| ## |
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 |
90 |
23 |
6439 |
◊ |
A |
x,y,z |
1_555 |
88 |
23 |
6344 |
830.2 |
-9.6 |
0.194 |
19 |
0 |
0 |
0.214 |
| 2 |
2 |
|
A |
45 |
15 |
6344 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
50 |
19 |
6344 |
388.6 |
-2.4 |
0.530 |
3 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
45 |
16 |
6439 |
x |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
41 |
11 |
6439 |
376.8 |
-0.3 |
0.708 |
8 |
1 |
0 |
0.000 |
| 4 |
4 |
|
B |
36 |
10 |
6439 |
◊ |
A |
-x-1,-y,z |
2_455 |
35 |
9 |
6344 |
292.5 |
-4.6 |
0.192 |
3 |
0 |
0 |
0.056 |
| 5 |
5 |
|
B |
36 |
15 |
6439 |
◊ |
B |
-x-1,-y,z |
2_455 |
36 |
15 |
6439 |
263.5 |
-4.3 |
0.112 |
2 |
0 |
0 |
0.091 |
6 |
|
A |
34 |
15 |
6344 |
◊ |
A |
-x-1,-y,z |
2_455 |
34 |
15 |
6344 |
253.1 |
-3.6 |
0.140 |
2 |
0 |
0 |
0.091 |
| Average: |
258.3 |
-3.9 |
0.126 |
2 |
0 |
0 |
0.091 |
| 6 |
7 |
|
[MKT]B:200 |
29 |
1 |
627 |
◊ |
B |
-x-1,-y,z |
2_455 |
35 |
13 |
6439 |
197.5 |
-4.3 |
0.313 |
0 |
0 |
0 |
0.092 |
8 |
|
[MKT]A:201 |
29 |
1 |
625 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
6344 |
193.8 |
-4.4 |
0.265 |
0 |
0 |
0 |
0.092 |
| Average: |
195.6 |
-4.4 |
0.289 |
0 |
0 |
0 |
0.092 |
| 7 |
9 |
|
[MKT]A:201 |
27 |
1 |
625 |
◊ |
A |
-x-1,-y,z |
2_455 |
29 |
12 |
6344 |
167.6 |
-3.1 |
0.384 |
0 |
0 |
0 |
0.066 |
10 |
|
[MKT]B:200 |
27 |
1 |
627 |
◊ |
B |
x,y,z |
1_555 |
27 |
12 |
6439 |
161.5 |
-3.1 |
0.318 |
0 |
0 |
0 |
0.066 |
| Average: |
164.6 |
-3.1 |
0.351 |
0 |
0 |
0 |
0.066 |
| 8 |
11 |
|
B |
16 |
4 |
6439 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
5 |
6344 |
154.3 |
0.4 |
0.679 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[MKT]A:201 |
21 |
1 |
625 |
f |
[MKT]A:201 |
-x-1,-y,z |
2_455 |
21 |
1 |
625 |
131.2 |
-2.1 |
0.959 |
0 |
0 |
0 |
0.100 |
13 |
|
[MKT]B:200 |
21 |
1 |
627 |
f |
[MKT]B:200 |
-x-1,-y,z |
2_455 |
21 |
1 |
627 |
130.0 |
-2.2 |
0.951 |
0 |
0 |
0 |
0.100 |
| Average: |
130.6 |
-2.2 |
0.955 |
0 |
0 |
0 |
0.100 |
| 10 |
14 |
|
[BR]A:206 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
6344 |
61.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.296 |
15 |
|
[BR]B:203 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
6439 |
60.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.296 |
| Average: |
60.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.296 |
| 11 |
16 |
|
[BR]A:204 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
6344 |
57.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.167 |
| 12 |
17 |
|
A |
9 |
4 |
6344 |
◊ |
[BR]A:205 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
133 |
51.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[BR]A:205 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
6344 |
50.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.161 |
| 14 |
19 |
|
A |
9 |
2 |
6344 |
◊ |
[BR]A:204 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
133 |
47.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[BR]A:203 |
1 |
1 |
133 |
f |
A |
-x-1,-y,z |
2_455 |
9 |
5 |
6344 |
46.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.226 |
21 |
|
[BR]B:201 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
6439 |
45.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.226 |
| Average: |
45.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.226 |
| 16 |
22 |
|
[BR]B:203 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
6344 |
44.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.129 |
23 |
|
[BR]A:206 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6439 |
43.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.129 |
| Average: |
44.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.129 |
| 17 |
24 |
|
[BR]A:202 |
1 |
1 |
133 |
f |
A |
-x-1,-y,z |
2_455 |
17 |
7 |
6344 |
37.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.194 |
25 |
|
[BR]B:202 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
6439 |
37.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.194 |
| Average: |
37.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.194 |
| 18 |
26 |
|
[BR]B:202 |
1 |
1 |
133 |
◊ |
[MKT]B:200 |
-x-1,-y,z |
2_455 |
4 |
1 |
627 |
35.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.094 |
27 |
|
[BR]A:202 |
1 |
1 |
133 |
◊ |
[MKT]A:201 |
-x-1,-y,z |
2_455 |
3 |
1 |
625 |
34.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.094 |
| Average: |
35.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.094 |
| 19 |
28 |
|
[BR]B:201 |
1 |
1 |
133 |
◊ |
B |
-x-1,-y,z |
2_455 |
5 |
2 |
6439 |
29.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.155 |
29 |
|
[BR]A:203 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6344 |
29.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.155 |
| Average: |
29.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.155 |
| 20 |
30 |
|
[BR]B:201 |
1 |
1 |
133 |
◊ |
[MKT]B:200 |
x,y,z |
1_555 |
4 |
1 |
627 |
25.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.070 |
31 |
|
[BR]A:203 |
1 |
1 |
133 |
◊ |
[MKT]A:201 |
x,y,z |
1_555 |
4 |
1 |
625 |
23.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.070 |
| Average: |
24.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.070 |
| 21 |
32 |
|
[BR]B:202 |
1 |
1 |
133 |
◊ |
[MKT]B:200 |
x,y,z |
1_555 |
5 |
1 |
627 |
25.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.057 |
33 |
|
[BR]A:202 |
1 |
1 |
133 |
◊ |
[MKT]A:201 |
x,y,z |
1_555 |
4 |
1 |
625 |
25.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
25.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.057 |
| 22 |
34 |
|
A |
2 |
1 |
6344 |
x |
A |
x-1,y,z |
1_455 |
2 |
1 |
6344 |
12.7 |
0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
| 23 |
35 |
|
[BR]A:202 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6344 |
9.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.036 |
36 |
|
[BR]B:202 |
1 |
1 |
133 |
◊ |
B |
-x-1,-y,z |
2_455 |
1 |
1 |
6439 |
9.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
9.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.036 |
| 24 |
37 |
|
[BR]B:202 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
6344 |
6.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
38 |
|
[BR]A:202 |
1 |
1 |
133 |
◊ |
B |
-x-1,-y,z |
2_455 |
2 |
2 |
6439 |
6.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
6.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 25 |
39 |
|
[MKT]B:200 |
3 |
1 |
627 |
◊ |
A |
-x-1,-y,z |
2_455 |
2 |
2 |
6344 |
6.8 |
-0.0 |
0.747 |
0 |
0 |
0 |
0.000 |
40 |
|
[MKT]A:201 |
3 |
1 |
625 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
6439 |
6.6 |
-0.0 |
0.751 |
0 |
0 |
0 |
0.000 |
| Average: |
6.7 |
-0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
| 26 |
41 |
|
A |
1 |
1 |
6344 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
6439 |
3.4 |
0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
| 27 |
42 |
|
[BR]B:202 |
1 |
1 |
133 |
◊ |
[BR]B:202 |
-x-1,-y,z |
2_455 |
1 |
1 |
133 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| 28 |
43 |
|
A |
1 |
1 |
6344 |
◊ |
[BR]B:203 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
133 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
44 |
|
[BR]A:202 |
1 |
1 |
133 |
◊ |
[BR]A:202 |
-x-1,-y,z |
2_455 |
1 |
1 |
133 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|