## |
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 |
258 |
57 |
12861 |
◊ |
C |
x,y,z |
1_555 |
259 |
59 |
12826 |
2586.3 |
-41.1 |
0.009 |
22 |
2 |
0 |
0.366 |
2 |
|
B |
264 |
58 |
12819 |
◊ |
A |
x,y,z |
1_555 |
261 |
58 |
12717 |
2559.7 |
-40.8 |
0.012 |
23 |
2 |
0 |
0.366 |
Average: |
2573.0 |
-41.0 |
0.010 |
23 |
2 |
0 |
0.366 |
2 |
3 |
|
C |
53 |
12 |
12826 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
49 |
14 |
12717 |
456.3 |
-2.6 |
0.609 |
2 |
0 |
0 |
0.000 |
4 |
|
D |
49 |
13 |
12861 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
50 |
13 |
12819 |
421.8 |
-3.1 |
0.569 |
2 |
0 |
0 |
0.000 |
Average: |
439.1 |
-2.9 |
0.589 |
2 |
0 |
0 |
0.000 |
3 |
5 |
|
B |
40 |
14 |
12819 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
34 |
11 |
12826 |
344.7 |
-4.1 |
0.346 |
2 |
0 |
0 |
0.000 |
6 |
|
C |
34 |
12 |
12826 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
12717 |
258.7 |
-3.6 |
0.338 |
1 |
0 |
0 |
0.000 |
7 |
|
D |
31 |
11 |
12861 |
◊ |
B |
x-1,y,z |
1_455 |
23 |
8 |
12819 |
244.0 |
-2.6 |
0.425 |
2 |
0 |
0 |
0.000 |
8 |
|
A |
30 |
12 |
12717 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
22 |
7 |
12861 |
239.5 |
-2.5 |
0.398 |
1 |
0 |
0 |
0.000 |
Average: |
271.7 |
-3.2 |
0.377 |
2 |
0 |
0 |
0.000 |
4 |
9 |
|
[AMP]B:3001 |
22 |
1 |
486 |
f |
B |
x,y,z |
1_555 |
59 |
20 |
12819 |
314.9 |
-2.0 |
0.647 |
3 |
0 |
0 |
0.048 |
10 |
|
[AMP]C:3001 |
22 |
1 |
483 |
f |
C |
x,y,z |
1_555 |
56 |
19 |
12826 |
314.5 |
-2.0 |
0.640 |
3 |
0 |
0 |
0.048 |
11 |
|
[AMP]A:3001 |
22 |
1 |
484 |
f |
A |
x,y,z |
1_555 |
57 |
19 |
12717 |
314.4 |
-2.0 |
0.650 |
3 |
0 |
0 |
0.048 |
12 |
|
[AMP]D:3001 |
23 |
1 |
486 |
f |
D |
x,y,z |
1_555 |
57 |
19 |
12861 |
311.2 |
-2.1 |
0.640 |
2 |
0 |
0 |
0.048 |
Average: |
313.8 |
-2.0 |
0.644 |
3 |
0 |
0 |
0.048 |
5 |
13 |
|
D |
35 |
9 |
12861 |
◊ |
A |
x,y,z |
1_555 |
31 |
11 |
12717 |
300.4 |
-1.0 |
0.648 |
3 |
0 |
0 |
0.000 |
14 |
|
A |
34 |
8 |
12717 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
34 |
12 |
12826 |
299.3 |
-2.7 |
0.421 |
3 |
2 |
0 |
0.000 |
15 |
|
B |
20 |
6 |
12819 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
26 |
11 |
12861 |
202.8 |
-1.7 |
0.514 |
2 |
0 |
0 |
0.000 |
16 |
|
C |
16 |
5 |
12826 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
8 |
12819 |
170.6 |
-1.3 |
0.517 |
1 |
0 |
0 |
0.000 |
Average: |
243.3 |
-1.7 |
0.525 |
2 |
1 |
0 |
0.000 |
6 |
17 |
|
B |
22 |
6 |
12819 |
x |
B |
x-1,y,z |
1_455 |
18 |
5 |
12819 |
183.7 |
-2.8 |
0.311 |
2 |
1 |
0 |
0.000 |
18 |
|
D |
21 |
6 |
12861 |
x |
D |
x-1,y,z |
1_455 |
17 |
5 |
12861 |
182.1 |
-2.1 |
0.407 |
1 |
0 |
0 |
0.000 |
19 |
|
A |
17 |
6 |
12717 |
x |
A |
x-1,y,z |
1_455 |
21 |
6 |
12717 |
158.6 |
-1.0 |
0.561 |
1 |
0 |
0 |
0.000 |
20 |
|
C |
7 |
2 |
12826 |
x |
C |
x-1,y,z |
1_455 |
11 |
4 |
12826 |
84.0 |
-0.8 |
0.358 |
0 |
0 |
0 |
0.000 |
Average: |
152.1 |
-1.7 |
0.409 |
1 |
0 |
0 |
0.000 |
7 |
21 |
|
[POP]B:4001 |
9 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
12819 |
118.0 |
-0.7 |
0.626 |
10 |
0 |
0 |
0.070 |
22 |
|
[POP]C:4001 |
9 |
1 |
261 |
f |
C |
x,y,z |
1_555 |
21 |
11 |
12826 |
117.2 |
-0.7 |
0.559 |
9 |
0 |
0 |
0.070 |
23 |
|
[POP]A:4001 |
9 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
12717 |
117.0 |
-0.8 |
0.592 |
9 |
0 |
0 |
0.070 |
24 |
|
[POP]D:4001 |
9 |
1 |
259 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
12861 |
115.7 |
-0.7 |
0.619 |
9 |
0 |
0 |
0.070 |
Average: |
117.0 |
-0.7 |
0.599 |
9 |
0 |
0 |
0.070 |
8 |
25 |
|
D |
10 |
3 |
12861 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
12819 |
66.3 |
1.0 |
0.812 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
2 |
1 |
12819 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
12826 |
8.3 |
-0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
Average: |
37.3 |
0.5 |
0.702 |
0 |
0 |
0 |
0.000 |
9 |
27 |
|
[POP]B:4001 |
6 |
1 |
262 |
f |
[AMP]B:3001 |
x,y,z |
1_555 |
8 |
1 |
486 |
54.4 |
-1.5 |
0.475 |
0 |
0 |
0 |
0.021 |
28 |
|
[POP]D:4001 |
7 |
1 |
259 |
f |
[AMP]D:3001 |
x,y,z |
1_555 |
9 |
1 |
486 |
54.4 |
-1.5 |
0.474 |
0 |
0 |
0 |
0.021 |
29 |
|
[POP]A:4001 |
7 |
1 |
261 |
f |
[AMP]A:3001 |
x,y,z |
1_555 |
8 |
1 |
484 |
54.1 |
-1.4 |
0.476 |
0 |
0 |
0 |
0.021 |
30 |
|
[POP]C:4001 |
6 |
1 |
261 |
f |
[AMP]C:3001 |
x,y,z |
1_555 |
8 |
1 |
483 |
53.5 |
-1.4 |
0.454 |
0 |
0 |
0 |
0.021 |
Average: |
54.1 |
-1.4 |
0.470 |
0 |
0 |
0 |
0.021 |
10 |
31 |
|
[NA]A:250 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
12717 |
42.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.077 |
32 |
|
[NA]D:250 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
12861 |
42.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.077 |
33 |
|
[NA]B:250 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
12819 |
42.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.077 |
34 |
|
[NA]C:250 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
12826 |
42.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
42.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.077 |
11 |
35 |
|
[MG]A:5002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12717 |
37.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.048 |
36 |
|
[MG]B:5002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12819 |
37.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.048 |
37 |
|
[MG]D:5002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
12861 |
37.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.048 |
38 |
|
[MG]C:5002 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
12826 |
37.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
37.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.048 |
12 |
39 |
|
A |
6 |
2 |
12717 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
4 |
12819 |
32.3 |
-0.6 |
0.476 |
0 |
0 |
0 |
0.000 |
40 |
|
C |
3 |
2 |
12826 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
3 |
12861 |
23.5 |
-0.6 |
0.366 |
0 |
0 |
0 |
0.000 |
Average: |
27.9 |
-0.6 |
0.421 |
0 |
0 |
0 |
0.000 |
13 |
41 |
|
A |
7 |
2 |
12717 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
2 |
12861 |
27.3 |
0.3 |
0.740 |
0 |
0 |
0 |
0.000 |
14 |
42 |
|
D |
4 |
2 |
12861 |
◊ |
C |
-x,y-1/2,-z+3/2 |
3_546 |
2 |
2 |
12826 |
26.6 |
1.1 |
0.889 |
1 |
0 |
0 |
0.000 |
15 |
43 |
|
[NA]D:250 |
1 |
1 |
125 |
f |
[AMP]D:3001 |
x,y,z |
1_555 |
4 |
1 |
486 |
26.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.050 |
44 |
|
[NA]C:250 |
1 |
1 |
125 |
f |
[AMP]C:3001 |
x,y,z |
1_555 |
4 |
1 |
483 |
26.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.050 |
45 |
|
[NA]B:250 |
1 |
1 |
125 |
f |
[AMP]B:3001 |
x,y,z |
1_555 |
4 |
1 |
486 |
25.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.050 |
46 |
|
[NA]A:250 |
1 |
1 |
125 |
f |
[AMP]A:3001 |
x,y,z |
1_555 |
4 |
1 |
484 |
25.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
26.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.050 |
16 |
47 |
|
[MG]A:5001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12717 |
24.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.045 |
48 |
|
[MG]C:5001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
12826 |
24.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.045 |
49 |
|
[MG]B:5001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12819 |
24.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.045 |
50 |
|
[MG]D:5001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
12861 |
23.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
24.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.045 |
17 |
51 |
|
[POP]B:4001 |
4 |
1 |
262 |
f |
[MG]B:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.039 |
52 |
|
[POP]A:4001 |
4 |
1 |
261 |
f |
[MG]A:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.039 |
53 |
|
[POP]C:4001 |
5 |
1 |
261 |
f |
[MG]C:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.039 |
54 |
|
[POP]D:4001 |
6 |
1 |
259 |
f |
[MG]D:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
24.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.039 |
18 |
55 |
|
[AMP]D:3001 |
5 |
1 |
486 |
f |
[MG]D:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.047 |
56 |
|
[AMP]B:3001 |
5 |
1 |
486 |
f |
[MG]B:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.047 |
57 |
|
[AMP]C:3001 |
5 |
1 |
483 |
f |
[MG]C:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.047 |
58 |
|
[AMP]A:3001 |
5 |
1 |
484 |
f |
[MG]A:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
23.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.047 |
19 |
59 |
|
[NA]D:250 |
1 |
1 |
125 |
f |
[POP]D:4001 |
x,y,z |
1_555 |
6 |
1 |
259 |
23.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.037 |
60 |
|
[NA]C:250 |
1 |
1 |
125 |
f |
[POP]C:4001 |
x,y,z |
1_555 |
6 |
1 |
261 |
23.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.037 |
61 |
|
[NA]B:250 |
1 |
1 |
125 |
f |
[POP]B:4001 |
x,y,z |
1_555 |
5 |
1 |
262 |
23.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.037 |
62 |
|
[NA]A:250 |
1 |
1 |
125 |
f |
[POP]A:4001 |
x,y,z |
1_555 |
5 |
1 |
261 |
23.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
23.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.037 |
20 |
63 |
|
[POP]A:4001 |
4 |
1 |
261 |
f |
[MG]A:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.041 |
64 |
|
[POP]D:4001 |
4 |
1 |
259 |
f |
[MG]D:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.041 |
65 |
|
[POP]C:4001 |
5 |
1 |
261 |
f |
[MG]C:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.041 |
66 |
|
[POP]B:4001 |
5 |
1 |
262 |
f |
[MG]B:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
23.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.041 |
21 |
67 |
|
[AMP]D:3001 |
5 |
1 |
486 |
f |
[MG]D:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.044 |
68 |
|
[AMP]C:3001 |
4 |
1 |
483 |
f |
[MG]C:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.044 |
69 |
|
[AMP]B:3001 |
4 |
1 |
486 |
f |
[MG]B:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.044 |
70 |
|
[AMP]A:3001 |
4 |
1 |
484 |
f |
[MG]A:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
22.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.044 |
22 |
71 |
|
A |
3 |
1 |
12717 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
12717 |
14.2 |
0.4 |
0.665 |
0 |
0 |
0 |
0.000 |
23 |
72 |
|
[NA]B:250 |
1 |
1 |
125 |
f |
[MG]B:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
24 |
73 |
|
[NA]C:250 |
1 |
1 |
125 |
f |
[MG]C:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
25 |
74 |
|
[NA]A:250 |
1 |
1 |
125 |
f |
[MG]A:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
26 |
75 |
|
[NA]D:250 |
1 |
1 |
125 |
f |
[MG]D:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
27 |
76 |
|
[NA]D:250 |
1 |
1 |
125 |
f |
[MG]D:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
28 |
77 |
|
[NA]B:250 |
1 |
1 |
125 |
f |
[MG]B:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.015 |
29 |
78 |
|
[NA]C:250 |
1 |
1 |
125 |
f |
[MG]C:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.015 |
30 |
79 |
|
[NA]A:250 |
1 |
1 |
125 |
f |
[MG]A:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.015 |
31 |
80 |
|
[MG]B:5002 |
1 |
1 |
98 |
f |
[MG]B:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
32 |
81 |
|
[MG]D:5002 |
1 |
1 |
98 |
f |
[MG]D:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
33 |
82 |
|
[MG]A:5002 |
1 |
1 |
98 |
f |
[MG]A:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
34 |
83 |
|
[MG]C:5002 |
1 |
1 |
98 |
f |
[MG]C:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
|