| ## |
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 |
190 |
46 |
7851 |
◊ |
A |
x,y,z |
1_555 |
185 |
44 |
7938 |
1931.1 |
-23.1 |
0.015 |
12 |
6 |
0 |
0.126 |
| 2 |
2 |
|
B |
46 |
10 |
7851 |
◊ |
A |
x,y,z-1 |
1_554 |
50 |
13 |
7938 |
443.0 |
-2.4 |
0.389 |
1 |
5 |
0 |
0.019 |
| 3 |
3 |
|
A |
25 |
8 |
7938 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
10 |
7851 |
220.8 |
-0.8 |
0.483 |
1 |
2 |
0 |
0.000 |
| 4 |
4 |
|
A |
20 |
5 |
7938 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
23 |
5 |
7938 |
175.7 |
3.3 |
0.816 |
3 |
4 |
0 |
0.000 |
| 5 |
5 |
|
B |
19 |
4 |
7851 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
18 |
6 |
7938 |
146.6 |
-1.4 |
0.349 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
21 |
6 |
7851 |
x |
B |
x-1,y,z |
1_455 |
18 |
4 |
7851 |
144.2 |
0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[BR]B:203 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
7851 |
81.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.060 |
| 8 |
8 |
|
[BR]A:208 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
7938 |
78.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.113 |
9 |
|
[BR]B:205 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
7851 |
77.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
78.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.113 |
| 9 |
10 |
|
[BR]A:203 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
7938 |
76.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.058 |
| 10 |
11 |
|
[BR]B:201 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
7851 |
74.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.094 |
12 |
|
[BR]A:202 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
7938 |
61.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.094 |
| Average: |
68.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.094 |
| 11 |
13 |
|
[BR]B:204 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
7851 |
72.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.106 |
14 |
|
[BR]A:205 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
7938 |
72.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.106 |
| Average: |
72.6 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.106 |
| 12 |
15 |
|
[BR]A:213 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7938 |
70.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.051 |
| 13 |
16 |
|
B |
8 |
4 |
7851 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
7938 |
70.7 |
0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[BR]A:201 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7938 |
65.9 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.089 |
18 |
|
[BR]B:202 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7851 |
63.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
64.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.089 |
| 15 |
19 |
|
[BR]A:209 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7938 |
65.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.091 |
20 |
|
[BR]B:208 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
7851 |
64.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
64.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.091 |
| 16 |
21 |
|
[BR]B:207 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
7851 |
61.9 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.094 |
22 |
|
[BR]A:206 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
7938 |
60.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.094 |
23 |
|
[BR]A:211 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
7938 |
37.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.094 |
24 |
|
[BR]A:211 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
7851 |
37.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.094 |
| Average: |
49.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.094 |
| 17 |
25 |
|
[BR]A:210 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
7938 |
60.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.045 |
| 18 |
26 |
|
[BR]A:207 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7938 |
57.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.077 |
27 |
|
[BR]B:206 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
7851 |
56.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
57.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.077 |
| 19 |
28 |
|
[BR]A:212 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7938 |
56.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.083 |
29 |
|
[BR]B:209 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7851 |
55.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.083 |
| Average: |
56.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.083 |
| 20 |
30 |
|
[SO4]B:210 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
7851 |
53.6 |
-5.9 |
0.919 |
2 |
0 |
0 |
0.036 |
| 21 |
31 |
|
[BR]A:204 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
7938 |
52.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.056 |
32 |
|
[BR]A:204 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7851 |
50.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.056 |
| Average: |
51.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.056 |
| 22 |
33 |
|
B |
5 |
3 |
7851 |
◊ |
A |
x-1,y,z-1 |
1_454 |
4 |
1 |
7938 |
48.4 |
0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[BR]A:202 |
1 |
1 |
133 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
10 |
4 |
7938 |
42.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
[BR]A:207 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7851 |
39.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.042 |
36 |
|
[BR]B:206 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7938 |
39.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
39.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.042 |
| 25 |
37 |
|
B |
9 |
3 |
7851 |
◊ |
[BR]A:201 |
x,y,z-1 |
1_554 |
1 |
1 |
133 |
34.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.042 |
38 |
|
[BR]B:202 |
1 |
1 |
133 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
3 |
7938 |
33.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
34.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.042 |
| 26 |
39 |
|
[BR]B:209 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7938 |
29.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.029 |
40 |
|
[BR]A:212 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7851 |
26.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
28.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.029 |
| 27 |
41 |
|
[BR]A:211 |
1 |
1 |
133 |
f |
[BR]A:206 |
x,y,z |
1_555 |
1 |
1 |
133 |
26.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.051 |
| 28 |
42 |
|
[BR]B:209 |
1 |
1 |
133 |
◊ |
[BR]A:212 |
x,y,z |
1_555 |
1 |
1 |
133 |
26.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| 29 |
43 |
|
[BR]B:207 |
1 |
1 |
133 |
f |
[BR]A:211 |
x,y,z |
1_555 |
1 |
1 |
133 |
25.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.049 |
| 30 |
44 |
|
[BR]B:201 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7938 |
23.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.018 |
45 |
|
[BR]A:202 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7851 |
13.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
18.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.018 |
| 31 |
46 |
|
[BR]A:206 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
7851 |
20.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
47 |
|
[BR]B:207 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
7938 |
20.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
20.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| 32 |
48 |
|
[BR]A:207 |
1 |
1 |
133 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
7851 |
18.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 33 |
49 |
|
A |
2 |
1 |
7938 |
x |
A |
x-1,y,z-1 |
1_454 |
3 |
1 |
7938 |
17.6 |
0.5 |
0.772 |
0 |
0 |
0 |
0.000 |
| 34 |
50 |
|
[SO4]B:210 |
1 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
7938 |
11.9 |
-1.2 |
0.781 |
0 |
0 |
0 |
0.006 |
| 35 |
51 |
|
[BR]A:205 |
1 |
1 |
133 |
f |
[BR]A:201 |
x,y,z |
1_555 |
1 |
1 |
133 |
10.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 36 |
52 |
|
[BR]B:204 |
1 |
1 |
133 |
f |
[BR]B:202 |
x,y,z |
1_555 |
1 |
1 |
133 |
8.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.009 |
| 37 |
53 |
|
[BR]B:203 |
1 |
1 |
133 |
f |
[BR]B:202 |
x,y,z |
1_555 |
1 |
1 |
133 |
8.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.008 |
| 38 |
54 |
|
B |
2 |
2 |
7851 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
7938 |
4.7 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
| 39 |
55 |
|
[BR]B:203 |
1 |
1 |
133 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
7938 |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 40 |
56 |
|
B |
1 |
1 |
7851 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
7851 |
2.5 |
0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
| 41 |
57 |
|
[SO4]B:210 |
2 |
1 |
185 |
f |
[BR]B:204 |
x,y,z |
1_555 |
1 |
1 |
133 |
1.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 42 |
58 |
|
B |
1 |
1 |
7851 |
◊ |
[BR]A:213 |
x-1,y,z-1 |
1_454 |
1 |
1 |
133 |
1.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
59 |
|
[BR]A:209 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7851 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|