| ## |
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 |
|
A |
39 |
10 |
2825 |
◊ |
B |
x-1,y,z |
1_455 |
37 |
11 |
2803 |
336.8 |
-3.7 |
0.494 |
2 |
0 |
0 |
0.000 |
2 |
|
D |
41 |
10 |
2803 |
◊ |
C |
x,y,z |
1_555 |
35 |
11 |
2776 |
321.1 |
-4.2 |
0.436 |
2 |
0 |
0 |
0.000 |
3 |
|
B |
40 |
9 |
2803 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
2825 |
308.9 |
-4.2 |
0.446 |
7 |
0 |
0 |
0.000 |
4 |
|
D |
32 |
11 |
2803 |
◊ |
C |
x-1,y,z |
1_455 |
37 |
8 |
2776 |
295.7 |
-4.7 |
0.356 |
2 |
0 |
0 |
0.000 |
| Average: |
315.6 |
-4.2 |
0.433 |
3 |
0 |
0 |
0.000 |
| 2 |
5 |
|
B |
32 |
7 |
2803 |
◊ |
D |
x,y,z-1 |
1_554 |
32 |
7 |
2803 |
280.3 |
0.4 |
0.788 |
7 |
7 |
0 |
0.072 |
6 |
|
A |
33 |
6 |
2825 |
◊ |
C |
x-1,y-1,z |
1_445 |
34 |
7 |
2776 |
278.8 |
-0.4 |
0.755 |
7 |
6 |
0 |
0.072 |
| Average: |
279.5 |
-0.0 |
0.771 |
7 |
7 |
0 |
0.072 |
| 3 |
7 |
|
A |
17 |
4 |
2825 |
◊ |
D |
x,y-1,z |
1_545 |
9 |
2 |
2803 |
129.9 |
-3.6 |
0.090 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
8 |
2 |
2825 |
◊ |
D |
x,y,z-1 |
1_554 |
16 |
4 |
2803 |
127.7 |
-3.7 |
0.068 |
0 |
0 |
0 |
0.000 |
9 |
|
B |
8 |
2 |
2803 |
◊ |
C |
x,y-1,z |
1_545 |
16 |
4 |
2776 |
124.8 |
-3.6 |
0.080 |
0 |
0 |
0 |
0.000 |
10 |
|
B |
15 |
4 |
2803 |
◊ |
C |
x,y,z-1 |
1_554 |
10 |
2 |
2776 |
120.3 |
-3.3 |
0.134 |
0 |
0 |
0 |
0.000 |
| Average: |
125.7 |
-3.5 |
0.093 |
0 |
0 |
0 |
0.000 |
| 4 |
11 |
|
A |
11 |
5 |
2825 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
11 |
2 |
2803 |
125.6 |
0.4 |
0.711 |
1 |
0 |
0 |
0.000 |
| 5 |
12 |
|
B |
14 |
5 |
2803 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
3 |
2776 |
108.4 |
-0.5 |
0.589 |
0 |
0 |
0 |
0.003 |
| 6 |
13 |
|
[SO4]D:404 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
2803 |
97.9 |
-13.6 |
0.783 |
4 |
0 |
0 |
0.258 |
| 7 |
14 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
2825 |
97.2 |
-13.6 |
0.798 |
4 |
0 |
0 |
0.252 |
| 8 |
15 |
|
[SO4]C:401 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
2776 |
93.3 |
-13.1 |
0.808 |
5 |
0 |
0 |
0.251 |
| 9 |
16 |
|
[SO4]B:405 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
2803 |
90.3 |
-12.5 |
0.806 |
5 |
0 |
0 |
0.247 |
| 10 |
17 |
|
A |
12 |
4 |
2825 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
3 |
2803 |
88.3 |
0.8 |
0.778 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
A |
10 |
3 |
2825 |
◊ |
B |
x-1,y-1,z |
1_445 |
9 |
3 |
2803 |
84.8 |
-0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[ACT]C:410 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
2776 |
79.9 |
-0.9 |
0.636 |
2 |
0 |
0 |
0.029 |
| 13 |
20 |
|
B |
14 |
6 |
2803 |
◊ |
D |
x,y-1,z |
1_545 |
9 |
5 |
2803 |
78.0 |
-1.2 |
0.518 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
7 |
4 |
2825 |
◊ |
C |
x-1,y,z-1 |
1_454 |
7 |
4 |
2776 |
16.8 |
-0.2 |
0.645 |
0 |
0 |
0 |
0.000 |
| Average: |
47.4 |
-0.7 |
0.581 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[SO4]B:406 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
2803 |
76.8 |
-10.7 |
0.826 |
5 |
0 |
0 |
0.218 |
| 15 |
23 |
|
A |
7 |
3 |
2825 |
f |
[SO4]D:403 |
x,y-1,z-1 |
1_544 |
5 |
1 |
186 |
69.1 |
-9.4 |
0.816 |
4 |
0 |
0 |
0.183 |
| 16 |
24 |
|
[SO4]D:403 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
2803 |
49.5 |
-5.8 |
0.793 |
1 |
0 |
0 |
0.044 |
| 17 |
25 |
|
[SO4]A:402 |
4 |
1 |
185 |
◊ |
C |
x-1,y-1,z |
1_445 |
10 |
3 |
2776 |
44.2 |
-5.3 |
0.768 |
0 |
0 |
0 |
0.087 |
| 18 |
26 |
|
[SO4]B:406 |
4 |
1 |
185 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
2 |
2776 |
43.9 |
-5.8 |
0.639 |
0 |
0 |
0 |
0.041 |
| 19 |
27 |
|
[SO4]B:405 |
4 |
1 |
185 |
◊ |
D |
x,y,z-1 |
1_554 |
9 |
3 |
2803 |
43.5 |
-5.1 |
0.720 |
0 |
0 |
0 |
0.085 |
| 20 |
28 |
|
A |
9 |
3 |
2825 |
◊ |
[SO4]C:401 |
x-1,y-1,z |
1_445 |
4 |
1 |
185 |
42.0 |
-5.1 |
0.747 |
0 |
0 |
0 |
0.083 |
| 21 |
29 |
|
B |
12 |
4 |
2803 |
◊ |
[SO4]D:404 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
41.7 |
-5.1 |
0.788 |
0 |
0 |
0 |
0.085 |
| 22 |
30 |
|
B |
5 |
1 |
2803 |
◊ |
[SO4]D:403 |
x,y,z-1 |
1_554 |
4 |
1 |
186 |
40.2 |
-4.8 |
0.917 |
2 |
0 |
0 |
0.040 |
| 23 |
31 |
|
A |
4 |
3 |
2825 |
◊ |
D |
x,y-1,z-1 |
1_544 |
2 |
2 |
2803 |
33.9 |
0.3 |
0.712 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
A |
1 |
1 |
2825 |
◊ |
[SO4]B:405 |
x,y-1,z |
1_545 |
2 |
1 |
185 |
13.0 |
-1.1 |
0.900 |
0 |
0 |
0 |
0.008 |
| 25 |
33 |
|
A |
3 |
1 |
2825 |
◊ |
[SO4]B:406 |
x,y-1,z |
1_545 |
3 |
1 |
185 |
11.1 |
-1.0 |
0.790 |
0 |
0 |
0 |
0.007 |
| 26 |
34 |
|
[SO4]B:405 |
1 |
1 |
185 |
◊ |
[SO4]D:404 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
10.9 |
-2.6 |
0.800 |
0 |
0 |
0 |
0.044 |
| 27 |
35 |
|
[SO4]A:402 |
1 |
1 |
185 |
◊ |
[SO4]C:401 |
x-1,y-1,z |
1_445 |
1 |
1 |
185 |
10.5 |
-2.5 |
0.800 |
0 |
0 |
0 |
0.041 |
| 28 |
36 |
|
B |
2 |
2 |
2803 |
◊ |
[SO4]C:401 |
x-1,y,z |
1_455 |
2 |
1 |
185 |
9.3 |
-1.1 |
0.737 |
0 |
0 |
0 |
0.008 |
| 29 |
37 |
|
[SO4]D:404 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2776 |
8.8 |
-1.1 |
0.608 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[SO4]B:405 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
2825 |
8.4 |
-1.0 |
0.481 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
D |
1 |
1 |
2803 |
◊ |
[SO4]C:401 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
8.1 |
-1.0 |
0.496 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
A |
1 |
1 |
2825 |
x |
A |
x-1,y,z |
1_455 |
3 |
1 |
2825 |
7.6 |
0.3 |
0.776 |
0 |
0 |
0 |
0.000 |
41 |
|
C |
3 |
2 |
2776 |
x |
C |
x-1,y,z |
1_455 |
3 |
2 |
2776 |
2.6 |
-0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
| Average: |
5.1 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
| 33 |
42 |
|
[SO4]A:402 |
1 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
2803 |
7.5 |
-1.0 |
0.621 |
0 |
0 |
0 |
0.000 |
| 34 |
43 |
|
C |
3 |
1 |
2776 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2803 |
4.9 |
-0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
| 35 |
44 |
|
[SO4]D:403 |
1 |
1 |
186 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
2803 |
4.7 |
-0.4 |
0.787 |
0 |
0 |
0 |
0.000 |
| 36 |
45 |
|
[SO4]B:405 |
1 |
1 |
185 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
2776 |
4.7 |
-0.3 |
0.839 |
0 |
0 |
0 |
0.002 |
| 37 |
46 |
|
A |
1 |
1 |
2825 |
◊ |
[SO4]D:404 |
x-1,y-1,z-1 |
1_444 |
1 |
1 |
185 |
2.3 |
-0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
|