| ## |
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 |
|
E |
61 |
10 |
1393 |
◊ |
A |
x,y,z |
1_555 |
89 |
29 |
9244 |
704.4 |
-10.3 |
0.290 |
8 |
4 |
0 |
0.848 |
2 |
|
G |
61 |
10 |
1414 |
◊ |
C |
x,y,z |
1_555 |
82 |
28 |
9242 |
677.3 |
-9.7 |
0.268 |
11 |
3 |
0 |
0.848 |
3 |
|
F |
65 |
10 |
1421 |
◊ |
B |
x,y,z |
1_555 |
83 |
27 |
9311 |
675.6 |
-9.0 |
0.315 |
9 |
5 |
0 |
0.848 |
4 |
|
H |
63 |
10 |
1398 |
◊ |
D |
x,y,z |
1_555 |
79 |
26 |
9062 |
674.4 |
-10.4 |
0.240 |
8 |
3 |
0 |
0.848 |
| Average: |
683.0 |
-9.9 |
0.278 |
9 |
4 |
0 |
0.848 |
| 2 |
5 |
|
B |
65 |
19 |
9311 |
◊ |
A |
x,y,z |
1_555 |
68 |
18 |
9244 |
616.5 |
-4.8 |
0.397 |
10 |
0 |
0 |
0.146 |
6 |
|
D |
59 |
18 |
9062 |
◊ |
C |
x,y,z |
1_555 |
63 |
18 |
9242 |
571.0 |
-5.9 |
0.299 |
8 |
0 |
0 |
0.146 |
| Average: |
593.8 |
-5.3 |
0.348 |
9 |
0 |
0 |
0.146 |
| 3 |
7 |
|
C |
53 |
13 |
9242 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
56 |
15 |
9311 |
521.8 |
-8.7 |
0.109 |
9 |
0 |
0 |
1.000 |
| 4 |
8 |
|
B |
52 |
15 |
9311 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
37 |
6 |
947 |
383.6 |
-0.5 |
0.670 |
9 |
0 |
0 |
0.100 |
| 5 |
9 |
|
D |
36 |
9 |
9062 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
9311 |
323.2 |
-3.3 |
0.322 |
2 |
3 |
0 |
0.088 |
10 |
|
C |
34 |
10 |
9242 |
◊ |
A |
x,y,z |
1_555 |
31 |
9 |
9244 |
289.1 |
-4.0 |
0.244 |
2 |
2 |
0 |
0.088 |
| Average: |
306.1 |
-3.6 |
0.283 |
2 |
3 |
0 |
0.088 |
| 6 |
11 |
|
J |
30 |
6 |
947 |
◊ |
A |
x,y,z |
1_555 |
44 |
13 |
9244 |
319.8 |
-2.0 |
0.556 |
7 |
0 |
0 |
0.100 |
| 7 |
12 |
|
B |
26 |
9 |
9311 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
31 |
13 |
9244 |
251.0 |
1.3 |
0.796 |
5 |
3 |
0 |
0.000 |
| 8 |
13 |
|
E |
15 |
4 |
1393 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
9242 |
150.7 |
-2.1 |
0.424 |
0 |
0 |
0 |
0.102 |
14 |
|
F |
17 |
5 |
1421 |
◊ |
D |
x,y,z |
1_555 |
24 |
7 |
9062 |
147.1 |
-2.3 |
0.462 |
1 |
0 |
0 |
0.102 |
15 |
|
G |
18 |
5 |
1414 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
9244 |
144.3 |
-2.2 |
0.481 |
1 |
0 |
0 |
0.102 |
16 |
|
H |
12 |
4 |
1398 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
9311 |
125.4 |
-2.2 |
0.383 |
1 |
0 |
0 |
0.102 |
| Average: |
141.9 |
-2.2 |
0.438 |
1 |
0 |
0 |
0.102 |
| 9 |
17 |
|
C |
15 |
7 |
9242 |
x |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
15 |
7 |
9242 |
150.4 |
-1.0 |
0.458 |
4 |
0 |
0 |
0.000 |
| 10 |
18 |
|
[DUG]H:1 |
11 |
1 |
348 |
◊ |
D |
x,y,z |
1_555 |
20 |
10 |
9062 |
139.8 |
-4.0 |
0.535 |
0 |
0 |
0 |
0.218 |
| 11 |
19 |
|
[DUG]F:1 |
12 |
1 |
345 |
◊ |
B |
x,y,z |
1_555 |
14 |
9 |
9311 |
138.4 |
-6.0 |
0.593 |
1 |
0 |
0 |
0.318 |
| 12 |
20 |
|
[DUG]E:1 |
12 |
1 |
346 |
◊ |
A |
x,y,z |
1_555 |
16 |
10 |
9244 |
133.2 |
-6.1 |
0.349 |
0 |
0 |
0 |
0.300 |
| 13 |
21 |
|
[DUG]G:1 |
12 |
1 |
348 |
◊ |
C |
x,y,z |
1_555 |
16 |
10 |
9242 |
120.8 |
-2.0 |
0.684 |
1 |
0 |
0 |
0.137 |
| 14 |
22 |
|
[DUG]G:1 |
11 |
1 |
348 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
1393 |
119.2 |
-4.1 |
0.696 |
1 |
0 |
0 |
0.575 |
| 15 |
23 |
|
[DUG]E:1 |
11 |
1 |
346 |
◊ |
G |
x,y,z |
1_555 |
14 |
4 |
1414 |
110.3 |
-3.6 |
0.693 |
0 |
0 |
0 |
0.460 |
| 16 |
24 |
|
[DUG]H:1 |
12 |
1 |
348 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
1421 |
106.2 |
-2.9 |
0.722 |
0 |
0 |
0 |
0.054 |
| 17 |
25 |
|
[DUG]F:1 |
11 |
1 |
345 |
◊ |
H |
x,y,z |
1_555 |
14 |
5 |
1398 |
106.0 |
-1.6 |
0.791 |
0 |
0 |
0 |
0.030 |
| 18 |
26 |
|
C |
10 |
4 |
9242 |
◊ |
F |
-x-1/2,-y+1,z-1/2 |
2_464 |
10 |
3 |
1421 |
81.4 |
-0.0 |
0.726 |
1 |
0 |
0 |
0.020 |
27 |
|
G |
10 |
3 |
1414 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
8 |
3 |
9311 |
71.9 |
-0.2 |
0.712 |
1 |
0 |
0 |
0.020 |
| Average: |
76.7 |
-0.1 |
0.719 |
1 |
0 |
0 |
0.020 |
| 19 |
28 |
|
E |
7 |
1 |
1393 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
9311 |
71.7 |
1.3 |
0.857 |
0 |
0 |
0 |
0.000 |
29 |
|
H |
7 |
1 |
1398 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
9242 |
71.1 |
1.6 |
0.868 |
1 |
0 |
0 |
0.000 |
30 |
|
F |
7 |
1 |
1421 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
9244 |
69.4 |
1.3 |
0.839 |
0 |
0 |
0 |
0.000 |
31 |
|
G |
7 |
1 |
1414 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
9062 |
47.6 |
0.6 |
0.803 |
0 |
0 |
0 |
0.000 |
| Average: |
64.9 |
1.2 |
0.842 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
A |
11 |
4 |
9244 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
8 |
2 |
9311 |
70.0 |
-1.0 |
0.408 |
0 |
0 |
0 |
0.014 |
33 |
|
C |
8 |
3 |
9242 |
◊ |
D |
-x-1/2,-y+1,z-1/2 |
2_464 |
10 |
4 |
9062 |
68.8 |
-0.8 |
0.444 |
0 |
0 |
0 |
0.014 |
| Average: |
69.4 |
-0.9 |
0.426 |
0 |
0 |
0 |
0.014 |
| 21 |
34 |
|
[DUG]G:1 |
4 |
1 |
348 |
cf |
G |
x,y,z |
1_555 |
5 |
1 |
1414 |
56.3 |
-0.3 |
0.805 |
0 |
0 |
0 |
0.100 |
| 22 |
35 |
|
[DUG]F:1 |
4 |
1 |
345 |
cf |
F |
x,y,z |
1_555 |
6 |
1 |
1421 |
52.8 |
-0.1 |
0.817 |
0 |
0 |
0 |
0.100 |
| 23 |
36 |
|
[DUG]H:1 |
4 |
1 |
348 |
cf |
H |
x,y,z |
1_555 |
5 |
1 |
1398 |
52.0 |
0.0 |
0.810 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
[DUG]E:1 |
4 |
1 |
346 |
cf |
E |
x,y,z |
1_555 |
5 |
1 |
1393 |
47.4 |
0.1 |
0.824 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[DUG]G:1 |
2 |
1 |
348 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9244 |
26.0 |
-1.6 |
0.383 |
0 |
0 |
0 |
0.026 |
| 26 |
39 |
|
[DUG]E:1 |
2 |
1 |
346 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
2 |
1 |
9311 |
24.1 |
-0.0 |
0.464 |
1 |
0 |
0 |
0.004 |
| 27 |
40 |
|
C |
3 |
1 |
9242 |
◊ |
[DUG]H:1 |
-x-1/2,-y+1,z-1/2 |
2_464 |
2 |
1 |
348 |
23.2 |
-1.1 |
0.382 |
0 |
0 |
0 |
0.009 |
| 28 |
41 |
|
G |
4 |
2 |
1414 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
1393 |
22.2 |
0.4 |
0.812 |
0 |
0 |
0 |
0.000 |
42 |
|
H |
3 |
2 |
1398 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
1421 |
19.2 |
0.4 |
0.820 |
0 |
0 |
0 |
0.000 |
| Average: |
20.7 |
0.4 |
0.816 |
0 |
0 |
0 |
0.000 |
| 29 |
43 |
|
[DUG]E:1 |
3 |
1 |
346 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
9242 |
21.7 |
-1.9 |
0.399 |
0 |
0 |
0 |
0.032 |
| 30 |
44 |
|
C |
3 |
1 |
9242 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9311 |
21.2 |
-0.7 |
0.245 |
0 |
0 |
0 |
0.008 |
45 |
|
D |
2 |
1 |
9062 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9244 |
9.9 |
-0.3 |
0.350 |
0 |
0 |
0 |
0.008 |
| Average: |
15.6 |
-0.5 |
0.298 |
0 |
0 |
0 |
0.008 |
| 31 |
46 |
|
[DUG]H:1 |
2 |
1 |
348 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
9311 |
14.0 |
-0.3 |
0.739 |
0 |
0 |
0 |
0.006 |
| 32 |
47 |
|
[DUG]F:1 |
3 |
1 |
345 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
9062 |
7.9 |
0.3 |
0.853 |
0 |
0 |
0 |
0.000 |
| 33 |
48 |
|
A |
4 |
2 |
9244 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
1 |
9242 |
5.0 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
|