| ## |
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 |
190 |
49 |
13202 |
◊ |
A |
x,y,z |
1_555 |
191 |
50 |
13154 |
1899.0 |
-21.7 |
0.053 |
19 |
9 |
0 |
0.156 |
| 2 |
2 |
|
A |
38 |
11 |
13154 |
◊ |
B |
x-1,y+1,z+1 |
1_466 |
37 |
12 |
13202 |
314.0 |
2.7 |
0.838 |
3 |
5 |
0 |
0.000 |
| 3 |
3 |
|
B |
36 |
13 |
13202 |
◊ |
A |
x,y,z-1 |
1_554 |
37 |
14 |
13154 |
305.8 |
0.8 |
0.674 |
2 |
2 |
0 |
0.000 |
4 |
|
B |
32 |
14 |
13202 |
◊ |
A |
x,y-1,z |
1_545 |
35 |
12 |
13154 |
298.6 |
-1.1 |
0.503 |
0 |
4 |
0 |
0.000 |
| Average: |
302.2 |
-0.1 |
0.589 |
1 |
3 |
0 |
0.000 |
| 4 |
5 |
|
[P6T]A:404 |
20 |
1 |
472 |
f |
A |
x,y,z |
1_555 |
45 |
20 |
13154 |
301.6 |
-0.4 |
0.665 |
9 |
0 |
0 |
0.051 |
6 |
|
[P6T]B:404 |
20 |
1 |
471 |
f |
B |
x,y,z |
1_555 |
46 |
20 |
13202 |
301.0 |
-2.4 |
0.622 |
8 |
0 |
0 |
0.051 |
| Average: |
301.3 |
-1.4 |
0.644 |
9 |
0 |
0 |
0.051 |
| 5 |
7 |
|
A |
27 |
10 |
13154 |
x |
A |
x-1,y,z |
1_455 |
32 |
10 |
13154 |
270.3 |
3.1 |
0.864 |
2 |
3 |
0 |
0.000 |
8 |
|
B |
33 |
11 |
13202 |
x |
B |
x-1,y,z |
1_455 |
27 |
10 |
13202 |
259.3 |
2.7 |
0.851 |
2 |
4 |
0 |
0.000 |
| Average: |
264.8 |
2.9 |
0.857 |
2 |
4 |
0 |
0.000 |
| 6 |
9 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
13202 |
49.5 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.320 |
10 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13154 |
49.1 |
-32.1 |
0.000 |
0 |
0 |
0 |
0.320 |
| Average: |
49.3 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.320 |
| 7 |
11 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13202 |
45.0 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.220 |
12 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13154 |
43.1 |
-22.2 |
0.000 |
0 |
0 |
0 |
0.220 |
| Average: |
44.0 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.220 |
| 8 |
13 |
|
[P6T]B:404 |
3 |
1 |
471 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13154 |
41.4 |
-1.2 |
0.386 |
2 |
0 |
0 |
0.012 |
14 |
|
[P6T]A:404 |
3 |
1 |
472 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13202 |
41.1 |
0.5 |
0.666 |
2 |
0 |
0 |
0.012 |
| Average: |
41.2 |
-0.4 |
0.526 |
2 |
0 |
0 |
0.012 |
| 9 |
15 |
|
[P6T]B:404 |
4 |
1 |
471 |
f |
[ZN]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.122 |
16 |
|
[P6T]A:404 |
4 |
1 |
472 |
f |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.122 |
| Average: |
29.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.122 |
| 10 |
17 |
|
A |
3 |
2 |
13154 |
◊ |
B |
x-1,y+1,z |
1_465 |
5 |
2 |
13202 |
29.0 |
-0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
3 |
2 |
13154 |
◊ |
B |
x-1,y,z+1 |
1_456 |
3 |
2 |
13202 |
22.8 |
1.2 |
0.880 |
0 |
0 |
0 |
0.000 |
| Average: |
25.9 |
0.6 |
0.729 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.052 |
| 12 |
20 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.052 |
| 13 |
21 |
|
[P6T]A:404 |
1 |
1 |
472 |
f |
[NA]A:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
22 |
|
[P6T]B:404 |
1 |
1 |
471 |
f |
[NA]B:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
12.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 14 |
23 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
[NA]A:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 15 |
24 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
[NA]B:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
|