| ## |
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 |
|
C |
101 |
12 |
3955 |
◊ |
A |
x,y,z |
1_555 |
114 |
41 |
18000 |
986.4 |
-11.2 |
0.436 |
21 |
0 |
0 |
0.347 |
| 2 |
2 |
|
T |
81 |
8 |
3134 |
◊ |
B |
x,y,z |
1_555 |
84 |
32 |
18247 |
729.9 |
-6.5 |
0.554 |
17 |
0 |
0 |
0.300 |
| 3 |
3 |
|
B |
78 |
26 |
18247 |
◊ |
A |
x,y,z |
1_555 |
64 |
22 |
18000 |
628.0 |
-2.7 |
0.425 |
3 |
1 |
0 |
0.000 |
| 4 |
4 |
|
D |
48 |
11 |
2601 |
◊ |
C |
x,y,z |
1_555 |
54 |
12 |
3955 |
480.1 |
-10.1 |
0.428 |
26 |
0 |
0 |
1.000 |
| 5 |
5 |
|
D |
55 |
8 |
2601 |
◊ |
A |
x,y,z |
1_555 |
60 |
23 |
18000 |
462.6 |
-9.9 |
0.357 |
13 |
0 |
0 |
0.258 |
| 6 |
6 |
|
P |
48 |
7 |
2430 |
◊ |
B |
x,y,z |
1_555 |
60 |
23 |
18247 |
420.1 |
-11.6 |
0.270 |
7 |
0 |
0 |
0.305 |
| 7 |
7 |
|
P |
38 |
10 |
2430 |
◊ |
T |
x,y,z |
1_555 |
50 |
10 |
3134 |
407.1 |
-5.9 |
0.585 |
11 |
0 |
0 |
0.209 |
| 8 |
8 |
|
A |
39 |
13 |
18000 |
◊ |
B |
x,y,z-1 |
1_554 |
34 |
9 |
18247 |
323.5 |
0.6 |
0.641 |
4 |
3 |
0 |
0.000 |
| 9 |
9 |
|
A |
33 |
9 |
18000 |
x |
A |
x-1,y,z |
1_455 |
33 |
9 |
18000 |
303.8 |
-5.3 |
0.112 |
2 |
0 |
0 |
0.000 |
10 |
|
B |
29 |
10 |
18247 |
x |
B |
x-1,y,z |
1_455 |
34 |
9 |
18247 |
288.5 |
-4.0 |
0.199 |
2 |
0 |
0 |
0.000 |
| Average: |
296.2 |
-4.7 |
0.155 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[DCP]B:401 |
25 |
1 |
560 |
f |
B |
x,y,z |
1_555 |
39 |
19 |
18247 |
263.7 |
-1.5 |
0.471 |
6 |
0 |
0 |
0.089 |
| 11 |
12 |
|
[DCP]A:401 |
26 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
44 |
18 |
18000 |
263.6 |
0.1 |
0.572 |
10 |
0 |
0 |
0.073 |
| 12 |
13 |
|
[EFG]T:5 |
23 |
1 |
491 |
◊ |
B |
x,y,z |
1_555 |
32 |
14 |
18247 |
238.8 |
-0.6 |
0.302 |
4 |
0 |
0 |
0.052 |
| 13 |
14 |
|
[EFG]C:5 |
23 |
1 |
487 |
◊ |
A |
x,y,z |
1_555 |
35 |
14 |
18000 |
225.5 |
-0.1 |
0.331 |
3 |
0 |
0 |
0.024 |
| 14 |
15 |
|
A |
21 |
9 |
18000 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
22 |
6 |
18000 |
206.8 |
1.3 |
0.704 |
4 |
4 |
0 |
0.000 |
| 15 |
16 |
|
C |
23 |
3 |
3955 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
9 |
18000 |
192.2 |
-0.4 |
0.524 |
4 |
0 |
0 |
0.000 |
| 16 |
17 |
|
D |
25 |
3 |
2601 |
◊ |
B |
x-1,y,z-1 |
1_454 |
24 |
7 |
18247 |
184.5 |
-0.9 |
0.635 |
3 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EFG]C:5 |
21 |
1 |
487 |
cf |
C |
x,y,z |
1_555 |
26 |
2 |
3955 |
182.1 |
1.9 |
0.537 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EFG]T:5 |
24 |
1 |
491 |
cf |
T |
x,y,z |
1_555 |
23 |
2 |
3134 |
173.6 |
2.4 |
0.530 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
A |
13 |
4 |
18000 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
4 |
18000 |
153.0 |
-0.0 |
0.487 |
1 |
3 |
0 |
0.000 |
| 20 |
21 |
|
C |
12 |
2 |
3955 |
◊ |
B |
x-1,y,z-1 |
1_454 |
14 |
4 |
18247 |
122.5 |
0.5 |
0.594 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[DOC]P:13 |
15 |
1 |
414 |
cf |
P |
x,y,z |
1_555 |
13 |
1 |
2430 |
109.3 |
1.9 |
0.558 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[DCP]B:401 |
18 |
1 |
560 |
◊ |
[DOC]P:13 |
x,y,z |
1_555 |
13 |
1 |
414 |
109.2 |
2.1 |
0.491 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[DOC]D:13 |
14 |
1 |
418 |
cf |
D |
x,y,z |
1_555 |
12 |
1 |
2601 |
99.7 |
0.9 |
0.436 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[DCP]A:401 |
15 |
1 |
547 |
◊ |
[DOC]D:13 |
x,y,z |
1_555 |
13 |
1 |
418 |
91.3 |
1.7 |
0.432 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
B |
12 |
3 |
18247 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
9 |
3 |
18247 |
85.8 |
0.8 |
0.711 |
1 |
1 |
0 |
0.000 |
| 26 |
27 |
|
[DOC]D:13 |
7 |
1 |
418 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
18000 |
82.8 |
0.3 |
0.430 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[DOC]D:13 |
10 |
1 |
418 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
3955 |
72.4 |
1.0 |
0.448 |
2 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[DOC]P:13 |
7 |
1 |
414 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
18247 |
71.5 |
-0.7 |
0.368 |
1 |
0 |
0 |
0.023 |
| 29 |
30 |
|
[DOC]P:13 |
10 |
1 |
414 |
◊ |
T |
x,y,z |
1_555 |
8 |
2 |
3134 |
60.9 |
1.1 |
0.507 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
B |
7 |
3 |
18247 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
18000 |
58.9 |
2.1 |
0.877 |
1 |
1 |
0 |
0.000 |
| 31 |
32 |
|
[DCP]B:401 |
4 |
1 |
560 |
◊ |
[EFG]T:5 |
x,y,z |
1_555 |
6 |
1 |
491 |
49.0 |
0.8 |
0.492 |
2 |
0 |
0 |
0.003 |
| 32 |
33 |
|
[DCP]A:401 |
4 |
1 |
547 |
◊ |
[EFG]C:5 |
x,y,z |
1_555 |
6 |
1 |
487 |
47.5 |
0.9 |
0.516 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[CA]D:101 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
18000 |
46.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.175 |
35 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
18247 |
40.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.175 |
| Average: |
43.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.175 |
| 34 |
36 |
|
[CA]A:404 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
18000 |
38.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.134 |
| 35 |
37 |
|
[DOC]D:13 |
6 |
1 |
418 |
◊ |
[EFG]C:5 |
x,y,z |
1_555 |
6 |
1 |
487 |
37.9 |
0.9 |
0.391 |
1 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
18000 |
32.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.114 |
39 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
18247 |
31.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.114 |
| Average: |
32.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.114 |
| 37 |
40 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
18247 |
32.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.100 |
41 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
18000 |
31.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
32.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| 38 |
42 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[DCP]A:401 |
x,y,z |
1_555 |
4 |
1 |
547 |
30.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.093 |
43 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[DCP]B:401 |
x,y,z |
1_555 |
3 |
1 |
560 |
29.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.093 |
| Average: |
30.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.093 |
| 39 |
44 |
|
[DOC]P:13 |
5 |
1 |
414 |
◊ |
[EFG]T:5 |
x,y,z |
1_555 |
6 |
1 |
491 |
30.2 |
0.7 |
0.396 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[CA]D:101 |
1 |
1 |
85 |
◊ |
[DOC]D:13 |
x,y,z |
1_555 |
3 |
1 |
418 |
24.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.069 |
46 |
|
[CA]B:403 |
1 |
1 |
85 |
◊ |
[DOC]P:13 |
x,y,z |
1_555 |
2 |
1 |
414 |
22.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.069 |
| Average: |
23.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.069 |
| 41 |
47 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[DCP]A:401 |
x,y,z |
1_555 |
4 |
1 |
547 |
24.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.063 |
48 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[DCP]B:401 |
x,y,z |
1_555 |
4 |
1 |
560 |
23.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
23.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.063 |
| 42 |
49 |
|
[DCP]B:401 |
9 |
1 |
560 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
2430 |
23.1 |
0.7 |
0.629 |
0 |
0 |
0 |
0.000 |
| 43 |
50 |
|
[DCP]B:401 |
5 |
1 |
560 |
◊ |
T |
x,y,z |
1_555 |
5 |
1 |
3134 |
22.1 |
0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
[DCP]A:401 |
4 |
1 |
547 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
3955 |
20.7 |
0.0 |
0.510 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[CA]A:404 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
2601 |
16.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.053 |
| 46 |
53 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[MG]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.055 |
| 47 |
54 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.041 |
| 48 |
55 |
|
[MG]B:404 |
1 |
1 |
98 |
◊ |
[DOC]P:13 |
x,y,z |
1_555 |
2 |
1 |
414 |
11.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.033 |
56 |
|
[MG]A:403 |
1 |
1 |
98 |
◊ |
[DOC]D:13 |
x,y,z |
1_555 |
3 |
1 |
418 |
11.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
11.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.033 |
| 49 |
57 |
|
[DCP]A:401 |
1 |
1 |
547 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2601 |
2.9 |
0.2 |
0.492 |
0 |
0 |
0 |
0.000 |
|