| ## |
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 |
|
F |
46 |
12 |
2687 |
◊ |
F |
-x,y,-z |
2_555 |
45 |
12 |
2687 |
385.0 |
-0.8 |
0.477 |
4 |
0 |
0 |
0.102 |
2 |
|
E |
41 |
12 |
2659 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
43 |
11 |
2581 |
363.1 |
0.1 |
0.615 |
6 |
0 |
0 |
0.102 |
3 |
|
D |
42 |
13 |
2725 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
38 |
12 |
2735 |
359.2 |
-0.8 |
0.515 |
6 |
0 |
0 |
0.102 |
4 |
|
B |
37 |
13 |
2706 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
36 |
13 |
2706 |
356.6 |
-1.0 |
0.453 |
6 |
0 |
0 |
0.102 |
| Average: |
365.9 |
-0.6 |
0.515 |
6 |
0 |
0 |
0.102 |
| 2 |
5 |
|
C |
35 |
10 |
2735 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
2581 |
343.4 |
-1.1 |
0.426 |
2 |
0 |
0 |
0.093 |
6 |
|
E |
34 |
11 |
2659 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
2706 |
327.1 |
-1.3 |
0.386 |
4 |
0 |
0 |
0.093 |
7 |
|
F |
35 |
11 |
2687 |
◊ |
D |
x,y,z |
1_555 |
35 |
11 |
2725 |
323.3 |
-1.3 |
0.393 |
3 |
0 |
0 |
0.093 |
| Average: |
331.3 |
-1.2 |
0.401 |
3 |
0 |
0 |
0.093 |
| 3 |
8 |
|
B |
28 |
11 |
2706 |
◊ |
A |
x,y,z |
1_555 |
29 |
11 |
2581 |
276.9 |
-2.2 |
0.334 |
6 |
0 |
0 |
0.184 |
9 |
|
E |
29 |
11 |
2659 |
◊ |
D |
x,y,z |
1_555 |
29 |
11 |
2725 |
275.2 |
-2.1 |
0.346 |
6 |
0 |
0 |
0.184 |
10 |
|
F |
30 |
11 |
2687 |
◊ |
C |
x,y,z |
1_555 |
27 |
10 |
2735 |
275.1 |
-2.0 |
0.328 |
6 |
0 |
0 |
0.184 |
| Average: |
275.7 |
-2.1 |
0.336 |
6 |
0 |
0 |
0.184 |
| 4 |
11 |
|
C |
16 |
4 |
2735 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
2706 |
155.7 |
-0.2 |
0.500 |
1 |
0 |
0 |
0.037 |
12 |
|
F |
19 |
6 |
2687 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
2581 |
152.8 |
0.3 |
0.558 |
1 |
0 |
0 |
0.037 |
13 |
|
D |
21 |
6 |
2725 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
2706 |
147.6 |
-0.6 |
0.464 |
1 |
0 |
0 |
0.037 |
14 |
|
D |
17 |
5 |
2725 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
2735 |
147.5 |
-0.6 |
0.467 |
1 |
0 |
0 |
0.037 |
15 |
|
E |
17 |
5 |
2659 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
2581 |
142.8 |
-0.3 |
0.525 |
1 |
0 |
0 |
0.037 |
16 |
|
F |
15 |
4 |
2687 |
◊ |
E |
x,y,z |
1_555 |
19 |
6 |
2659 |
142.3 |
-0.3 |
0.503 |
1 |
0 |
0 |
0.037 |
| Average: |
148.1 |
-0.3 |
0.503 |
1 |
0 |
0 |
0.037 |
| 5 |
17 |
|
[MPD]C:103 |
5 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
2735 |
97.6 |
-6.3 |
0.490 |
1 |
0 |
0 |
0.264 |
| 6 |
18 |
|
[MPD]D:103 |
5 |
1 |
277 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
5 |
2706 |
72.9 |
-2.4 |
0.823 |
0 |
0 |
0 |
0.136 |
| 7 |
19 |
|
[MPD]F:103 |
6 |
1 |
277 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
2687 |
66.3 |
-3.1 |
0.000 |
2 |
0 |
0 |
0.206 |
| 8 |
20 |
|
[MPD]C:103 |
3 |
1 |
279 |
◊ |
F |
x,y,z |
1_555 |
11 |
5 |
2687 |
65.5 |
-4.3 |
0.566 |
0 |
0 |
0 |
0.170 |
| 9 |
21 |
|
[CL]B:102 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
11 |
5 |
2706 |
63.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.660 |
22 |
|
[CL]F:101 |
1 |
1 |
125 |
x |
F |
x,y,z |
1_555 |
11 |
5 |
2687 |
61.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.660 |
23 |
|
[CL]D:101 |
1 |
1 |
125 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
10 |
4 |
2735 |
40.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.660 |
24 |
|
[CL]C:101 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
11 |
5 |
2735 |
40.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.660 |
25 |
|
[CL]E:101 |
1 |
1 |
125 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
10 |
4 |
2581 |
40.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.660 |
26 |
|
[CL]A:102 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
11 |
5 |
2581 |
39.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.660 |
27 |
|
[CL]D:101 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
12 |
5 |
2725 |
39.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.660 |
28 |
|
E |
11 |
4 |
2659 |
x |
[CL]A:102 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
125 |
39.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.660 |
29 |
|
D |
12 |
5 |
2725 |
x |
[CL]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
39.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.660 |
30 |
|
[CL]E:101 |
1 |
1 |
125 |
x |
E |
x,y,z |
1_555 |
11 |
4 |
2659 |
39.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.660 |
| Average: |
44.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.660 |
| 10 |
31 |
|
E |
8 |
3 |
2659 |
◊ |
[MPD]F:103 |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
277 |
60.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.060 |
| 11 |
32 |
|
[CL]F:102 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
15 |
6 |
2687 |
59.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.551 |
33 |
|
[CL]E:102 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
2659 |
52.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.551 |
34 |
|
[CL]B:103 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
2706 |
51.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.551 |
35 |
|
[CL]B:103 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
2659 |
44.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.551 |
| Average: |
52.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.551 |
| 12 |
36 |
|
[CL]A:103 |
1 |
1 |
125 |
f |
[CL]A:103 |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
125 |
58.8 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.417 |
| 13 |
37 |
|
[MPD]D:103 |
3 |
1 |
277 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
2725 |
46.3 |
-1.8 |
0.816 |
1 |
0 |
0 |
0.038 |
| 14 |
38 |
|
[CL]F:102 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
2725 |
45.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.277 |
39 |
|
[CL]E:102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
2706 |
41.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.277 |
| Average: |
43.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.277 |
| 15 |
40 |
|
[CL]D:102 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
2687 |
44.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.290 |
| 16 |
41 |
|
[CL]D:102 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
2725 |
36.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.101 |
| 17 |
42 |
|
[CL]A:103 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
6 |
2 |
2581 |
36.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.583 |
| 18 |
43 |
|
[CL]E:101 |
1 |
1 |
125 |
f |
[CL]A:102 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
125 |
31.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.242 |
| 19 |
44 |
|
[CL]C:102 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
2725 |
30.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.108 |
45 |
|
[CL]C:102 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
2735 |
28.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.108 |
46 |
|
[CL]C:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
2706 |
23.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.108 |
47 |
|
[CL]C:102 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
2687 |
15.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.108 |
48 |
|
[CL]C:102 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
2581 |
14.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.108 |
49 |
|
[CL]C:102 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
2659 |
8.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
20.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.108 |
| 20 |
50 |
|
[CL]D:101 |
1 |
1 |
125 |
f |
[CL]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
30.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.156 |
| 21 |
51 |
|
D |
3 |
1 |
2725 |
x |
D |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
2725 |
29.4 |
0.8 |
0.879 |
0 |
0 |
0 |
0.000 |
52 |
|
B |
1 |
1 |
2706 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
2735 |
27.9 |
0.7 |
0.867 |
0 |
0 |
0 |
0.000 |
| Average: |
28.7 |
0.8 |
0.873 |
0 |
0 |
0 |
0.000 |
| 22 |
53 |
|
[MPD]C:103 |
1 |
1 |
279 |
◊ |
F |
-x,y,-z |
2_555 |
3 |
1 |
2687 |
26.1 |
-1.6 |
0.454 |
0 |
0 |
0 |
0.000 |
| 23 |
54 |
|
[CA]A:101 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
2581 |
25.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.207 |
55 |
|
[CA]A:101 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
5 |
4 |
2659 |
25.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.207 |
56 |
|
[CA]B:101 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
2706 |
25.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.207 |
57 |
|
[CA]B:101 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
2725 |
25.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.207 |
58 |
|
[CA]A:101 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
2687 |
25.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.207 |
59 |
|
[CA]B:101 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
2735 |
25.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.207 |
| Average: |
25.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.207 |
| 24 |
60 |
|
[CL]E:102 |
1 |
1 |
125 |
◊ |
[CL]B:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.132 |
| 25 |
61 |
|
[MPD]C:103 |
4 |
1 |
279 |
◊ |
C |
-x,y,-z |
2_555 |
3 |
1 |
2735 |
15.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.018 |
| 26 |
62 |
|
F |
1 |
1 |
2687 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
2581 |
9.5 |
0.5 |
0.836 |
0 |
0 |
0 |
0.000 |
63 |
|
F |
1 |
1 |
2687 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
2581 |
0.6 |
0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
| Average: |
5.0 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
| 27 |
64 |
|
[MPD]F:103 |
1 |
1 |
277 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2735 |
3.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.008 |
|