| ## |
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 |
|
D |
214 |
62 |
11690 |
◊ |
C |
x,y,z |
1_555 |
210 |
61 |
11635 |
1941.0 |
-26.8 |
0.110 |
18 |
2 |
1 |
1.000 |
2 |
|
B |
209 |
58 |
11750 |
◊ |
A |
x,y,z |
1_555 |
204 |
58 |
11608 |
1866.9 |
-25.4 |
0.107 |
15 |
2 |
1 |
1.000 |
3 |
|
H |
203 |
56 |
11500 |
◊ |
G |
x,y,z |
1_555 |
178 |
52 |
11800 |
1736.6 |
-26.1 |
0.072 |
18 |
3 |
1 |
1.000 |
4 |
|
F |
199 |
55 |
11564 |
◊ |
E |
x,y,z |
1_555 |
182 |
54 |
11691 |
1714.0 |
-25.6 |
0.073 |
15 |
3 |
1 |
1.000 |
| Average: |
1814.6 |
-26.0 |
0.091 |
17 |
3 |
1 |
1.000 |
| 2 |
5 |
|
B |
124 |
41 |
11750 |
◊ |
H |
x-1,y,z |
1_455 |
125 |
41 |
11500 |
1196.8 |
-4.8 |
0.614 |
10 |
1 |
0 |
0.000 |
6 |
|
F |
117 |
40 |
11564 |
◊ |
D |
x-1,y,z |
1_455 |
119 |
40 |
11690 |
1166.9 |
-6.6 |
0.524 |
11 |
2 |
0 |
0.000 |
| Average: |
1181.9 |
-5.7 |
0.569 |
11 |
2 |
0 |
0.000 |
| 3 |
7 |
|
F |
46 |
13 |
11564 |
◊ |
B |
x,y,z |
1_555 |
48 |
13 |
11750 |
420.9 |
-2.1 |
0.524 |
6 |
2 |
0 |
0.000 |
8 |
|
H |
43 |
12 |
11500 |
◊ |
D |
x,y,z |
1_555 |
45 |
12 |
11690 |
410.6 |
-3.4 |
0.429 |
7 |
2 |
0 |
0.000 |
| Average: |
415.8 |
-2.8 |
0.477 |
7 |
2 |
0 |
0.000 |
| 4 |
9 |
|
G |
38 |
15 |
11800 |
◊ |
A |
x,y,z |
1_555 |
43 |
14 |
11608 |
363.0 |
2.5 |
0.917 |
6 |
2 |
0 |
0.000 |
10 |
|
E |
35 |
15 |
11691 |
◊ |
C |
x,y,z |
1_555 |
28 |
10 |
11635 |
277.6 |
-0.4 |
0.670 |
4 |
0 |
0 |
0.000 |
| Average: |
320.3 |
1.1 |
0.793 |
5 |
1 |
0 |
0.000 |
| 5 |
11 |
|
G |
42 |
12 |
11800 |
x |
G |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
13 |
11800 |
360.3 |
-3.3 |
0.484 |
6 |
0 |
0 |
0.000 |
12 |
|
E |
31 |
9 |
11691 |
x |
E |
-x,y-1/2,-z |
2_545 |
28 |
10 |
11691 |
255.2 |
-2.0 |
0.528 |
2 |
0 |
0 |
0.000 |
| Average: |
307.8 |
-2.6 |
0.506 |
4 |
0 |
0 |
0.000 |
| 6 |
13 |
|
D |
30 |
7 |
11690 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
39 |
10 |
11690 |
276.5 |
-0.8 |
0.612 |
2 |
1 |
0 |
0.000 |
14 |
|
B |
29 |
8 |
11750 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
36 |
9 |
11750 |
252.4 |
-1.3 |
0.553 |
2 |
1 |
0 |
0.000 |
| Average: |
264.4 |
-1.1 |
0.582 |
2 |
1 |
0 |
0.000 |
| 7 |
15 |
|
C |
28 |
7 |
11635 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
29 |
9 |
11690 |
228.6 |
-0.5 |
0.697 |
2 |
0 |
0 |
0.000 |
| 8 |
16 |
|
F |
23 |
6 |
11564 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
23 |
7 |
11691 |
216.2 |
-0.2 |
0.675 |
3 |
2 |
0 |
0.000 |
17 |
|
H |
24 |
7 |
11500 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
8 |
11800 |
208.4 |
-0.1 |
0.687 |
3 |
2 |
0 |
0.000 |
| Average: |
212.3 |
-0.1 |
0.681 |
3 |
2 |
0 |
0.000 |
| 9 |
18 |
|
B |
25 |
7 |
11750 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
23 |
6 |
11608 |
200.8 |
-2.8 |
0.276 |
1 |
0 |
0 |
0.000 |
| 10 |
19 |
|
A |
23 |
6 |
11608 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
24 |
7 |
11750 |
181.5 |
0.3 |
0.746 |
2 |
0 |
0 |
0.000 |
| 11 |
20 |
|
D |
26 |
7 |
11690 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
21 |
6 |
11635 |
179.7 |
-2.2 |
0.326 |
1 |
0 |
0 |
0.000 |
| 12 |
21 |
|
C |
18 |
6 |
11635 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
25 |
7 |
11635 |
175.8 |
-1.4 |
0.566 |
4 |
0 |
0 |
0.000 |
| 13 |
22 |
|
C |
22 |
8 |
11635 |
◊ |
G |
x,y,z-1 |
1_554 |
20 |
7 |
11800 |
165.6 |
-1.4 |
0.537 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
E |
19 |
9 |
11691 |
◊ |
A |
x,y,z-1 |
1_554 |
14 |
5 |
11608 |
112.2 |
-0.5 |
0.658 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
F |
11 |
6 |
11564 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
13 |
5 |
11635 |
112.2 |
-0.8 |
0.508 |
1 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[BGC]C:301 |
9 |
1 |
303 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
11690 |
108.5 |
1.5 |
0.382 |
2 |
0 |
0 |
0.000 |
26 |
|
[BGC]A:301 |
8 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
11750 |
106.6 |
1.1 |
0.365 |
2 |
0 |
0 |
0.000 |
| Average: |
107.6 |
1.3 |
0.374 |
2 |
0 |
0 |
0.000 |
| 17 |
27 |
|
H |
11 |
5 |
11500 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
11608 |
103.6 |
-0.1 |
0.528 |
1 |
0 |
0 |
0.000 |
| 18 |
28 |
|
[BGC]C:301 |
9 |
1 |
303 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
11635 |
98.9 |
1.0 |
0.296 |
2 |
0 |
0 |
0.000 |
| 19 |
29 |
|
[BGC]A:301 |
9 |
1 |
303 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
11608 |
93.6 |
0.8 |
0.268 |
2 |
0 |
0 |
0.004 |
| 20 |
30 |
|
D |
10 |
5 |
11690 |
◊ |
G |
x,y,z-1 |
1_554 |
10 |
3 |
11800 |
92.7 |
-0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
A |
9 |
3 |
11608 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
11 |
4 |
11608 |
82.9 |
-0.7 |
0.550 |
1 |
0 |
0 |
0.000 |
| 22 |
32 |
|
E |
9 |
3 |
11691 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
4 |
11690 |
82.5 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
33 |
|
F |
9 |
3 |
11564 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
11635 |
56.7 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
6 |
4 |
11750 |
◊ |
G |
x-1,y,z |
1_455 |
6 |
3 |
11800 |
25.5 |
0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
1 |
1 |
11608 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
2 |
11500 |
3.1 |
0.0 |
0.670 |
0 |
0 |
0 |
0.000 |
| Average: |
42.0 |
0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
| 23 |
36 |
|
[BGC]C:302 |
6 |
1 |
293 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11635 |
61.5 |
0.6 |
0.288 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
[BGC]C:302 |
5 |
1 |
293 |
cf |
[BGC]C:301 |
x,y,z |
1_555 |
7 |
1 |
303 |
57.8 |
0.9 |
0.112 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
E |
4 |
1 |
11691 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
4 |
11750 |
30.1 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
F |
7 |
3 |
11564 |
◊ |
H |
x-1,y,z |
1_455 |
3 |
2 |
11500 |
28.9 |
1.0 |
0.862 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
4 |
2 |
11750 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
11690 |
21.4 |
0.6 |
0.828 |
0 |
0 |
0 |
0.000 |
| Average: |
25.1 |
0.8 |
0.845 |
0 |
0 |
0 |
0.000 |
| 27 |
41 |
|
D |
3 |
1 |
11690 |
◊ |
[BGC]C:302 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
293 |
23.2 |
0.2 |
0.227 |
0 |
0 |
0 |
0.000 |
| 28 |
42 |
|
[BGC]C:302 |
2 |
1 |
293 |
f |
D |
x,y,z |
1_555 |
4 |
1 |
11690 |
17.4 |
-0.4 |
0.272 |
0 |
0 |
0 |
0.012 |
| 29 |
43 |
|
H |
1 |
1 |
11500 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11635 |
1.8 |
0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
| 30 |
44 |
|
C |
1 |
1 |
11635 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
1 |
1 |
11564 |
1.2 |
0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
|