| ## |
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 |
|
[5BU]B:6 |
21 |
1 |
448 |
cf |
B |
x,y,z |
1_555 |
27 |
2 |
1807 |
205.6 |
0.7 |
0.790 |
0 |
0 |
0 |
0.000 |
2 |
|
[5BU]A:6 |
21 |
1 |
450 |
cf |
A |
x,y,z |
1_555 |
27 |
2 |
1777 |
194.2 |
0.9 |
0.809 |
0 |
0 |
0 |
0.000 |
| Average: |
199.9 |
0.8 |
0.799 |
0 |
0 |
0 |
0.000 |
| 2 |
3 |
|
[F6U]D:106 |
16 |
1 |
534 |
cf |
[F73]D:105 |
x,y,z |
1_555 |
18 |
1 |
546 |
140.2 |
3.1 |
0.612 |
0 |
0 |
0 |
0.000 |
4 |
|
[F6U]C:106 |
16 |
1 |
535 |
cf |
[F73]C:105 |
x,y,z |
1_555 |
17 |
1 |
547 |
139.2 |
2.7 |
0.601 |
0 |
0 |
0 |
0.000 |
5 |
|
[F6U]C:103 |
16 |
1 |
529 |
cf |
[F73]C:102 |
x,y,z |
1_555 |
18 |
1 |
544 |
138.5 |
3.0 |
0.610 |
0 |
0 |
0 |
0.000 |
6 |
|
[F6U]D:103 |
16 |
1 |
535 |
cf |
[F73]D:102 |
x,y,z |
1_555 |
17 |
1 |
544 |
137.2 |
2.8 |
0.591 |
0 |
0 |
0 |
0.000 |
| Average: |
138.8 |
2.9 |
0.604 |
0 |
0 |
0 |
0.000 |
| 3 |
7 |
|
[F73]D:102 |
17 |
1 |
544 |
cf |
[F6X]D:101 |
x,y,z |
1_555 |
14 |
1 |
499 |
139.4 |
3.2 |
0.684 |
0 |
0 |
0 |
0.000 |
8 |
|
[F73]C:105 |
17 |
1 |
547 |
cf |
[F6X]C:104 |
x,y,z |
1_555 |
14 |
1 |
498 |
137.5 |
2.6 |
0.650 |
0 |
0 |
0 |
0.000 |
9 |
|
[F73]C:102 |
17 |
1 |
544 |
cf |
[F6X]C:101 |
x,y,z |
1_555 |
14 |
1 |
497 |
136.1 |
2.7 |
0.643 |
0 |
0 |
0 |
0.000 |
10 |
|
[F73]D:105 |
17 |
1 |
546 |
cf |
[F6X]D:104 |
x,y,z |
1_555 |
15 |
1 |
505 |
135.9 |
2.5 |
0.655 |
0 |
0 |
0 |
0.000 |
| Average: |
137.2 |
2.8 |
0.658 |
0 |
0 |
0 |
0.000 |
| 4 |
11 |
|
[GT3]C:108 |
16 |
1 |
488 |
cf |
[F6X]C:107 |
x,y,z |
1_555 |
15 |
1 |
500 |
136.6 |
2.8 |
0.506 |
0 |
0 |
0 |
0.000 |
12 |
|
[GT3]D:108 |
17 |
1 |
488 |
cf |
[F6X]D:107 |
x,y,z |
1_555 |
15 |
1 |
503 |
129.4 |
2.6 |
0.523 |
0 |
0 |
0 |
0.000 |
| Average: |
133.0 |
2.7 |
0.514 |
0 |
0 |
0 |
0.000 |
| 5 |
13 |
|
[F6U]D:103 |
14 |
1 |
535 |
cf |
[F6X]D:104 |
x,y,z |
1_555 |
14 |
1 |
505 |
126.6 |
1.9 |
0.590 |
0 |
0 |
0 |
0.000 |
14 |
|
[F6U]C:106 |
15 |
1 |
535 |
cf |
[F6X]C:107 |
x,y,z |
1_555 |
14 |
1 |
500 |
125.5 |
2.1 |
0.580 |
0 |
0 |
0 |
0.000 |
15 |
|
[F6U]C:103 |
14 |
1 |
529 |
cf |
[F6X]C:104 |
x,y,z |
1_555 |
14 |
1 |
498 |
124.5 |
2.2 |
0.594 |
0 |
0 |
0 |
0.000 |
16 |
|
[F6U]D:106 |
16 |
1 |
534 |
cf |
[F6X]D:107 |
x,y,z |
1_555 |
14 |
1 |
503 |
121.0 |
2.1 |
0.592 |
0 |
0 |
0 |
0.000 |
| Average: |
124.4 |
2.1 |
0.589 |
0 |
0 |
0 |
0.000 |
| 6 |
17 |
|
B |
16 |
1 |
1807 |
◊ |
A |
x,y,z |
1_555 |
15 |
1 |
1777 |
115.6 |
0.6 |
0.815 |
0 |
0 |
0 |
0.000 |
| 7 |
18 |
|
[F6U]D:103 |
11 |
1 |
535 |
◊ |
B |
x,y,z |
1_555 |
14 |
2 |
1807 |
101.1 |
0.8 |
0.655 |
1 |
0 |
0 |
0.000 |
19 |
|
[F6U]C:103 |
10 |
1 |
529 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
1777 |
97.2 |
1.0 |
0.682 |
1 |
0 |
0 |
0.000 |
| Average: |
99.1 |
0.9 |
0.669 |
1 |
0 |
0 |
0.000 |
| 8 |
20 |
|
[GT3]D:108 |
12 |
1 |
488 |
f |
[5BU]A:6 |
x,y,z |
1_555 |
13 |
1 |
450 |
93.7 |
0.6 |
0.499 |
0 |
0 |
0 |
0.000 |
21 |
|
[GT3]C:108 |
11 |
1 |
488 |
f |
[5BU]B:6 |
x,y,z |
1_555 |
12 |
1 |
448 |
82.3 |
0.8 |
0.494 |
0 |
0 |
0 |
0.000 |
| Average: |
88.0 |
0.7 |
0.496 |
0 |
0 |
0 |
0.000 |
| 9 |
22 |
|
A |
14 |
1 |
1777 |
◊ |
B |
x-1/2,y-1/2,z+1/2 |
3_445 |
15 |
1 |
1807 |
93.1 |
2.1 |
0.871 |
0 |
0 |
0 |
0.000 |
| 10 |
23 |
|
[F73]C:102 |
8 |
1 |
544 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
1777 |
88.4 |
0.2 |
0.647 |
3 |
0 |
0 |
0.000 |
24 |
|
[F73]D:102 |
9 |
1 |
544 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
1807 |
87.9 |
0.6 |
0.675 |
3 |
0 |
0 |
0.000 |
| Average: |
88.1 |
0.4 |
0.661 |
3 |
0 |
0 |
0.000 |
| 11 |
25 |
|
[F6X]C:101 |
9 |
1 |
497 |
◊ |
[F6X]D:101 |
x-1/2,y-1/2,z+1/2 |
3_445 |
8 |
1 |
499 |
85.8 |
1.0 |
0.566 |
1 |
0 |
0 |
0.000 |
| 12 |
26 |
|
A |
6 |
2 |
1777 |
◊ |
B |
-x,y-1,-z |
2_545 |
9 |
3 |
1807 |
74.0 |
-2.6 |
0.461 |
0 |
0 |
0 |
0.000 |
| 13 |
27 |
|
[F6U]D:106 |
10 |
1 |
534 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
1807 |
70.7 |
1.5 |
0.680 |
0 |
0 |
0 |
0.000 |
| 14 |
28 |
|
[F6U]C:106 |
11 |
1 |
535 |
◊ |
A |
x,y,z |
1_555 |
11 |
1 |
1777 |
70.2 |
1.5 |
0.674 |
0 |
0 |
0 |
0.000 |
| 15 |
29 |
|
[F6X]D:104 |
5 |
1 |
505 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
1807 |
68.6 |
0.4 |
0.660 |
2 |
0 |
0 |
0.000 |
30 |
|
[F6X]C:104 |
6 |
1 |
498 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
1777 |
66.0 |
0.3 |
0.626 |
2 |
0 |
0 |
0.000 |
| Average: |
67.3 |
0.3 |
0.643 |
2 |
0 |
0 |
0.000 |
| 16 |
31 |
|
[F6X]D:101 |
6 |
1 |
499 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
1807 |
68.1 |
0.0 |
0.609 |
3 |
0 |
0 |
0.000 |
32 |
|
[F6X]C:101 |
6 |
1 |
497 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
1777 |
61.4 |
-0.1 |
0.585 |
2 |
0 |
0 |
0.000 |
| Average: |
64.7 |
-0.0 |
0.597 |
3 |
0 |
0 |
0.000 |
| 17 |
33 |
|
[F73]C:102 |
5 |
1 |
544 |
◊ |
[F6X]D:101 |
x-1/2,y-1/2,z+1/2 |
3_445 |
8 |
1 |
499 |
65.1 |
-1.6 |
0.354 |
0 |
0 |
0 |
0.000 |
34 |
|
[F6X]C:101 |
6 |
1 |
497 |
◊ |
[F73]D:102 |
x-1/2,y-1/2,z+1/2 |
3_445 |
7 |
1 |
544 |
50.4 |
-0.9 |
0.389 |
0 |
0 |
0 |
0.000 |
| Average: |
57.8 |
-1.3 |
0.371 |
0 |
0 |
0 |
0.000 |
| 18 |
35 |
|
[F73]D:105 |
9 |
1 |
546 |
◊ |
[5BU]B:6 |
x,y,z |
1_555 |
11 |
1 |
448 |
62.8 |
1.8 |
0.675 |
0 |
0 |
0 |
0.000 |
36 |
|
[F73]C:105 |
9 |
1 |
547 |
◊ |
[5BU]A:6 |
x,y,z |
1_555 |
10 |
1 |
450 |
60.5 |
1.8 |
0.682 |
0 |
0 |
0 |
0.000 |
| Average: |
61.7 |
1.8 |
0.678 |
0 |
0 |
0 |
0.000 |
| 19 |
37 |
|
[GT3]D:108 |
6 |
1 |
488 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
1777 |
60.0 |
-1.5 |
0.417 |
1 |
0 |
0 |
0.000 |
38 |
|
[GT3]C:108 |
4 |
1 |
488 |
f |
B |
x,y,z |
1_555 |
6 |
1 |
1807 |
56.7 |
-1.4 |
0.387 |
1 |
0 |
0 |
0.000 |
| Average: |
58.4 |
-1.5 |
0.402 |
1 |
0 |
0 |
0.000 |
| 20 |
39 |
|
[F73]D:105 |
6 |
1 |
546 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
1807 |
59.3 |
-0.1 |
0.587 |
3 |
0 |
0 |
0.000 |
40 |
|
[F73]C:105 |
6 |
1 |
547 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
1777 |
56.4 |
-0.0 |
0.579 |
3 |
0 |
0 |
0.000 |
| Average: |
57.8 |
-0.0 |
0.583 |
3 |
0 |
0 |
0.000 |
| 21 |
41 |
|
[F6X]D:107 |
9 |
1 |
503 |
f |
A |
x,y,z |
1_555 |
8 |
1 |
1777 |
58.4 |
-0.9 |
0.519 |
0 |
0 |
0 |
0.000 |
42 |
|
[F6X]C:107 |
9 |
1 |
500 |
f |
B |
x,y,z |
1_555 |
7 |
1 |
1807 |
57.7 |
-0.6 |
0.526 |
0 |
0 |
0 |
0.000 |
| Average: |
58.0 |
-0.7 |
0.523 |
0 |
0 |
0 |
0.000 |
| 22 |
43 |
|
[F6X]C:107 |
4 |
1 |
500 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
1777 |
53.4 |
-0.2 |
0.547 |
2 |
0 |
0 |
0.000 |
| 23 |
44 |
|
[5BU]A:6 |
5 |
1 |
450 |
◊ |
B |
-x,y-1,-z |
2_545 |
10 |
3 |
1807 |
53.1 |
-0.5 |
0.607 |
0 |
0 |
0 |
0.000 |
| 24 |
45 |
|
[F73]C:102 |
6 |
1 |
544 |
◊ |
[F73]D:102 |
x-1/2,y-1/2,z+1/2 |
3_445 |
6 |
1 |
544 |
52.8 |
-1.7 |
0.316 |
0 |
0 |
0 |
0.000 |
| 25 |
46 |
|
[F6U]D:106 |
3 |
1 |
534 |
◊ |
[5BU]B:6 |
x,y,z |
1_555 |
5 |
1 |
448 |
52.6 |
1.0 |
0.630 |
1 |
0 |
0 |
0.000 |
47 |
|
[F6U]C:106 |
4 |
1 |
535 |
◊ |
[5BU]A:6 |
x,y,z |
1_555 |
5 |
1 |
450 |
50.2 |
1.0 |
0.624 |
1 |
0 |
0 |
0.000 |
| Average: |
51.4 |
1.0 |
0.627 |
1 |
0 |
0 |
0.000 |
| 26 |
48 |
|
[F6X]D:107 |
4 |
1 |
503 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
1807 |
50.5 |
-0.3 |
0.539 |
2 |
0 |
0 |
0.000 |
| 27 |
49 |
|
[F6X]C:101 |
6 |
1 |
497 |
◊ |
B |
x-1/2,y-1/2,z+1/2 |
3_445 |
6 |
1 |
1807 |
48.4 |
-0.2 |
0.553 |
1 |
0 |
0 |
0.000 |
| 28 |
50 |
|
[F6X]D:107 |
6 |
1 |
503 |
◊ |
[F6X]D:107 |
-x,y,-z |
2_555 |
6 |
1 |
503 |
46.9 |
-0.9 |
0.404 |
0 |
0 |
0 |
0.000 |
| 29 |
51 |
|
[F6U]C:103 |
5 |
1 |
529 |
◊ |
[F6X]D:101 |
x-1/2,y-1/2,z+1/2 |
3_445 |
3 |
1 |
499 |
41.9 |
-1.9 |
0.274 |
0 |
0 |
0 |
0.000 |
| 30 |
52 |
|
[GT3]C:108 |
3 |
1 |
488 |
◊ |
B |
-x,y,-z |
2_555 |
7 |
2 |
1807 |
41.6 |
-1.8 |
0.285 |
0 |
0 |
0 |
0.000 |
| 31 |
53 |
|
[GT3]D:108 |
6 |
1 |
488 |
◊ |
[F6U]D:106 |
-x,y,-z |
2_555 |
4 |
1 |
534 |
41.3 |
-1.3 |
0.245 |
0 |
0 |
0 |
0.000 |
| 32 |
54 |
|
[F6U]D:106 |
3 |
1 |
534 |
◊ |
[F6X]D:107 |
-x,y,-z |
2_555 |
3 |
1 |
503 |
36.9 |
-1.6 |
0.275 |
0 |
0 |
0 |
0.000 |
| 33 |
55 |
|
[GT3]D:108 |
6 |
1 |
488 |
◊ |
[F6U]C:106 |
x,y,z |
1_555 |
6 |
1 |
535 |
36.1 |
1.2 |
0.496 |
1 |
0 |
0 |
0.000 |
56 |
|
[GT3]C:108 |
6 |
1 |
488 |
◊ |
[F6U]D:106 |
x,y,z |
1_555 |
6 |
1 |
534 |
34.0 |
1.1 |
0.469 |
1 |
0 |
0 |
0.000 |
| Average: |
35.1 |
1.1 |
0.483 |
1 |
0 |
0 |
0.000 |
| 34 |
57 |
|
[GT3]D:108 |
2 |
1 |
488 |
◊ |
[F6X]C:107 |
x,y,z |
1_555 |
1 |
1 |
500 |
27.2 |
0.3 |
0.474 |
1 |
0 |
0 |
0.000 |
58 |
|
[GT3]C:108 |
2 |
1 |
488 |
◊ |
[F6X]D:107 |
x,y,z |
1_555 |
1 |
1 |
503 |
25.9 |
0.3 |
0.470 |
1 |
0 |
0 |
0.000 |
| Average: |
26.6 |
0.3 |
0.472 |
1 |
0 |
0 |
0.000 |
| 35 |
59 |
|
[GT3]D:108 |
7 |
1 |
488 |
◊ |
[F73]D:105 |
-x,y,-z |
2_555 |
3 |
1 |
546 |
25.5 |
-0.6 |
0.315 |
0 |
0 |
0 |
0.000 |
| 36 |
60 |
|
[F6X]D:107 |
4 |
1 |
503 |
◊ |
[F6X]C:107 |
x,y,z |
1_555 |
4 |
1 |
500 |
23.0 |
0.2 |
0.501 |
0 |
0 |
0 |
0.000 |
| 37 |
61 |
|
[F6X]D:107 |
3 |
1 |
503 |
◊ |
B |
-x,y-1,-z |
2_545 |
3 |
2 |
1807 |
21.5 |
-2.0 |
0.304 |
0 |
0 |
0 |
0.000 |
| 38 |
62 |
|
A |
1 |
1 |
1777 |
◊ |
A |
-x,y,-z+1 |
2_556 |
1 |
1 |
1777 |
20.9 |
-2.2 |
0.191 |
0 |
0 |
0 |
0.000 |
| 39 |
63 |
|
[F6X]C:107 |
2 |
1 |
500 |
◊ |
B |
-x,y,-z |
2_555 |
5 |
2 |
1807 |
18.5 |
-0.6 |
0.399 |
0 |
0 |
0 |
0.000 |
| 40 |
64 |
|
[GT3]D:108 |
3 |
1 |
488 |
◊ |
B |
-x,y-1,-z |
2_545 |
4 |
2 |
1807 |
17.2 |
0.1 |
0.462 |
0 |
0 |
0 |
0.000 |
| 41 |
65 |
|
[F6X]D:107 |
2 |
1 |
503 |
f |
[5BU]A:6 |
x,y,z |
1_555 |
3 |
1 |
450 |
16.4 |
-1.5 |
0.297 |
0 |
0 |
0 |
0.000 |
66 |
|
[F6X]C:107 |
1 |
1 |
500 |
f |
[5BU]B:6 |
x,y,z |
1_555 |
1 |
1 |
448 |
0.2 |
-0.0 |
0.426 |
0 |
0 |
0 |
0.000 |
| Average: |
8.3 |
-0.8 |
0.361 |
0 |
0 |
0 |
0.000 |
| 42 |
67 |
|
[GT3]D:108 |
3 |
1 |
488 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
1807 |
15.7 |
0.2 |
0.513 |
0 |
0 |
0 |
0.000 |
68 |
|
[GT3]C:108 |
4 |
1 |
488 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
1777 |
15.3 |
0.1 |
0.493 |
0 |
0 |
0 |
0.000 |
| Average: |
15.5 |
0.2 |
0.503 |
0 |
0 |
0 |
0.000 |
| 43 |
69 |
|
[F6X]C:104 |
1 |
1 |
498 |
◊ |
[F6X]D:101 |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
3 |
1 |
499 |
13.4 |
-1.4 |
0.242 |
0 |
0 |
0 |
0.000 |
| 44 |
70 |
|
[F6U]C:103 |
2 |
1 |
529 |
◊ |
[F73]D:102 |
x-1/2,y-1/2,z+1/2 |
3_445 |
3 |
1 |
544 |
9.2 |
-0.0 |
0.390 |
0 |
0 |
0 |
0.000 |
| 45 |
71 |
|
[F6U]C:103 |
3 |
1 |
529 |
◊ |
[F6U]C:103 |
-x-1,y,-z |
2_455 |
3 |
1 |
529 |
8.8 |
-0.7 |
0.352 |
0 |
0 |
0 |
0.000 |
| 46 |
72 |
|
[F6X]C:104 |
1 |
1 |
498 |
◊ |
[F6X]C:104 |
-x-1,y,-z |
2_455 |
1 |
1 |
498 |
8.8 |
-0.9 |
0.238 |
0 |
0 |
0 |
0.000 |
| 47 |
73 |
|
[F6X]C:101 |
2 |
1 |
497 |
◊ |
[F73]C:105 |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
1 |
1 |
547 |
8.2 |
0.1 |
0.406 |
0 |
0 |
0 |
0.000 |
| 48 |
74 |
|
A |
2 |
1 |
1777 |
◊ |
[F6X]D:101 |
x-1/2,y-1/2,z+1/2 |
3_445 |
2 |
1 |
499 |
7.0 |
0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
| 49 |
75 |
|
[F6U]D:106 |
1 |
1 |
534 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
1777 |
5.4 |
-0.6 |
0.299 |
0 |
0 |
0 |
0.000 |
| 50 |
76 |
|
[GT3]D:108 |
1 |
1 |
488 |
◊ |
[GT3]C:108 |
x,y,z |
1_555 |
1 |
1 |
488 |
5.1 |
0.1 |
0.365 |
0 |
0 |
0 |
0.000 |
| 51 |
77 |
|
[GT3]C:108 |
2 |
1 |
488 |
◊ |
[F6U]D:103 |
-x,y,-z |
2_555 |
1 |
1 |
535 |
4.8 |
0.2 |
0.435 |
0 |
0 |
0 |
0.000 |
| 52 |
78 |
|
[GT3]C:108 |
2 |
1 |
488 |
◊ |
[F6X]D:104 |
-x,y,-z |
2_555 |
1 |
1 |
505 |
4.5 |
0.0 |
0.373 |
0 |
0 |
0 |
0.000 |
| 53 |
79 |
|
A |
1 |
1 |
1777 |
◊ |
[F6X]D:101 |
-x,y-1,-z |
2_545 |
1 |
1 |
499 |
4.5 |
0.2 |
0.488 |
0 |
0 |
0 |
0.000 |
| 54 |
80 |
|
[F6X]C:101 |
2 |
1 |
497 |
◊ |
[F6U]D:103 |
x-1/2,y-1/2,z+1/2 |
3_445 |
2 |
1 |
535 |
3.7 |
-0.3 |
0.364 |
0 |
0 |
0 |
0.000 |
| 55 |
81 |
|
[F6U]D:106 |
1 |
1 |
534 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
1807 |
0.9 |
-0.1 |
0.348 |
0 |
0 |
0 |
0.000 |
| 56 |
82 |
|
[F73]D:105 |
1 |
1 |
546 |
◊ |
[5BU]B:6 |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
1 |
1 |
448 |
0.4 |
-0.0 |
0.398 |
0 |
0 |
0 |
0.000 |
|