| ## |
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 |
284 |
76 |
15864 |
◊ |
A |
x,y,z |
1_555 |
275 |
76 |
15462 |
2598.9 |
-42.2 |
0.006 |
27 |
2 |
0 |
0.559 |
| 2 |
2 |
|
A |
76 |
25 |
15462 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
75 |
25 |
15462 |
702.5 |
-6.8 |
0.412 |
6 |
8 |
0 |
0.097 |
3 |
|
B |
76 |
25 |
15864 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
75 |
25 |
15864 |
698.7 |
-6.8 |
0.417 |
6 |
8 |
0 |
0.097 |
| Average: |
700.6 |
-6.8 |
0.415 |
6 |
8 |
0 |
0.097 |
| 3 |
4 |
|
B |
81 |
27 |
15864 |
◊ |
A |
x,y,z-1 |
1_554 |
79 |
26 |
15462 |
667.3 |
1.5 |
0.926 |
12 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
54 |
17 |
15864 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
3_456 |
54 |
14 |
15462 |
466.5 |
-1.1 |
0.751 |
6 |
9 |
0 |
0.010 |
| 5 |
6 |
|
[P00]A:509 |
24 |
1 |
543 |
f |
A |
x,y,z |
1_555 |
46 |
17 |
15462 |
332.2 |
-2.9 |
0.592 |
5 |
0 |
0 |
0.107 |
7 |
|
[P00]B:512 |
23 |
1 |
536 |
f |
B |
x,y,z |
1_555 |
48 |
16 |
15864 |
327.6 |
-2.7 |
0.609 |
6 |
0 |
0 |
0.107 |
| Average: |
329.9 |
-2.8 |
0.600 |
6 |
0 |
0 |
0.107 |
| 6 |
8 |
|
A |
30 |
8 |
15462 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
3_456 |
23 |
8 |
15864 |
250.3 |
2.0 |
0.919 |
5 |
5 |
0 |
0.000 |
| 7 |
9 |
|
[TNF]B:508 |
15 |
1 |
356 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
3_456 |
21 |
7 |
15462 |
146.3 |
-5.4 |
0.688 |
2 |
0 |
0 |
0.012 |
| 8 |
10 |
|
[TNF]B:508 |
14 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
15864 |
129.3 |
-5.4 |
0.570 |
3 |
0 |
0 |
0.069 |
| 9 |
11 |
|
[ACT]B:505 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
15864 |
105.3 |
-0.1 |
0.766 |
0 |
0 |
0 |
0.001 |
| 10 |
12 |
|
[EDO]B:510 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
15864 |
99.9 |
3.0 |
0.453 |
3 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]A:508 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
15462 |
99.8 |
3.2 |
0.475 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[ACT]B:504 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
12 |
8 |
15864 |
95.0 |
-1.2 |
0.471 |
0 |
0 |
0 |
0.012 |
| 13 |
15 |
|
[ACT]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
15462 |
91.5 |
-0.9 |
0.612 |
2 |
0 |
0 |
0.018 |
| 14 |
16 |
|
B |
7 |
5 |
15864 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
7 |
5 |
15462 |
88.0 |
-4.0 |
0.013 |
0 |
0 |
0 |
0.036 |
| 15 |
17 |
|
[EDO]A:501 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
15462 |
84.7 |
2.6 |
0.488 |
4 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[EDO]B:501 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
11 |
15864 |
84.5 |
2.6 |
0.493 |
4 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]B:506 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
15864 |
78.7 |
2.5 |
0.272 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[ACT]B:502 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
15864 |
78.0 |
0.1 |
0.721 |
2 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[ACT]A:510 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
15462 |
76.6 |
-1.2 |
0.512 |
0 |
0 |
0 |
0.012 |
| 20 |
22 |
|
[EDO]A:503 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
15864 |
76.4 |
1.1 |
0.289 |
2 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[ACT]A:505 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
15462 |
76.1 |
-0.0 |
0.689 |
2 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[ACT]B:509 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
15864 |
75.6 |
0.5 |
0.801 |
2 |
0 |
0 |
0.003 |
| 23 |
25 |
|
[EDO]A:502 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
15462 |
75.3 |
1.1 |
0.292 |
2 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[ACT]B:507 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
15864 |
75.0 |
-1.1 |
0.565 |
0 |
0 |
0 |
0.011 |
| 25 |
27 |
|
[ACT]A:511 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
15462 |
74.6 |
0.5 |
0.800 |
2 |
0 |
0 |
0.003 |
| 26 |
28 |
|
[ACT]B:503 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
15462 |
74.5 |
-0.9 |
0.523 |
0 |
0 |
0 |
0.020 |
29 |
|
[ACT]A:504 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
9 |
15864 |
70.9 |
-1.0 |
0.476 |
0 |
0 |
0 |
0.020 |
| Average: |
72.7 |
-1.0 |
0.500 |
0 |
0 |
0 |
0.020 |
| 27 |
30 |
|
[ACT]A:511 |
4 |
1 |
182 |
f |
A |
-x+1,-y+1,z |
2_665 |
7 |
3 |
15462 |
74.0 |
-1.0 |
0.583 |
0 |
0 |
0 |
0.010 |
| 28 |
31 |
|
[ACT]B:509 |
4 |
1 |
183 |
f |
B |
-x+1,-y+1,z |
2_665 |
8 |
4 |
15864 |
72.7 |
-1.1 |
0.560 |
0 |
0 |
0 |
0.011 |
| 29 |
32 |
|
[EDO]A:507 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
15462 |
71.9 |
2.3 |
0.286 |
1 |
0 |
0 |
0.000 |
| 30 |
33 |
|
A |
10 |
4 |
15462 |
x |
A |
x-1/2,-y+1/2,-z+1 |
3_456 |
7 |
3 |
15462 |
67.6 |
1.4 |
0.876 |
1 |
0 |
0 |
0.000 |
| 31 |
34 |
|
B |
8 |
5 |
15864 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
10 |
3 |
15462 |
66.2 |
0.3 |
0.642 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[EDO]A:502 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
15864 |
64.9 |
1.4 |
0.430 |
1 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[ACT]B:507 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
15462 |
64.7 |
-0.9 |
0.537 |
0 |
0 |
0 |
0.009 |
| 34 |
37 |
|
[ACT]A:510 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
15864 |
63.8 |
-0.8 |
0.549 |
0 |
0 |
0 |
0.009 |
| 35 |
38 |
|
[EDO]A:503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
15462 |
63.0 |
1.4 |
0.259 |
1 |
0 |
0 |
0.000 |
| 36 |
39 |
|
[NA]B:511 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
15864 |
61.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.197 |
40 |
|
[NA]A:512 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
15462 |
61.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.197 |
| Average: |
61.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.197 |
| 37 |
41 |
|
[ACT]B:503 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
15864 |
58.9 |
-0.9 |
0.505 |
1 |
0 |
0 |
0.026 |
42 |
|
[ACT]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
15462 |
49.9 |
-0.8 |
0.500 |
1 |
0 |
0 |
0.026 |
| Average: |
54.4 |
-0.8 |
0.503 |
1 |
0 |
0 |
0.026 |
| 38 |
43 |
|
A |
3 |
2 |
15462 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
3 |
2 |
15462 |
53.6 |
-0.5 |
0.384 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
B |
4 |
2 |
15864 |
f |
[ACT]A:505 |
x,y,z-1 |
1_554 |
4 |
1 |
182 |
53.2 |
-1.2 |
0.372 |
0 |
0 |
0 |
0.012 |
| 40 |
45 |
|
[ACT]B:502 |
4 |
1 |
182 |
f |
A |
x,y,z-1 |
1_554 |
4 |
2 |
15462 |
52.9 |
-1.2 |
0.372 |
0 |
0 |
0 |
0.012 |
| 41 |
46 |
|
[EDO]B:501 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
2 |
15462 |
50.9 |
1.0 |
0.231 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[EDO]A:501 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
15864 |
50.6 |
1.0 |
0.241 |
0 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[ACT]B:504 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
15462 |
39.8 |
-1.2 |
0.305 |
0 |
0 |
0 |
0.013 |
| 44 |
49 |
|
[P00]B:512 |
5 |
1 |
536 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
15462 |
39.4 |
-0.2 |
0.639 |
0 |
0 |
0 |
0.006 |
50 |
|
[P00]A:509 |
4 |
1 |
543 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
15864 |
22.0 |
-0.4 |
0.631 |
0 |
0 |
0 |
0.006 |
| Average: |
30.7 |
-0.3 |
0.635 |
0 |
0 |
0 |
0.006 |
| 45 |
51 |
|
[ACT]A:506 |
4 |
1 |
184 |
◊ |
[EDO]A:507 |
x,y,z |
1_555 |
3 |
1 |
184 |
38.6 |
1.1 |
0.848 |
0 |
0 |
0 |
0.000 |
| 46 |
52 |
|
[EDO]B:510 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
15462 |
25.9 |
0.5 |
0.356 |
0 |
0 |
0 |
0.000 |
| 47 |
53 |
|
[ACT]B:503 |
3 |
1 |
182 |
f |
[EDO]A:502 |
x,y,z |
1_555 |
3 |
1 |
185 |
23.3 |
0.6 |
0.935 |
1 |
0 |
0 |
0.000 |
| 48 |
54 |
|
[ACT]A:504 |
3 |
1 |
183 |
f |
[EDO]A:503 |
x,y,z |
1_555 |
3 |
1 |
185 |
21.9 |
0.6 |
0.935 |
1 |
0 |
0 |
0.000 |
| 49 |
55 |
|
[ACT]A:504 |
1 |
1 |
183 |
f |
[EDO]B:510 |
x,y,z |
1_555 |
2 |
1 |
184 |
19.5 |
0.5 |
0.707 |
0 |
0 |
0 |
0.000 |
| 50 |
56 |
|
[EDO]A:508 |
2 |
1 |
184 |
f |
A |
-x+1,-y+1,z |
2_665 |
2 |
1 |
15462 |
16.3 |
0.6 |
0.904 |
0 |
0 |
0 |
0.000 |
| 51 |
57 |
|
[ACT]A:506 |
1 |
1 |
184 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
3_456 |
4 |
1 |
15864 |
15.5 |
0.2 |
0.812 |
0 |
0 |
0 |
0.000 |
| 52 |
58 |
|
A |
3 |
1 |
15462 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
2 |
2 |
15864 |
12.7 |
0.3 |
0.793 |
0 |
0 |
0 |
0.000 |
| 53 |
59 |
|
[EDO]A:507 |
2 |
1 |
184 |
f |
B |
x-1/2,-y+1/2,-z+1 |
3_456 |
3 |
1 |
15864 |
11.9 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
| 54 |
60 |
|
[P00]A:509 |
1 |
1 |
543 |
◊ |
[ACT]B:507 |
x,y,z |
1_555 |
1 |
1 |
182 |
7.5 |
-0.3 |
0.382 |
0 |
0 |
0 |
0.004 |
| 55 |
61 |
|
[ACT]B:504 |
1 |
1 |
182 |
f |
[ACT]A:504 |
x,y,z |
1_555 |
1 |
1 |
183 |
6.7 |
-0.2 |
0.500 |
0 |
0 |
0 |
0.002 |
| 56 |
62 |
|
[ACT]B:502 |
3 |
1 |
182 |
◊ |
[ACT]A:505 |
x,y,z-1 |
1_554 |
3 |
1 |
182 |
6.6 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
| 57 |
63 |
|
[P00]B:512 |
1 |
1 |
536 |
◊ |
[ACT]A:510 |
x,y,z |
1_555 |
1 |
1 |
182 |
6.6 |
-0.3 |
0.354 |
0 |
0 |
0 |
0.003 |
|