| ## |
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 |
181 |
51 |
7331 |
◊ |
C |
x,y,z |
1_555 |
175 |
49 |
7049 |
1572.1 |
-16.1 |
0.448 |
27 |
3 |
0 |
0.818 |
2 |
|
B |
176 |
49 |
7143 |
◊ |
A |
x,y,z |
1_555 |
174 |
49 |
7070 |
1511.0 |
-17.7 |
0.324 |
24 |
2 |
0 |
0.818 |
| Average: |
1541.6 |
-16.9 |
0.386 |
26 |
3 |
0 |
0.818 |
| 2 |
3 |
|
C |
48 |
15 |
7049 |
◊ |
B |
x,y,z |
1_555 |
50 |
15 |
7143 |
472.7 |
-10.0 |
0.059 |
2 |
0 |
0 |
0.231 |
4 |
|
D |
49 |
14 |
7331 |
◊ |
A |
x,y,z |
1_555 |
46 |
14 |
7070 |
471.8 |
-10.2 |
0.048 |
2 |
0 |
0 |
0.231 |
| Average: |
472.2 |
-10.1 |
0.054 |
2 |
0 |
0 |
0.231 |
| 3 |
5 |
|
C |
40 |
14 |
7049 |
◊ |
B |
x-1,y,z-1 |
1_454 |
42 |
14 |
7143 |
419.3 |
-2.9 |
0.525 |
4 |
0 |
0 |
0.000 |
| 4 |
6 |
|
D |
27 |
7 |
7331 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
26 |
7 |
7070 |
246.6 |
1.6 |
0.879 |
5 |
4 |
0 |
0.000 |
| 5 |
7 |
|
[BTN]B:5001 |
16 |
1 |
412 |
f |
B |
x,y,z |
1_555 |
39 |
17 |
7143 |
233.2 |
3.6 |
0.427 |
8 |
0 |
0 |
0.002 |
8 |
|
[BTN]A:5001 |
16 |
1 |
412 |
f |
A |
x,y,z |
1_555 |
41 |
17 |
7070 |
230.5 |
3.7 |
0.467 |
8 |
0 |
0 |
0.002 |
9 |
|
[BTN]C:5001 |
16 |
1 |
410 |
f |
C |
x,y,z |
1_555 |
38 |
16 |
7049 |
230.5 |
3.5 |
0.442 |
8 |
0 |
0 |
0.002 |
10 |
|
[BTN]D:5001 |
16 |
1 |
408 |
f |
D |
x,y,z |
1_555 |
39 |
17 |
7331 |
228.4 |
3.6 |
0.440 |
8 |
0 |
0 |
0.002 |
| Average: |
230.7 |
3.6 |
0.444 |
8 |
0 |
0 |
0.002 |
| 6 |
11 |
|
[DV7]B:110 |
18 |
1 |
409 |
cf |
B |
x,y,z |
1_555 |
26 |
14 |
7143 |
208.6 |
-2.4 |
0.540 |
2 |
0 |
0 |
0.187 |
12 |
|
[DV7]C:110 |
18 |
1 |
412 |
cf |
C |
x,y,z |
1_555 |
24 |
14 |
7049 |
208.3 |
-2.8 |
0.508 |
2 |
0 |
0 |
0.187 |
13 |
|
[DV7]D:110 |
18 |
1 |
411 |
cf |
D |
x,y,z |
1_555 |
31 |
14 |
7331 |
208.0 |
-2.1 |
0.596 |
2 |
0 |
0 |
0.187 |
14 |
|
[DV7]A:110 |
18 |
1 |
409 |
cf |
A |
x,y,z |
1_555 |
29 |
14 |
7070 |
206.9 |
-2.2 |
0.581 |
2 |
0 |
0 |
0.187 |
| Average: |
208.0 |
-2.4 |
0.556 |
2 |
0 |
0 |
0.187 |
| 7 |
15 |
|
C |
17 |
5 |
7049 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
7070 |
178.4 |
-0.2 |
0.715 |
4 |
0 |
0 |
0.022 |
16 |
|
D |
18 |
7 |
7331 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
7143 |
169.4 |
-0.1 |
0.702 |
0 |
0 |
0 |
0.022 |
| Average: |
173.9 |
-0.1 |
0.708 |
2 |
0 |
0 |
0.022 |
| 8 |
17 |
|
D |
12 |
4 |
7331 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
16 |
6 |
7070 |
168.5 |
-2.2 |
0.327 |
1 |
0 |
0 |
0.000 |
| 9 |
18 |
|
C |
16 |
5 |
7049 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
3 |
7143 |
102.4 |
0.9 |
0.775 |
2 |
0 |
0 |
0.000 |
19 |
|
C |
8 |
3 |
7049 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
3 |
7143 |
73.0 |
-0.0 |
0.669 |
1 |
2 |
0 |
0.000 |
| Average: |
87.7 |
0.5 |
0.722 |
2 |
1 |
0 |
0.000 |
| 10 |
20 |
|
D |
12 |
5 |
7331 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
8 |
3 |
7070 |
97.2 |
-1.1 |
0.470 |
0 |
0 |
0 |
0.000 |
| 11 |
21 |
|
D |
7 |
4 |
7331 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
4 |
7143 |
84.5 |
0.3 |
0.622 |
1 |
0 |
0 |
0.000 |
22 |
|
C |
9 |
3 |
7049 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
3 |
7070 |
68.5 |
0.2 |
0.428 |
1 |
0 |
0 |
0.000 |
| Average: |
76.5 |
0.3 |
0.525 |
1 |
0 |
0 |
0.000 |
| 12 |
23 |
|
[BTN]A:5001 |
9 |
1 |
412 |
f |
[DV7]A:110 |
x,y,z |
1_555 |
9 |
1 |
409 |
62.0 |
0.0 |
0.212 |
0 |
0 |
0 |
0.007 |
24 |
|
[BTN]C:5001 |
9 |
1 |
410 |
f |
[DV7]C:110 |
x,y,z |
1_555 |
9 |
1 |
412 |
60.2 |
-0.3 |
0.198 |
0 |
0 |
0 |
0.007 |
25 |
|
[BTN]B:5001 |
8 |
1 |
412 |
f |
[DV7]B:110 |
x,y,z |
1_555 |
9 |
1 |
409 |
60.2 |
-0.2 |
0.218 |
0 |
0 |
0 |
0.007 |
26 |
|
[BTN]D:5001 |
9 |
1 |
408 |
f |
[DV7]D:110 |
x,y,z |
1_555 |
8 |
1 |
411 |
60.2 |
0.0 |
0.219 |
0 |
0 |
0 |
0.007 |
| Average: |
60.7 |
-0.1 |
0.212 |
0 |
0 |
0 |
0.007 |
| 13 |
27 |
|
[DV7]D:110 |
9 |
1 |
411 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
7070 |
52.0 |
-0.7 |
0.358 |
0 |
0 |
0 |
0.028 |
28 |
|
[DV7]A:110 |
9 |
1 |
409 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
7331 |
51.8 |
-0.7 |
0.356 |
0 |
0 |
0 |
0.028 |
29 |
|
[DV7]C:110 |
9 |
1 |
412 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
7143 |
49.9 |
-0.6 |
0.375 |
0 |
0 |
0 |
0.028 |
30 |
|
[DV7]B:110 |
8 |
1 |
409 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
7049 |
49.0 |
-0.7 |
0.375 |
0 |
0 |
0 |
0.028 |
| Average: |
50.7 |
-0.7 |
0.366 |
0 |
0 |
0 |
0.028 |
| 14 |
31 |
|
D |
6 |
1 |
7331 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
5 |
1 |
7143 |
46.4 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
| 15 |
32 |
|
[BTN]D:5001 |
8 |
1 |
408 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
7070 |
45.6 |
0.5 |
0.201 |
0 |
0 |
0 |
0.000 |
33 |
|
[BTN]B:5001 |
7 |
1 |
412 |
◊ |
C |
x,y,z |
1_555 |
8 |
1 |
7049 |
45.5 |
0.6 |
0.249 |
0 |
0 |
0 |
0.000 |
34 |
|
[BTN]C:5001 |
7 |
1 |
410 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
7143 |
43.4 |
0.5 |
0.246 |
0 |
0 |
0 |
0.000 |
35 |
|
[BTN]A:5001 |
7 |
1 |
412 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
7331 |
42.1 |
0.5 |
0.217 |
0 |
0 |
0 |
0.000 |
| Average: |
44.1 |
0.5 |
0.228 |
0 |
0 |
0 |
0.000 |
| 16 |
36 |
|
C |
2 |
1 |
7049 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
7049 |
21.7 |
1.1 |
0.921 |
1 |
0 |
0 |
0.000 |
| 17 |
37 |
|
[DV7]B:110 |
3 |
1 |
409 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7070 |
21.0 |
-0.0 |
0.714 |
0 |
0 |
0 |
0.001 |
38 |
|
[DV7]C:110 |
3 |
1 |
412 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
7331 |
20.8 |
-0.0 |
0.714 |
0 |
0 |
0 |
0.001 |
39 |
|
[DV7]A:110 |
3 |
1 |
409 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7143 |
19.7 |
-0.0 |
0.717 |
0 |
0 |
0 |
0.001 |
40 |
|
[DV7]D:110 |
3 |
1 |
411 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
7049 |
19.3 |
-0.0 |
0.703 |
0 |
0 |
0 |
0.001 |
| Average: |
20.2 |
-0.0 |
0.712 |
0 |
0 |
0 |
0.001 |
| 18 |
41 |
|
B |
2 |
1 |
7143 |
x |
B |
x,y,z-1 |
1_554 |
3 |
1 |
7143 |
7.8 |
0.3 |
0.751 |
0 |
0 |
0 |
0.000 |
| 19 |
42 |
|
C |
1 |
1 |
7049 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
7070 |
1.0 |
0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
| 20 |
43 |
|
[DV7]D:110 |
1 |
1 |
411 |
◊ |
[DV7]A:110 |
x,y,z |
1_555 |
1 |
1 |
409 |
0.6 |
0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
|