| ## |
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 |
83 |
20 |
6487 |
◊ |
A |
x,y-1,z-1 |
1_544 |
77 |
22 |
6501 |
676.8 |
0.5 |
0.456 |
7 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
69 |
19 |
6501 |
◊ |
B |
x-1,y,z |
1_455 |
67 |
19 |
6487 |
612.8 |
-2.5 |
0.290 |
4 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
63 |
21 |
6501 |
◊ |
B |
x-1,y+1,z |
1_465 |
56 |
16 |
6487 |
528.0 |
1.5 |
0.563 |
7 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
59 |
20 |
6487 |
◊ |
A |
x,y,z-1 |
1_554 |
58 |
15 |
6501 |
495.9 |
0.8 |
0.509 |
6 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
61 |
17 |
6487 |
x |
B |
x-1,y,z |
1_455 |
45 |
13 |
6487 |
480.2 |
3.2 |
0.703 |
5 |
0 |
0 |
0.000 |
6 |
|
A |
59 |
15 |
6501 |
x |
A |
x-1,y,z |
1_455 |
46 |
13 |
6501 |
405.8 |
2.1 |
0.617 |
8 |
0 |
0 |
0.000 |
| Average: |
443.0 |
2.7 |
0.660 |
7 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
33 |
13 |
6487 |
◊ |
A |
x,y-1,z |
1_545 |
32 |
9 |
6501 |
318.4 |
-2.1 |
0.273 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
31 |
12 |
6501 |
◊ |
B |
x-1,y,z+1 |
1_456 |
33 |
9 |
6487 |
256.7 |
-2.3 |
0.246 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
27 |
6 |
6501 |
x |
A |
x,y,z-1 |
1_554 |
28 |
7 |
6501 |
226.1 |
2.6 |
0.782 |
4 |
3 |
0 |
0.000 |
10 |
|
B |
21 |
5 |
6487 |
x |
B |
x,y,z-1 |
1_554 |
27 |
9 |
6487 |
200.3 |
-0.2 |
0.472 |
1 |
0 |
0 |
0.000 |
| Average: |
213.2 |
1.2 |
0.627 |
3 |
2 |
0 |
0.000 |
| 9 |
11 |
|
A |
25 |
8 |
6501 |
◊ |
B |
x-1,y+1,z+1 |
1_466 |
27 |
11 |
6487 |
200.9 |
1.2 |
0.623 |
2 |
0 |
0 |
0.000 |
| 10 |
12 |
|
B |
17 |
7 |
6487 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
6501 |
143.4 |
0.5 |
0.543 |
3 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[NO3]A:401 |
4 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
6501 |
74.2 |
1.4 |
0.709 |
4 |
0 |
0 |
0.003 |
| 12 |
14 |
|
[NO3]B:402 |
4 |
1 |
160 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
6487 |
71.2 |
1.1 |
0.554 |
3 |
0 |
0 |
0.002 |
| 13 |
15 |
|
[NO3]A:403 |
4 |
1 |
160 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6501 |
57.6 |
0.9 |
0.454 |
2 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[NA]B:408 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
6487 |
53.7 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.085 |
17 |
|
[NA]A:406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
6501 |
50.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
52.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.085 |
| 15 |
18 |
|
[NO3]A:405 |
4 |
1 |
160 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
6501 |
51.1 |
0.9 |
0.478 |
3 |
0 |
0 |
0.004 |
| 16 |
19 |
|
A |
7 |
2 |
6501 |
◊ |
[NO3]A:404 |
x,y,z-1 |
1_554 |
4 |
1 |
159 |
49.7 |
0.9 |
0.484 |
3 |
0 |
0 |
0.000 |
| 17 |
20 |
|
B |
8 |
2 |
6487 |
◊ |
[NO3]B:402 |
x,y,z-1 |
1_554 |
4 |
1 |
160 |
49.2 |
0.0 |
0.291 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[NO3]A:404 |
3 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6501 |
47.3 |
0.5 |
0.258 |
2 |
0 |
0 |
0.003 |
| 19 |
22 |
|
[NO3]A:403 |
4 |
1 |
160 |
◊ |
B |
x-1,y,z+1 |
1_456 |
8 |
3 |
6487 |
45.0 |
0.8 |
0.450 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[NO3]A:405 |
3 |
1 |
160 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6487 |
34.2 |
1.3 |
0.964 |
2 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[NA]A:406 |
1 |
1 |
125 |
f |
[NO3]A:401 |
x,y,z |
1_555 |
3 |
1 |
159 |
31.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.022 |
| 22 |
25 |
|
[NO3]A:405 |
3 |
1 |
160 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
2 |
6501 |
31.2 |
0.4 |
0.815 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
A |
4 |
1 |
6501 |
x |
A |
x-1,y,z-1 |
1_454 |
4 |
1 |
6501 |
31.0 |
0.6 |
0.467 |
1 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[NO3]A:405 |
3 |
1 |
160 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
6487 |
27.8 |
1.1 |
0.960 |
1 |
0 |
0 |
0.000 |
| 25 |
28 |
|
A |
7 |
2 |
6501 |
◊ |
[NO3]A:403 |
x,y,z-1 |
1_554 |
4 |
1 |
160 |
26.4 |
0.2 |
0.681 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[NO3]A:404 |
3 |
1 |
159 |
◊ |
B |
x-1,y+1,z+1 |
1_466 |
6 |
3 |
6487 |
26.0 |
-0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[NO3]A:404 |
4 |
1 |
159 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
6501 |
22.8 |
-0.2 |
0.161 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
B |
2 |
1 |
6487 |
x |
B |
x,y-1,z |
1_545 |
3 |
1 |
6487 |
19.7 |
0.7 |
0.809 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[NA]B:408 |
1 |
1 |
125 |
f |
[NO3]B:402 |
x,y,z |
1_555 |
3 |
1 |
160 |
15.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| 30 |
33 |
|
B |
3 |
1 |
6487 |
◊ |
[NA]B:408 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
9.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[NO3]A:405 |
1 |
1 |
160 |
◊ |
[NO3]A:401 |
x,y,z-1 |
1_554 |
1 |
1 |
159 |
1.5 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
A |
1 |
1 |
6501 |
◊ |
[NO3]A:401 |
x,y,z-1 |
1_554 |
2 |
1 |
159 |
0.8 |
-0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
|