## |
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 |
103 |
27 |
12488 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
107 |
28 |
11975 |
978.8 |
-7.4 |
0.254 |
3 |
10 |
0 |
0.126 |
2 |
2 |
|
A |
68 |
26 |
12488 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
55 |
16 |
12488 |
570.5 |
3.1 |
0.792 |
2 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
44 |
7 |
1082 |
◊ |
A |
x,y,z |
1_555 |
54 |
23 |
12488 |
535.3 |
-7.5 |
0.622 |
10 |
2 |
0 |
0.329 |
4 |
|
D |
32 |
6 |
864 |
◊ |
C |
x,y,z |
1_555 |
44 |
21 |
11975 |
419.3 |
-8.3 |
0.660 |
8 |
1 |
0 |
0.329 |
Average: |
477.3 |
-7.9 |
0.641 |
9 |
2 |
0 |
0.329 |
4 |
5 |
|
A |
44 |
14 |
12488 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
50 |
16 |
11975 |
460.6 |
-3.2 |
0.308 |
0 |
6 |
0 |
0.000 |
5 |
6 |
|
A |
39 |
8 |
12488 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
36 |
10 |
11975 |
346.5 |
-4.3 |
0.210 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
26 |
8 |
12488 |
◊ |
C |
x-1,y,z |
1_455 |
27 |
8 |
11975 |
212.5 |
-0.2 |
0.599 |
2 |
2 |
0 |
0.000 |
7 |
8 |
|
[D3W]B:101 |
15 |
1 |
463 |
◊ |
A |
x,y,z |
1_555 |
20 |
11 |
12488 |
179.3 |
-1.8 |
0.593 |
0 |
0 |
0 |
0.032 |
9 |
|
[D3W]D:101 |
13 |
1 |
462 |
◊ |
C |
x,y,z |
1_555 |
19 |
9 |
11975 |
153.3 |
-1.1 |
0.666 |
0 |
0 |
0 |
0.032 |
Average: |
166.3 |
-1.5 |
0.630 |
0 |
0 |
0 |
0.032 |
8 |
10 |
|
C |
14 |
5 |
11975 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
12488 |
142.5 |
2.0 |
0.840 |
1 |
1 |
0 |
0.000 |
9 |
11 |
|
A |
14 |
4 |
12488 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
12 |
5 |
12488 |
120.1 |
-0.4 |
0.499 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
C |
11 |
5 |
11975 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
15 |
4 |
11975 |
117.9 |
-0.5 |
0.505 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
B |
11 |
5 |
1082 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
4 |
11975 |
114.2 |
-2.7 |
0.336 |
0 |
0 |
0 |
0.083 |
12 |
14 |
|
[D3W]D:101 |
10 |
1 |
462 |
cf |
D |
x,y,z |
1_555 |
10 |
3 |
864 |
101.2 |
-2.3 |
0.832 |
0 |
0 |
0 |
0.100 |
15 |
|
[D3W]B:101 |
10 |
1 |
463 |
cf |
B |
x,y,z |
1_555 |
10 |
3 |
1082 |
98.0 |
-2.4 |
0.725 |
0 |
0 |
0 |
0.100 |
Average: |
99.6 |
-2.4 |
0.778 |
0 |
0 |
0 |
0.100 |
13 |
16 |
|
[D3W]B:101 |
9 |
1 |
463 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
3 |
11975 |
100.0 |
-2.9 |
0.314 |
0 |
0 |
0 |
0.090 |
14 |
17 |
|
[NA]A:305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
12488 |
56.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.139 |
15 |
18 |
|
[ACE]B:1 |
3 |
1 |
172 |
cf |
B |
x,y,z |
1_555 |
5 |
2 |
1082 |
55.5 |
-0.2 |
0.863 |
0 |
0 |
0 |
0.008 |
16 |
19 |
|
[NA]C:303 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
11975 |
55.2 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.236 |
17 |
20 |
|
A |
11 |
3 |
12488 |
f |
[CL]C:302 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
125 |
54.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.224 |
21 |
|
[CL]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
11975 |
53.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.224 |
Average: |
53.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.224 |
18 |
22 |
|
[NA]A:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12488 |
53.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[NA]A:305 |
1 |
1 |
125 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
4 |
11975 |
43.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
48.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[NA]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12488 |
52.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.117 |
20 |
25 |
|
[NA]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12488 |
50.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.112 |
21 |
26 |
|
[NA]C:304 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
11975 |
48.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.186 |
22 |
27 |
|
A |
8 |
2 |
12488 |
f |
[NA]A:304 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
125 |
47.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.106 |
23 |
28 |
|
A |
6 |
3 |
12488 |
◊ |
[CL]C:301 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
125 |
43.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.137 |
29 |
|
[CL]C:302 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
11975 |
41.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
42.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.137 |
24 |
30 |
|
[NA]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12488 |
42.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.087 |
25 |
31 |
|
B |
3 |
1 |
1082 |
◊ |
[NA]C:303 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
24.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.100 |
26 |
32 |
|
[NA]A:301 |
1 |
1 |
125 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
11975 |
24.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
A |
4 |
2 |
12488 |
◊ |
[NA]C:304 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
24.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
A |
6 |
2 |
12488 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
11975 |
23.2 |
0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[NA]A:303 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
12488 |
17.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
A |
2 |
1 |
12488 |
◊ |
[NA]C:303 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
11.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[NA]A:302 |
1 |
1 |
125 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
11975 |
10.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[ACE]B:1 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12488 |
6.3 |
0.0 |
0.781 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[NA]A:305 |
1 |
1 |
125 |
f |
[NA]A:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
|