| ## |
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 |
166 |
42 |
11100 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
170 |
41 |
10863 |
1678.8 |
-20.2 |
0.150 |
17 |
15 |
0 |
0.625 |
2 |
|
C |
159 |
40 |
10712 |
◊ |
C |
x,x-y,-z+1/6 |
12_555 |
156 |
40 |
10712 |
1628.2 |
-22.4 |
0.090 |
26 |
16 |
0 |
0.625 |
| Average: |
1653.5 |
-21.3 |
0.120 |
22 |
16 |
0 |
0.625 |
| 2 |
3 |
|
C |
170 |
47 |
10712 |
◊ |
B |
x,x-y,-z+1/6 |
12_555 |
166 |
44 |
11100 |
1621.0 |
-24.0 |
0.065 |
3 |
1 |
0 |
0.525 |
4 |
|
A |
151 |
41 |
10863 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
152 |
41 |
10863 |
1497.0 |
-21.9 |
0.074 |
2 |
0 |
0 |
0.525 |
| Average: |
1559.0 |
-23.0 |
0.069 |
3 |
1 |
0 |
0.525 |
| 3 |
5 |
|
B |
79 |
22 |
11100 |
◊ |
B |
-y+1,-x+1,-z-1/6 |
10_664 |
79 |
22 |
11100 |
783.4 |
-1.6 |
0.724 |
7 |
2 |
0 |
0.000 |
| 4 |
6 |
|
A |
43 |
12 |
10863 |
◊ |
C |
x-y+1,x,z+1/6 |
6_655 |
35 |
8 |
10712 |
296.7 |
-2.0 |
0.590 |
1 |
1 |
0 |
0.000 |
| 5 |
7 |
|
C |
28 |
9 |
10712 |
◊ |
A |
y,x-1,-z+1/3 |
7_545 |
30 |
8 |
10863 |
289.6 |
0.2 |
0.729 |
2 |
2 |
0 |
0.000 |
| 6 |
8 |
|
[TBN]B:1246 |
19 |
1 |
414 |
f |
B |
x,y,z |
1_555 |
40 |
16 |
11100 |
254.6 |
1.3 |
0.413 |
4 |
0 |
0 |
0.014 |
9 |
|
[TBN]A:1245 |
19 |
1 |
410 |
f |
A |
x,y,z |
1_555 |
41 |
15 |
10863 |
249.9 |
1.1 |
0.400 |
3 |
0 |
0 |
0.014 |
| Average: |
252.2 |
1.2 |
0.407 |
4 |
0 |
0 |
0.014 |
| 7 |
10 |
|
[TBN]C:1247 |
19 |
1 |
410 |
f |
C |
x,y,z |
1_555 |
39 |
16 |
10712 |
247.7 |
1.1 |
0.414 |
4 |
0 |
0 |
0.024 |
| 8 |
11 |
|
B |
11 |
5 |
11100 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
10863 |
108.1 |
1.4 |
0.842 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
10 |
4 |
10712 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
10863 |
90.0 |
1.0 |
0.821 |
1 |
0 |
0 |
0.000 |
13 |
|
C |
9 |
4 |
10712 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
11100 |
83.2 |
1.1 |
0.803 |
1 |
0 |
0 |
0.000 |
| Average: |
93.8 |
1.2 |
0.822 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[PO4]A:1248 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
10863 |
96.2 |
-5.4 |
0.746 |
6 |
0 |
0 |
0.350 |
| 10 |
15 |
|
[PO4]B:1249 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
11100 |
90.6 |
-5.7 |
0.698 |
5 |
0 |
0 |
0.163 |
| 11 |
16 |
|
[PO4]C:1250 |
5 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
10712 |
78.7 |
-4.7 |
0.837 |
7 |
0 |
0 |
0.267 |
| 12 |
17 |
|
C |
10 |
3 |
10712 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
10 |
4 |
11100 |
74.0 |
-0.4 |
0.512 |
1 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[TBN]B:1246 |
5 |
1 |
414 |
◊ |
C |
x,x-y,-z+1/6 |
12_555 |
7 |
3 |
10712 |
63.6 |
1.4 |
0.585 |
2 |
0 |
0 |
0.000 |
19 |
|
[TBN]A:1245 |
5 |
1 |
410 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
7 |
3 |
10863 |
61.5 |
1.2 |
0.552 |
1 |
0 |
0 |
0.000 |
20 |
|
[TBN]C:1247 |
6 |
1 |
410 |
◊ |
B |
x,x-y,-z+1/6 |
12_555 |
8 |
4 |
11100 |
61.3 |
1.6 |
0.589 |
1 |
0 |
0 |
0.000 |
| Average: |
62.1 |
1.4 |
0.575 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[TBN]B:1246 |
6 |
1 |
414 |
f |
[PO4]B:1249 |
x,y,z |
1_555 |
4 |
1 |
190 |
43.9 |
-2.5 |
0.473 |
0 |
0 |
0 |
0.051 |
| 15 |
22 |
|
[TBN]A:1245 |
6 |
1 |
410 |
f |
[PO4]A:1248 |
x,y,z |
1_555 |
4 |
1 |
190 |
43.3 |
-2.6 |
0.434 |
0 |
0 |
0 |
0.110 |
| 16 |
23 |
|
[TBN]C:1247 |
6 |
1 |
410 |
f |
[PO4]C:1250 |
x,y,z |
1_555 |
4 |
1 |
190 |
41.1 |
-2.4 |
0.430 |
0 |
0 |
0 |
0.084 |
| 17 |
24 |
|
[PO4]B:1249 |
4 |
1 |
190 |
◊ |
C |
x,x-y,-z+1/6 |
12_555 |
3 |
1 |
10712 |
34.9 |
-0.5 |
0.965 |
2 |
0 |
0 |
0.029 |
| 18 |
25 |
|
[PO4]A:1248 |
4 |
1 |
190 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
2 |
1 |
10863 |
34.3 |
-0.3 |
0.970 |
3 |
0 |
0 |
0.072 |
| 19 |
26 |
|
[PO4]C:1250 |
3 |
1 |
190 |
◊ |
B |
x,x-y,-z+1/6 |
12_555 |
2 |
1 |
11100 |
31.4 |
-0.6 |
0.930 |
2 |
0 |
0 |
0.032 |
| 20 |
27 |
|
A |
5 |
2 |
10863 |
◊ |
B |
x-y+1,x,z+1/6 |
6_655 |
3 |
1 |
11100 |
13.7 |
0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
|