| ## |
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 |
98 |
28 |
13132 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
103 |
26 |
13132 |
905.0 |
-2.7 |
0.387 |
8 |
6 |
0 |
0.000 |
2 |
|
B |
94 |
25 |
12974 |
x |
B |
-x,y-1/2,-z-2 |
2_543 |
90 |
26 |
12974 |
817.9 |
-3.7 |
0.331 |
9 |
9 |
0 |
0.000 |
| Average: |
861.5 |
-3.2 |
0.359 |
9 |
8 |
0 |
0.000 |
| 2 |
3 |
|
B |
74 |
21 |
12974 |
◊ |
A |
x,y,z |
1_555 |
72 |
22 |
13132 |
740.3 |
-5.7 |
0.210 |
5 |
6 |
0 |
0.000 |
| 3 |
4 |
|
A |
75 |
21 |
13132 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
62 |
21 |
13132 |
618.4 |
0.2 |
0.564 |
6 |
3 |
0 |
0.000 |
| 4 |
5 |
|
A |
53 |
14 |
13132 |
x |
A |
x-1,y,z |
1_455 |
46 |
14 |
13132 |
420.5 |
-0.1 |
0.481 |
3 |
3 |
0 |
0.000 |
| 5 |
6 |
|
A |
39 |
11 |
13132 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
37 |
10 |
12974 |
340.5 |
0.2 |
0.561 |
5 |
2 |
0 |
0.000 |
| 6 |
7 |
|
B |
25 |
9 |
12974 |
x |
B |
-x-1,y-1/2,-z-2 |
2_443 |
39 |
13 |
12974 |
314.9 |
2.0 |
0.759 |
6 |
1 |
0 |
0.000 |
| 7 |
8 |
|
B |
25 |
11 |
12974 |
◊ |
A |
x,y,z-1 |
1_554 |
20 |
6 |
13132 |
183.1 |
0.6 |
0.615 |
0 |
4 |
0 |
0.000 |
| 8 |
9 |
|
[SF4]B:401 |
8 |
1 |
298 |
f |
B |
x,y,z |
1_555 |
33 |
17 |
12974 |
177.0 |
-18.9 |
0.291 |
0 |
0 |
0 |
0.031 |
| 9 |
10 |
|
[SF4]A:401 |
8 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
30 |
15 |
13132 |
171.2 |
-18.5 |
0.321 |
0 |
0 |
0 |
0.032 |
| 10 |
11 |
|
[NTM]A:402 |
12 |
1 |
300 |
f |
A |
x,y,z |
1_555 |
35 |
19 |
13132 |
133.4 |
2.0 |
0.277 |
6 |
0 |
0 |
0.001 |
12 |
|
[NTM]B:402 |
12 |
1 |
299 |
f |
B |
x,y,z |
1_555 |
33 |
18 |
12974 |
131.9 |
2.4 |
0.323 |
6 |
0 |
0 |
0.001 |
| Average: |
132.6 |
2.2 |
0.300 |
6 |
0 |
0 |
0.001 |
| 11 |
13 |
|
[ACT]B:404 |
4 |
1 |
183 |
◊ |
A |
x,y,z-1 |
1_554 |
13 |
3 |
13132 |
81.9 |
0.4 |
0.781 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
A |
10 |
4 |
13132 |
◊ |
[ACT]B:403 |
-x,y-1/2,-z-1 |
2_544 |
4 |
1 |
183 |
73.0 |
0.5 |
0.712 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[ACT]B:403 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12974 |
62.7 |
0.6 |
0.763 |
2 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[ACT]B:404 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
12974 |
53.1 |
-1.2 |
0.318 |
0 |
0 |
0 |
0.002 |
| 15 |
17 |
|
B |
6 |
3 |
12974 |
x |
B |
x-1,y,z |
1_455 |
8 |
5 |
12974 |
51.1 |
0.5 |
0.580 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[NTM]A:402 |
5 |
1 |
300 |
f |
[SF4]A:401 |
x,y,z |
1_555 |
6 |
1 |
299 |
48.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 17 |
19 |
|
[NTM]B:402 |
5 |
1 |
299 |
f |
[SF4]B:401 |
x,y,z |
1_555 |
6 |
1 |
298 |
48.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 18 |
20 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
13132 |
45.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.014 |
21 |
|
[NA]B:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
12974 |
43.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
44.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.014 |
| 19 |
22 |
|
[CL]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
13132 |
42.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.011 |
23 |
|
[CL]B:407 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
12974 |
39.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
40.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 20 |
24 |
|
[NA]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
13132 |
41.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.011 |
25 |
|
[NA]B:405 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
12974 |
37.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
39.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 21 |
26 |
|
B |
3 |
1 |
12974 |
◊ |
[ACT]B:403 |
-x,y-1/2,-z-2 |
2_543 |
4 |
1 |
183 |
31.2 |
0.4 |
0.842 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[NA]A:405 |
1 |
1 |
125 |
f |
[NTM]A:402 |
x,y,z |
1_555 |
7 |
1 |
300 |
27.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.004 |
28 |
|
[NA]B:405 |
1 |
1 |
125 |
f |
[NTM]B:402 |
x,y,z |
1_555 |
7 |
1 |
299 |
27.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
27.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.004 |
| 23 |
29 |
|
[NA]B:406 |
1 |
1 |
125 |
f |
[NTM]B:402 |
x,y,z |
1_555 |
4 |
1 |
299 |
25.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.005 |
30 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
[NTM]A:402 |
x,y,z |
1_555 |
3 |
1 |
300 |
19.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
22.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.005 |
| 24 |
31 |
|
[CL]A:403 |
1 |
1 |
125 |
f |
[NTM]A:402 |
x,y,z |
1_555 |
5 |
1 |
300 |
24.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.004 |
32 |
|
[CL]B:407 |
1 |
1 |
125 |
f |
[NTM]B:402 |
x,y,z |
1_555 |
4 |
1 |
299 |
23.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
24.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.004 |
| 25 |
33 |
|
[NA]B:405 |
1 |
1 |
125 |
f |
[CL]B:407 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 26 |
34 |
|
[NA]A:405 |
1 |
1 |
125 |
f |
[CL]A:403 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 27 |
35 |
|
[NA]B:406 |
1 |
1 |
125 |
f |
[CL]B:407 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 28 |
36 |
|
[ACT]B:404 |
4 |
1 |
183 |
◊ |
[ACT]B:403 |
-x,y-1/2,-z-2 |
2_543 |
2 |
1 |
183 |
17.9 |
-0.1 |
0.781 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
[CL]A:403 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 30 |
38 |
|
[NA]B:406 |
1 |
1 |
125 |
f |
[NA]B:405 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| 31 |
39 |
|
[NA]A:405 |
1 |
1 |
125 |
f |
[NA]A:404 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| 32 |
40 |
|
[ACT]B:404 |
1 |
1 |
183 |
◊ |
B |
-x,y-1/2,-z-2 |
2_543 |
1 |
1 |
12974 |
0.4 |
0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
|