| ## |
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 |
146 |
16 |
3227 |
◊ |
A |
x,y,z |
1_555 |
132 |
17 |
3408 |
1247.7 |
-12.7 |
0.465 |
31 |
0 |
0 |
0.899 |
2 |
|
D |
117 |
15 |
2555 |
◊ |
C |
x,y,z |
1_555 |
114 |
16 |
2657 |
1046.2 |
-11.6 |
0.982 |
24 |
0 |
0 |
0.899 |
3 |
|
F |
114 |
15 |
2558 |
◊ |
E |
x,y,z |
1_555 |
107 |
15 |
2474 |
1000.8 |
-13.0 |
1.000 |
25 |
0 |
0 |
0.899 |
| Average: |
1098.3 |
-12.4 |
0.816 |
27 |
0 |
0 |
0.899 |
| 2 |
4 |
|
B |
22 |
6 |
3227 |
◊ |
C |
x-1,y,z |
1_455 |
22 |
7 |
2657 |
233.3 |
-5.1 |
0.349 |
1 |
0 |
0 |
0.000 |
5 |
|
E |
13 |
5 |
2474 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
3408 |
158.2 |
-2.9 |
0.437 |
1 |
0 |
0 |
0.000 |
| Average: |
195.7 |
-4.0 |
0.393 |
1 |
0 |
0 |
0.000 |
| 3 |
6 |
|
F |
21 |
4 |
2558 |
◊ |
B |
x,y,z |
1_555 |
23 |
3 |
3227 |
216.9 |
-2.5 |
0.675 |
0 |
0 |
0 |
0.000 |
7 |
|
A |
24 |
4 |
3408 |
◊ |
D |
x-1,y,z |
1_455 |
21 |
3 |
2555 |
154.9 |
-1.4 |
0.764 |
0 |
0 |
0 |
0.000 |
| Average: |
185.9 |
-2.0 |
0.719 |
0 |
0 |
0 |
0.000 |
| 4 |
8 |
|
B |
20 |
3 |
3227 |
◊ |
D |
x-1,y,z |
1_455 |
19 |
4 |
2555 |
195.0 |
-3.0 |
0.644 |
0 |
0 |
0 |
0.000 |
9 |
|
F |
4 |
2 |
2558 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
3408 |
16.8 |
-0.5 |
0.539 |
0 |
0 |
0 |
0.000 |
| Average: |
105.9 |
-1.8 |
0.592 |
0 |
0 |
0 |
0.000 |
| 5 |
10 |
|
C |
21 |
3 |
2657 |
◊ |
B |
x,y,z |
1_555 |
21 |
3 |
3227 |
185.8 |
2.5 |
0.922 |
0 |
0 |
0 |
0.000 |
11 |
|
E |
13 |
3 |
2474 |
◊ |
A |
x,y,z-1 |
1_554 |
16 |
3 |
3408 |
142.9 |
-3.8 |
0.326 |
0 |
0 |
0 |
0.000 |
| Average: |
164.3 |
-0.7 |
0.624 |
0 |
0 |
0 |
0.000 |
| 6 |
12 |
|
E |
16 |
6 |
2474 |
◊ |
B |
x,y,z |
1_555 |
19 |
2 |
3227 |
164.2 |
-2.0 |
0.730 |
1 |
0 |
0 |
0.000 |
13 |
|
A |
11 |
2 |
3408 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
2 |
2657 |
94.0 |
0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
| Average: |
129.1 |
-1.0 |
0.660 |
1 |
0 |
0 |
0.000 |
| 7 |
14 |
|
A |
16 |
2 |
3408 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
14 |
5 |
3408 |
126.0 |
2.5 |
0.463 |
0 |
0 |
0 |
0.000 |
| 8 |
15 |
|
E |
15 |
3 |
2474 |
◊ |
B |
x,y,z-1 |
1_554 |
15 |
4 |
3227 |
123.9 |
-3.7 |
0.430 |
0 |
0 |
0 |
0.000 |
16 |
|
D |
6 |
4 |
2555 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
3227 |
106.7 |
-1.1 |
0.372 |
0 |
0 |
0 |
0.000 |
17 |
|
F |
9 |
6 |
2558 |
◊ |
A |
x,y,z-1 |
1_554 |
12 |
4 |
3408 |
100.8 |
-2.8 |
0.331 |
0 |
0 |
0 |
0.000 |
| Average: |
110.5 |
-2.6 |
0.378 |
0 |
0 |
0 |
0.000 |
| 9 |
18 |
|
A |
21 |
3 |
3408 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
13 |
1 |
3227 |
108.6 |
1.2 |
0.711 |
2 |
0 |
0 |
0.000 |
| 10 |
19 |
|
F |
11 |
5 |
2558 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
4 |
3227 |
103.2 |
-1.6 |
0.645 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
8 |
4 |
2555 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
3408 |
48.3 |
-1.0 |
0.544 |
0 |
0 |
0 |
0.000 |
| Average: |
75.7 |
-1.3 |
0.595 |
0 |
0 |
0 |
0.000 |
| 11 |
21 |
|
A |
12 |
3 |
3408 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
9 |
3 |
2474 |
94.5 |
-0.0 |
0.701 |
0 |
0 |
0 |
0.000 |
22 |
|
C |
3 |
1 |
2657 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
3227 |
43.9 |
-1.2 |
0.369 |
0 |
0 |
0 |
0.000 |
| Average: |
69.2 |
-0.6 |
0.535 |
0 |
0 |
0 |
0.000 |
| 12 |
23 |
|
C |
9 |
2 |
2657 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
2555 |
89.0 |
-1.2 |
0.710 |
1 |
0 |
0 |
0.000 |
24 |
|
F |
12 |
4 |
2558 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
10 |
2 |
2474 |
88.0 |
-1.2 |
0.877 |
1 |
0 |
0 |
0.000 |
| Average: |
88.5 |
-1.2 |
0.794 |
1 |
0 |
0 |
0.000 |
| 13 |
25 |
|
B |
8 |
2 |
3227 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
13 |
4 |
2474 |
88.7 |
-1.5 |
0.664 |
2 |
0 |
0 |
0.000 |
26 |
|
C |
13 |
4 |
2657 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
2 |
3408 |
85.3 |
-1.4 |
0.520 |
2 |
0 |
0 |
0.000 |
| Average: |
87.0 |
-1.4 |
0.592 |
2 |
0 |
0 |
0.000 |
| 14 |
27 |
|
D |
10 |
3 |
2555 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
2 |
2555 |
87.8 |
-1.1 |
0.881 |
2 |
0 |
0 |
0.000 |
28 |
|
F |
8 |
2 |
2558 |
x |
F |
-x,y-1/2,-z |
2_545 |
10 |
3 |
2558 |
84.4 |
-1.0 |
0.870 |
2 |
0 |
0 |
0.000 |
| Average: |
86.1 |
-1.1 |
0.875 |
2 |
0 |
0 |
0.000 |
| 15 |
29 |
|
[ETA]C:16 |
4 |
1 |
197 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
2555 |
84.7 |
-0.2 |
0.819 |
4 |
0 |
0 |
0.078 |
| 16 |
30 |
|
[ETA]A:16 |
4 |
1 |
196 |
cf |
A |
x,y,z |
1_555 |
16 |
3 |
3408 |
84.5 |
0.0 |
0.683 |
0 |
0 |
0 |
0.100 |
31 |
|
[ETA]B:16 |
3 |
1 |
195 |
cf |
B |
x,y,z |
1_555 |
5 |
1 |
3227 |
38.9 |
-0.3 |
0.617 |
0 |
0 |
0 |
0.100 |
| Average: |
61.7 |
-0.1 |
0.650 |
0 |
0 |
0 |
0.100 |
| 17 |
32 |
|
[ETA]E:16 |
4 |
1 |
197 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
2558 |
84.1 |
-0.0 |
0.821 |
4 |
0 |
0 |
0.068 |
| 18 |
33 |
|
C |
7 |
3 |
2657 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
3408 |
79.3 |
-2.3 |
0.226 |
0 |
0 |
0 |
0.000 |
| 19 |
34 |
|
A |
15 |
2 |
3408 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
11 |
1 |
2558 |
69.3 |
0.5 |
0.846 |
0 |
0 |
0 |
0.000 |
| 20 |
35 |
|
A |
10 |
2 |
3408 |
◊ |
[ETA]B:16 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
195 |
64.4 |
1.4 |
0.748 |
0 |
0 |
0 |
0.000 |
| 21 |
36 |
|
[ETA]A:16 |
4 |
1 |
196 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
3227 |
59.6 |
0.1 |
0.722 |
4 |
0 |
0 |
0.090 |
37 |
|
[ETA]B:16 |
4 |
1 |
195 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
3408 |
57.2 |
0.1 |
0.660 |
4 |
0 |
0 |
0.090 |
| Average: |
58.4 |
0.1 |
0.691 |
4 |
0 |
0 |
0.090 |
| 22 |
38 |
|
A |
5 |
1 |
3408 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
2657 |
52.1 |
0.9 |
0.562 |
0 |
0 |
0 |
0.000 |
| 23 |
39 |
|
F |
6 |
3 |
2558 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
2657 |
51.8 |
-0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
40 |
|
E |
3 |
1 |
2474 |
◊ |
D |
x-1,y,z-1 |
1_454 |
2 |
1 |
2555 |
21.6 |
-0.7 |
0.470 |
0 |
0 |
0 |
0.000 |
| Average: |
36.7 |
-0.4 |
0.590 |
0 |
0 |
0 |
0.000 |
| 24 |
41 |
|
[NA]A:1018 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
2 |
3408 |
50.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.188 |
| 25 |
42 |
|
[ETA]C:16 |
3 |
1 |
197 |
cf |
C |
x,y,z |
1_555 |
4 |
1 |
2657 |
49.4 |
-0.2 |
0.632 |
0 |
0 |
0 |
0.100 |
| 26 |
43 |
|
[ETA]E:16 |
3 |
1 |
197 |
cf |
E |
x,y,z |
1_555 |
4 |
1 |
2474 |
49.1 |
-0.2 |
0.651 |
0 |
0 |
0 |
0.100 |
| 27 |
44 |
|
A |
8 |
3 |
3408 |
◊ |
[ETA]F:16 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
196 |
47.6 |
0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
| 28 |
45 |
|
A |
6 |
1 |
3408 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
2657 |
45.7 |
-0.3 |
0.596 |
1 |
0 |
0 |
0.000 |
| 29 |
46 |
|
C |
8 |
2 |
2657 |
◊ |
[ETA]C:16 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
197 |
43.3 |
-0.1 |
0.639 |
1 |
0 |
0 |
0.000 |
| 30 |
47 |
|
[ETA]E:16 |
3 |
1 |
197 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
8 |
2 |
2474 |
42.8 |
-0.3 |
0.689 |
1 |
0 |
0 |
0.000 |
| 31 |
48 |
|
A |
6 |
2 |
3408 |
◊ |
[ETA]D:16 |
x-1,y,z |
1_455 |
4 |
1 |
195 |
41.6 |
1.4 |
0.807 |
0 |
0 |
0 |
0.000 |
| 32 |
49 |
|
F |
3 |
2 |
2558 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
1 |
2657 |
40.9 |
-1.3 |
0.437 |
0 |
0 |
0 |
0.000 |
50 |
|
E |
4 |
1 |
2474 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
2555 |
39.5 |
-1.3 |
0.457 |
0 |
0 |
0 |
0.000 |
| Average: |
40.2 |
-1.3 |
0.447 |
0 |
0 |
0 |
0.000 |
| 33 |
51 |
|
B |
9 |
3 |
3227 |
◊ |
[ETA]F:16 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
196 |
39.7 |
-0.5 |
0.601 |
1 |
0 |
0 |
0.000 |
| 34 |
52 |
|
[ETA]D:16 |
3 |
1 |
195 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
3 |
3408 |
39.3 |
-0.5 |
0.524 |
0 |
0 |
0 |
0.000 |
| 35 |
53 |
|
[ETA]F:16 |
3 |
1 |
196 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
2474 |
37.2 |
-0.1 |
0.697 |
1 |
0 |
0 |
0.018 |
| 36 |
54 |
|
[ETA]F:16 |
4 |
1 |
196 |
cf |
F |
x,y,z |
1_555 |
6 |
1 |
2558 |
37.0 |
-0.1 |
0.719 |
0 |
0 |
0 |
0.100 |
| 37 |
55 |
|
[ETA]D:16 |
4 |
1 |
195 |
cf |
D |
x,y,z |
1_555 |
8 |
1 |
2555 |
36.7 |
-0.1 |
0.768 |
0 |
0 |
0 |
0.100 |
| 38 |
56 |
|
E |
3 |
2 |
2474 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
2657 |
36.6 |
0.3 |
0.627 |
0 |
0 |
0 |
0.000 |
57 |
|
E |
2 |
1 |
2474 |
◊ |
C |
x-1,y,z-1 |
1_454 |
1 |
1 |
2657 |
5.0 |
-0.2 |
0.516 |
0 |
0 |
0 |
0.000 |
| Average: |
20.8 |
0.1 |
0.572 |
0 |
0 |
0 |
0.000 |
| 39 |
58 |
|
[ETA]D:16 |
3 |
1 |
195 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
2657 |
35.1 |
-0.1 |
0.642 |
1 |
0 |
0 |
0.024 |
| 40 |
59 |
|
A |
3 |
1 |
3408 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
2555 |
33.3 |
0.5 |
0.651 |
0 |
0 |
0 |
0.000 |
| 41 |
60 |
|
[NA]A:1018 |
1 |
1 |
125 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
2558 |
22.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[NA]A:1018 |
1 |
1 |
125 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
2555 |
21.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
22.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
62 |
|
B |
7 |
2 |
3227 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
2558 |
21.4 |
-0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
63 |
|
D |
3 |
2 |
2555 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
3408 |
18.9 |
-0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
| Average: |
20.2 |
-0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
| 43 |
64 |
|
[ETA]D:16 |
2 |
1 |
195 |
◊ |
[ETA]B:16 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
195 |
21.3 |
-0.6 |
0.306 |
0 |
0 |
0 |
0.000 |
| 44 |
65 |
|
[ETA]A:16 |
2 |
1 |
196 |
◊ |
[ETA]F:16 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
196 |
21.1 |
-0.6 |
0.306 |
0 |
0 |
0 |
0.000 |
| 45 |
66 |
|
F |
5 |
2 |
2558 |
◊ |
[ETA]F:16 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
196 |
17.5 |
0.1 |
0.777 |
0 |
0 |
0 |
0.000 |
| 46 |
67 |
|
[ETA]D:16 |
4 |
1 |
195 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
2555 |
16.4 |
0.0 |
0.784 |
0 |
0 |
0 |
0.000 |
| 47 |
68 |
|
[ETA]D:16 |
1 |
1 |
195 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
3227 |
8.8 |
-0.2 |
0.545 |
0 |
0 |
0 |
0.000 |
| 48 |
69 |
|
[ETA]A:16 |
1 |
1 |
196 |
◊ |
[ETA]B:16 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
195 |
8.4 |
-0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
| 49 |
70 |
|
[ETA]E:16 |
2 |
1 |
197 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
1 |
1 |
2558 |
3.7 |
-0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
71 |
|
D |
1 |
1 |
2555 |
◊ |
[ETA]C:16 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
197 |
0.9 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
| Average: |
2.3 |
-0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
| 50 |
72 |
|
[NA]A:1018 |
1 |
1 |
125 |
◊ |
[ETA]F:16 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
196 |
3.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
|
[NA]A:1018 |
1 |
1 |
125 |
◊ |
[ETA]D:16 |
x-1,y,z |
1_455 |
1 |
1 |
195 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
74 |
|
E |
1 |
1 |
2474 |
◊ |
[ETA]A:16 |
x,y,z-1 |
1_554 |
1 |
1 |
196 |
2.2 |
-0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
75 |
|
[ETA]B:16 |
1 |
1 |
195 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2657 |
1.6 |
-0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
| Average: |
1.9 |
-0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
| 52 |
76 |
|
E |
1 |
1 |
2474 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
1 |
1 |
2558 |
1.1 |
-0.0 |
0.717 |
0 |
0 |
0 |
0.000 |
|