## |
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 |
152 |
37 |
11382 |
◊ |
A |
x,y,z |
1_555 |
152 |
35 |
11314 |
1419.7 |
-13.9 |
0.244 |
13 |
7 |
0 |
0.370 |
2 |
|
D |
149 |
34 |
11285 |
◊ |
C |
x,y,z |
1_555 |
146 |
34 |
11496 |
1402.0 |
-15.3 |
0.191 |
12 |
5 |
0 |
0.370 |
Average: |
1410.8 |
-14.6 |
0.218 |
13 |
6 |
0 |
0.370 |
2 |
3 |
|
[GTX]A:301 |
26 |
1 |
639 |
f |
A |
x,y,z |
1_555 |
61 |
23 |
11314 |
441.4 |
-9.1 |
0.370 |
8 |
0 |
0 |
0.487 |
4 |
|
[GTX]D:301 |
26 |
1 |
636 |
f |
D |
x,y,z |
1_555 |
66 |
24 |
11285 |
438.1 |
-10.2 |
0.257 |
10 |
0 |
0 |
0.487 |
5 |
|
[GTX]C:301 |
26 |
1 |
632 |
f |
C |
x,y,z |
1_555 |
63 |
24 |
11496 |
435.3 |
-8.9 |
0.401 |
10 |
0 |
0 |
0.487 |
6 |
|
[GTX]B:301 |
26 |
1 |
636 |
f |
B |
x,y,z |
1_555 |
63 |
24 |
11382 |
434.8 |
-9.9 |
0.261 |
9 |
0 |
0 |
0.487 |
Average: |
437.4 |
-9.5 |
0.322 |
9 |
0 |
0 |
0.487 |
3 |
7 |
|
D |
37 |
11 |
11285 |
◊ |
A |
x,y,z |
1_555 |
52 |
14 |
11314 |
363.4 |
-3.8 |
0.399 |
2 |
0 |
0 |
0.000 |
4 |
8 |
|
D |
39 |
12 |
11285 |
◊ |
C |
x-1/2,-y-1/2,-z-1 |
4_444 |
39 |
10 |
11496 |
350.6 |
-5.9 |
0.180 |
0 |
0 |
0 |
0.000 |
9 |
|
B |
40 |
12 |
11382 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
41 |
11 |
11314 |
343.7 |
-5.5 |
0.194 |
1 |
0 |
0 |
0.000 |
Average: |
347.1 |
-5.7 |
0.187 |
1 |
0 |
0 |
0.000 |
5 |
10 |
|
B |
26 |
6 |
11382 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
24 |
9 |
11285 |
203.0 |
-1.5 |
0.509 |
3 |
0 |
0 |
0.000 |
6 |
11 |
|
D |
18 |
8 |
11285 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
21 |
8 |
11314 |
194.4 |
-3.3 |
0.223 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
C |
19 |
5 |
11496 |
◊ |
D |
x-1/2,-y-1/2,-z-1 |
4_444 |
14 |
5 |
11285 |
146.7 |
-3.8 |
0.106 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
B |
10 |
6 |
11382 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
14 |
6 |
11285 |
101.8 |
2.9 |
0.924 |
2 |
2 |
0 |
0.000 |
9 |
14 |
|
C |
9 |
4 |
11496 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
11314 |
98.8 |
1.0 |
0.802 |
1 |
1 |
0 |
0.000 |
10 |
15 |
|
C |
17 |
6 |
11496 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
13 |
7 |
11314 |
98.5 |
0.9 |
0.782 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[IOD]C:403 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
11496 |
98.1 |
0.4 |
0.841 |
0 |
0 |
0 |
0.016 |
17 |
|
[IOD]B:409 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
11382 |
86.0 |
-0.5 |
0.707 |
0 |
0 |
0 |
0.016 |
18 |
|
[IOD]D:403 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
11285 |
85.6 |
-0.4 |
0.738 |
0 |
0 |
0 |
0.016 |
19 |
|
[IOD]A:403 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
11314 |
81.6 |
-0.5 |
0.692 |
0 |
0 |
0 |
0.016 |
Average: |
87.8 |
-0.2 |
0.744 |
0 |
0 |
0 |
0.016 |
12 |
20 |
|
A |
15 |
5 |
11314 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
12 |
3 |
11382 |
98.1 |
-0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
B |
7 |
2 |
11382 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
4 |
11314 |
89.8 |
0.5 |
0.716 |
0 |
0 |
0 |
0.000 |
22 |
|
D |
5 |
2 |
11285 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
11496 |
55.5 |
0.7 |
0.777 |
1 |
0 |
0 |
0.000 |
Average: |
72.7 |
0.6 |
0.746 |
1 |
0 |
0 |
0.000 |
14 |
23 |
|
[IOD]C:404 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
11496 |
87.4 |
-0.2 |
0.693 |
0 |
0 |
0 |
0.004 |
24 |
|
[IOD]A:406 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
11314 |
86.8 |
-0.2 |
0.716 |
0 |
0 |
0 |
0.004 |
Average: |
87.1 |
-0.2 |
0.705 |
0 |
0 |
0 |
0.004 |
15 |
25 |
|
C |
9 |
3 |
11496 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11382 |
78.9 |
-0.2 |
0.605 |
0 |
1 |
0 |
0.000 |
16 |
26 |
|
B |
11 |
5 |
11382 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
4 |
11496 |
78.5 |
-1.2 |
0.407 |
0 |
1 |
0 |
0.000 |
17 |
27 |
|
[IOD]C:401 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11496 |
74.9 |
-0.5 |
0.649 |
0 |
0 |
0 |
0.017 |
28 |
|
[IOD]D:401 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
11285 |
74.8 |
-0.5 |
0.642 |
0 |
0 |
0 |
0.017 |
29 |
|
[IOD]A:401 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11314 |
74.6 |
-0.5 |
0.615 |
0 |
0 |
0 |
0.017 |
30 |
|
[IOD]B:401 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11382 |
74.2 |
-0.5 |
0.627 |
0 |
0 |
0 |
0.017 |
Average: |
74.6 |
-0.5 |
0.633 |
0 |
0 |
0 |
0.017 |
18 |
31 |
|
C |
6 |
4 |
11496 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
11 |
5 |
11314 |
74.3 |
0.2 |
0.709 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[IOD]C:402 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
13 |
9 |
11496 |
70.6 |
-1.0 |
0.455 |
0 |
0 |
0 |
0.034 |
33 |
|
[IOD]A:402 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
11314 |
70.4 |
-1.1 |
0.423 |
0 |
0 |
0 |
0.034 |
34 |
|
[IOD]D:402 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
14 |
10 |
11285 |
69.3 |
-0.9 |
0.474 |
0 |
0 |
0 |
0.034 |
35 |
|
[IOD]B:402 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
11382 |
68.5 |
-0.8 |
0.376 |
0 |
0 |
0 |
0.034 |
Average: |
69.7 |
-1.0 |
0.432 |
0 |
0 |
0 |
0.034 |
20 |
36 |
|
[IOD]C:405 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
11496 |
69.8 |
-0.0 |
0.766 |
0 |
0 |
0 |
0.000 |
37 |
|
[IOD]B:403 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
11314 |
69.1 |
0.2 |
0.822 |
0 |
0 |
0 |
0.000 |
38 |
|
[IOD]B:403 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
11382 |
59.8 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
39 |
|
[IOD]C:405 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
11285 |
59.8 |
0.2 |
0.826 |
0 |
0 |
0 |
0.000 |
Average: |
64.6 |
0.1 |
0.808 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
[IOD]C:406 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
11496 |
69.5 |
-0.3 |
0.698 |
0 |
0 |
0 |
0.014 |
41 |
|
[IOD]B:406 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
11382 |
69.4 |
-0.3 |
0.685 |
0 |
0 |
0 |
0.014 |
42 |
|
[IOD]D:406 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
11285 |
68.9 |
-0.3 |
0.709 |
0 |
0 |
0 |
0.014 |
43 |
|
[IOD]C:408 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
11314 |
64.6 |
-0.5 |
0.658 |
0 |
0 |
0 |
0.014 |
Average: |
68.1 |
-0.4 |
0.688 |
0 |
0 |
0 |
0.014 |
22 |
44 |
|
[IOD]D:404 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
11285 |
69.4 |
-0.3 |
0.706 |
0 |
0 |
0 |
0.000 |
45 |
|
[IOD]B:405 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
11382 |
68.1 |
-0.3 |
0.690 |
0 |
0 |
0 |
0.000 |
Average: |
68.7 |
-0.3 |
0.698 |
0 |
0 |
0 |
0.000 |
23 |
46 |
|
[IOD]A:407 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11314 |
69.0 |
-0.5 |
0.651 |
0 |
0 |
0 |
0.018 |
47 |
|
[IOD]B:408 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11382 |
65.1 |
-0.5 |
0.629 |
0 |
0 |
0 |
0.018 |
Average: |
67.1 |
-0.5 |
0.640 |
0 |
0 |
0 |
0.018 |
24 |
48 |
|
[IOD]A:408 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
11382 |
61.2 |
0.4 |
0.868 |
0 |
0 |
0 |
0.021 |
49 |
|
[IOD]D:407 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
11496 |
56.8 |
-0.6 |
0.547 |
0 |
0 |
0 |
0.021 |
50 |
|
[IOD]B:407 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
11314 |
56.3 |
-0.6 |
0.512 |
0 |
0 |
0 |
0.021 |
51 |
|
[IOD]C:407 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
11285 |
55.9 |
-0.6 |
0.512 |
0 |
0 |
0 |
0.021 |
Average: |
57.6 |
-0.3 |
0.610 |
0 |
0 |
0 |
0.021 |
25 |
52 |
|
[IOD]A:405 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11314 |
57.4 |
-0.5 |
0.593 |
0 |
0 |
0 |
0.000 |
26 |
53 |
|
[IOD]B:404 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
11314 |
56.8 |
-0.2 |
0.697 |
0 |
0 |
0 |
0.001 |
54 |
|
[IOD]D:405 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
11496 |
56.8 |
-0.2 |
0.704 |
0 |
0 |
0 |
0.001 |
55 |
|
[IOD]D:405 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
11285 |
56.7 |
-0.5 |
0.614 |
0 |
0 |
0 |
0.001 |
56 |
|
[IOD]B:404 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
11382 |
56.0 |
-0.4 |
0.614 |
0 |
0 |
0 |
0.001 |
Average: |
56.6 |
-0.4 |
0.657 |
0 |
0 |
0 |
0.001 |
27 |
57 |
|
[IOD]D:407 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
11285 |
56.8 |
-0.3 |
0.626 |
0 |
0 |
0 |
0.010 |
58 |
|
[IOD]C:407 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
11496 |
56.3 |
-0.3 |
0.588 |
0 |
0 |
0 |
0.010 |
59 |
|
[IOD]B:407 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
11382 |
56.3 |
-0.3 |
0.599 |
0 |
0 |
0 |
0.010 |
60 |
|
[IOD]A:408 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
11314 |
55.2 |
-0.3 |
0.600 |
0 |
0 |
0 |
0.010 |
Average: |
56.2 |
-0.3 |
0.603 |
0 |
0 |
0 |
0.010 |
28 |
61 |
|
B |
5 |
3 |
11382 |
f |
[IOD]A:405 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
144 |
56.5 |
-0.6 |
0.436 |
0 |
0 |
0 |
0.010 |
29 |
62 |
|
[IOD]B:405 |
1 |
1 |
144 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
9 |
3 |
11314 |
52.1 |
-0.4 |
0.661 |
0 |
0 |
0 |
0.006 |
63 |
|
[IOD]D:404 |
1 |
1 |
144 |
f |
C |
x-1/2,-y-1/2,-z-1 |
4_444 |
8 |
3 |
11496 |
48.4 |
-0.3 |
0.661 |
0 |
0 |
0 |
0.006 |
Average: |
50.2 |
-0.3 |
0.661 |
0 |
0 |
0 |
0.006 |
30 |
64 |
|
[IOD]A:401 |
1 |
1 |
144 |
f |
[GTX]A:301 |
x,y,z |
1_555 |
6 |
1 |
639 |
40.3 |
-0.4 |
0.854 |
0 |
0 |
0 |
0.017 |
65 |
|
[IOD]D:401 |
1 |
1 |
144 |
f |
[GTX]D:301 |
x,y,z |
1_555 |
7 |
1 |
636 |
40.1 |
-0.4 |
0.885 |
0 |
0 |
0 |
0.017 |
66 |
|
[IOD]C:401 |
1 |
1 |
144 |
f |
[GTX]C:301 |
x,y,z |
1_555 |
6 |
1 |
632 |
39.8 |
-0.4 |
0.866 |
0 |
0 |
0 |
0.017 |
67 |
|
[IOD]B:401 |
1 |
1 |
144 |
f |
[GTX]B:301 |
x,y,z |
1_555 |
8 |
1 |
636 |
39.4 |
-0.6 |
0.878 |
0 |
0 |
0 |
0.017 |
Average: |
39.9 |
-0.4 |
0.871 |
0 |
0 |
0 |
0.017 |
31 |
68 |
|
[IOD]D:402 |
1 |
1 |
144 |
f |
[GTX]D:301 |
x,y,z |
1_555 |
5 |
1 |
636 |
37.5 |
-0.8 |
0.746 |
0 |
0 |
0 |
0.028 |
69 |
|
[IOD]B:402 |
1 |
1 |
144 |
f |
[GTX]B:301 |
x,y,z |
1_555 |
4 |
1 |
636 |
37.1 |
-0.9 |
0.664 |
0 |
0 |
0 |
0.028 |
70 |
|
[IOD]C:402 |
1 |
1 |
144 |
f |
[GTX]C:301 |
x,y,z |
1_555 |
5 |
1 |
632 |
35.4 |
-0.7 |
0.792 |
0 |
0 |
0 |
0.028 |
71 |
|
[IOD]A:402 |
1 |
1 |
144 |
f |
[GTX]A:301 |
x,y,z |
1_555 |
6 |
1 |
639 |
34.7 |
-0.7 |
0.816 |
0 |
0 |
0 |
0.028 |
Average: |
36.2 |
-0.8 |
0.755 |
0 |
0 |
0 |
0.028 |
32 |
72 |
|
[IOD]A:407 |
1 |
1 |
144 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
11382 |
29.7 |
0.3 |
0.878 |
0 |
0 |
0 |
0.000 |
33 |
73 |
|
[IOD]C:408 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
11496 |
24.2 |
-0.2 |
0.651 |
0 |
0 |
0 |
0.000 |
34 |
74 |
|
[IOD]D:406 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11314 |
21.8 |
0.2 |
0.878 |
0 |
0 |
0 |
0.000 |
35 |
75 |
|
[GTX]C:301 |
1 |
1 |
632 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
11285 |
19.2 |
-0.0 |
0.666 |
0 |
0 |
0 |
0.002 |
76 |
|
[GTX]A:301 |
1 |
1 |
639 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
11382 |
19.2 |
-0.1 |
0.648 |
0 |
0 |
0 |
0.002 |
77 |
|
[GTX]D:301 |
1 |
1 |
636 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
11496 |
18.9 |
-0.0 |
0.657 |
0 |
0 |
0 |
0.002 |
78 |
|
[GTX]B:301 |
1 |
1 |
636 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11314 |
17.3 |
-0.0 |
0.636 |
0 |
0 |
0 |
0.002 |
Average: |
18.7 |
-0.0 |
0.652 |
0 |
0 |
0 |
0.002 |
36 |
79 |
|
C |
2 |
1 |
11496 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
2 |
1 |
11382 |
14.9 |
-0.5 |
0.295 |
0 |
0 |
0 |
0.000 |
37 |
80 |
|
[IOD]B:409 |
1 |
1 |
144 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
1 |
11285 |
7.5 |
0.1 |
0.843 |
0 |
0 |
0 |
0.000 |
38 |
81 |
|
C |
2 |
1 |
11496 |
◊ |
[IOD]A:406 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
144 |
6.9 |
0.0 |
0.818 |
0 |
0 |
0 |
0.000 |
39 |
82 |
|
[IOD]D:402 |
1 |
1 |
144 |
f |
[IOD]D:401 |
x,y,z |
1_555 |
1 |
1 |
144 |
3.5 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
40 |
83 |
|
A |
1 |
1 |
11314 |
◊ |
[IOD]B:408 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
144 |
3.4 |
0.1 |
0.895 |
0 |
0 |
0 |
0.000 |
41 |
84 |
|
[IOD]B:402 |
1 |
1 |
144 |
f |
[IOD]B:401 |
x,y,z |
1_555 |
1 |
1 |
144 |
3.4 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
42 |
85 |
|
[IOD]A:402 |
1 |
1 |
144 |
f |
[IOD]A:401 |
x,y,z |
1_555 |
1 |
1 |
144 |
3.0 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
43 |
86 |
|
[IOD]C:402 |
1 |
1 |
144 |
f |
[IOD]C:401 |
x,y,z |
1_555 |
1 |
1 |
144 |
2.6 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|