |
14079 |
50.5 |
-5.9 |
0.832 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[GOL]B:1005 |
5 |
1 |
220 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
6 |
3 |
14079 |
49.2 |
-0.9 |
0.408 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[37J]A:1007 |
3 |
1 |
704 |
f |
[BOG]A:1008 |
x,y,z |
1_555 |
7 |
1 |
513 |
46.7 |
2.4 |
0.263 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[37J]B:1008 |
4 |
1 |
701 |
f |
[BOG]A:1006 |
x,y,z |
1_555 |
6 |
1 |
504 |
43.2 |
2.5 |
0.357 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
B |
3 |
1 |
14254 |
◊ |
[GOL]A:1005 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
217 |
27.5 |
0.3 |
0.739 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[GOL]B:1006 |
2 |
1 |
221 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
14254 |
22.0 |
-0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[DMS]B:1007 |
1 |
1 |
205 |
f |
[SO4]B:1002 |
x,y,z |
1_555 |
3 |
1 |
186 |
9.4 |
-0.6 |
0.704 |
0 |
0 |
0 |
0.001 |
| 34 |
35 |
|
[37J]B:1008 |
3 |
1 |
701 |
◊ |
[37J]A:1007 |
x,y,z |
1_555 |
3 |
1 |
704 |
8.0 |
0.5 |
0.302 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
B |
1 |
1 |
14254 |
◊ |
[SO4]A:1004 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
185 |
7.8 |
-1.0 |
0.480 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
A |
1 |
1 |
14079 |
x |
A |
x,y,z-1 |
1_554 |
3 |
2 |
14079 |
7.1 |
-0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[SO4]B:1003 |
1 |
1 |
186 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
14079 |
0.1 |
-0.0 |
0.789 |
0 |
0 |
0 |
0.000 |
|