| ## |
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 |
403 |
108 |
22551 |
◊ |
B |
-x-1,-y,z |
2_455 |
401 |
108 |
22551 |
3681.5 |
-29.8 |
0.454 |
58 |
20 |
0 |
0.634 |
2 |
|
A |
397 |
107 |
22925 |
◊ |
A |
-x-1,-y,z |
2_455 |
395 |
107 |
22925 |
3654.2 |
-30.5 |
0.308 |
58 |
20 |
0 |
0.634 |
| Average: |
3667.8 |
-30.2 |
0.381 |
58 |
20 |
0 |
0.634 |
| 2 |
3 |
|
B |
370 |
98 |
22551 |
◊ |
A |
x,y,z |
1_555 |
365 |
98 |
22925 |
3415.5 |
-36.2 |
0.137 |
40 |
18 |
0 |
0.646 |
| 3 |
4 |
|
B |
151 |
43 |
22551 |
◊ |
A |
-x-1,-y,z |
2_455 |
158 |
45 |
22925 |
1338.5 |
-9.1 |
0.505 |
23 |
4 |
0 |
0.433 |
| 4 |
5 |
|
B |
53 |
21 |
22551 |
◊ |
A |
x,y,z-1 |
1_554 |
54 |
22 |
22925 |
472.2 |
-1.5 |
0.678 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[AMP]A:501 |
23 |
1 |
500 |
◊ |
A |
x,y,z |
1_555 |
40 |
15 |
22925 |
249.2 |
0.3 |
0.706 |
5 |
0 |
0 |
0.046 |
7 |
|
[AMP]B:501 |
23 |
1 |
497 |
◊ |
B |
x,y,z |
1_555 |
42 |
15 |
22551 |
247.4 |
0.2 |
0.718 |
5 |
0 |
0 |
0.046 |
| Average: |
248.3 |
0.2 |
0.712 |
5 |
0 |
0 |
0.046 |
| 6 |
8 |
|
A |
28 |
10 |
22925 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
20 |
4 |
22551 |
232.3 |
-3.5 |
0.246 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
22 |
5 |
22551 |
◊ |
A |
-x-1,-y,z-1 |
2_454 |
21 |
5 |
22925 |
219.3 |
-0.0 |
0.690 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
B |
17 |
5 |
22551 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
28 |
9 |
22551 |
210.0 |
-0.5 |
0.616 |
4 |
2 |
0 |
0.000 |
| 9 |
11 |
|
A |
28 |
9 |
22925 |
x |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
17 |
5 |
22925 |
206.2 |
-1.2 |
0.521 |
3 |
2 |
0 |
0.000 |
| 10 |
12 |
|
A |
20 |
4 |
22925 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
22 |
7 |
22551 |
168.2 |
-2.6 |
0.333 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[AMP]B:501 |
16 |
1 |
497 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
22925 |
168.1 |
-1.9 |
0.516 |
5 |
0 |
0 |
0.183 |
14 |
|
[AMP]A:501 |
16 |
1 |
500 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
22551 |
166.8 |
-2.1 |
0.513 |
5 |
0 |
0 |
0.183 |
| Average: |
167.4 |
-2.0 |
0.514 |
5 |
0 |
0 |
0.183 |
| 12 |
15 |
|
B |
9 |
3 |
22551 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
3_446 |
12 |
5 |
22925 |
83.6 |
-0.4 |
0.587 |
1 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[EDO]A:503 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
22925 |
63.1 |
1.5 |
0.420 |
3 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[EDO]B:502 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22551 |
61.7 |
1.4 |
0.240 |
3 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[NA]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
22551 |
50.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.151 |
| 16 |
19 |
|
[EDO]B:502 |
4 |
1 |
185 |
◊ |
A |
-x-1,-y,z |
2_455 |
8 |
4 |
22925 |
42.8 |
0.5 |
0.577 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]A:503 |
4 |
1 |
185 |
f |
B |
-x-1,-y,z |
2_455 |
8 |
4 |
22551 |
40.6 |
0.3 |
0.565 |
1 |
0 |
0 |
0.004 |
| 18 |
21 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
-x-1,-y,z |
2_455 |
8 |
3 |
22925 |
38.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.210 |
22 |
|
[MG]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
22551 |
37.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.210 |
| Average: |
37.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.210 |
| 19 |
23 |
|
[MG]B:503 |
1 |
1 |
98 |
◊ |
B |
-x-1,-y,z |
2_455 |
7 |
3 |
22551 |
37.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.095 |
24 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
22925 |
36.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
36.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.095 |
| 20 |
25 |
|
[AMP]A:501 |
5 |
1 |
500 |
◊ |
A |
-x-1,-y,z |
2_455 |
4 |
2 |
22925 |
35.5 |
0.1 |
0.311 |
0 |
0 |
0 |
0.000 |
26 |
|
[AMP]B:501 |
5 |
1 |
497 |
◊ |
B |
-x-1,-y,z |
2_455 |
5 |
2 |
22551 |
35.4 |
0.1 |
0.356 |
0 |
0 |
0 |
0.000 |
| Average: |
35.5 |
0.1 |
0.333 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[EDO]B:502 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
22925 |
34.7 |
1.1 |
0.875 |
1 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[EDO]A:503 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
22551 |
34.7 |
1.0 |
0.873 |
1 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
22925 |
33.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.078 |
| 24 |
30 |
|
[NA]B:504 |
1 |
1 |
125 |
◊ |
B |
-x-1,-y,z |
2_455 |
5 |
3 |
22551 |
28.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.054 |
| 25 |
31 |
|
[EDO]B:502 |
2 |
1 |
185 |
f |
[AMP]A:501 |
x,y,z |
1_555 |
2 |
1 |
500 |
24.9 |
1.1 |
0.825 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[EDO]A:503 |
2 |
1 |
185 |
◊ |
[AMP]B:501 |
x,y,z |
1_555 |
4 |
1 |
497 |
23.9 |
1.1 |
0.801 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[NA]B:504 |
1 |
1 |
125 |
◊ |
[NA]B:504 |
-x-1,-y,z |
2_455 |
1 |
1 |
125 |
23.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.044 |
| 28 |
34 |
|
A |
5 |
2 |
22925 |
◊ |
B |
-x-3/2,y-1/2,-z+1 |
3_346 |
6 |
3 |
22551 |
22.5 |
-0.3 |
0.551 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
A |
1 |
1 |
22925 |
x |
A |
-x-1/2,y-1/2,-z+1 |
3_446 |
3 |
1 |
22925 |
13.4 |
-0.2 |
0.336 |
0 |
0 |
0 |
0.000 |
| 30 |
36 |
|
B |
2 |
2 |
22551 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
2 |
2 |
22925 |
4.1 |
0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[MG]A:504 |
1 |
1 |
98 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
22551 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|