| ## |
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 |
|
B |
247 |
67 |
15554 |
◊ |
A |
x,y,z |
1_555 |
248 |
66 |
15607 |
2323.7 |
-16.3 |
0.149 |
29 |
5 |
0 |
0.416 |
2 |
|
H |
254 |
67 |
15697 |
◊ |
G |
x,y,z |
1_555 |
241 |
67 |
15666 |
2319.5 |
-16.6 |
0.149 |
27 |
6 |
0 |
0.416 |
3 |
|
F |
252 |
67 |
15714 |
◊ |
E |
x,y,z |
1_555 |
247 |
67 |
15754 |
2314.1 |
-16.3 |
0.135 |
27 |
6 |
0 |
0.416 |
4 |
|
D |
243 |
66 |
15597 |
◊ |
C |
x,y,z |
1_555 |
249 |
66 |
15612 |
2311.9 |
-16.5 |
0.141 |
28 |
6 |
0 |
0.416 |
| Average: |
2317.3 |
-16.4 |
0.143 |
28 |
6 |
0 |
0.416 |
| 2 |
5 |
|
G |
146 |
36 |
15666 |
◊ |
B |
x,y,z |
1_555 |
146 |
36 |
15554 |
1373.2 |
-4.3 |
0.500 |
24 |
4 |
0 |
0.255 |
6 |
|
E |
149 |
37 |
15754 |
◊ |
D |
x,y,z |
1_555 |
146 |
36 |
15597 |
1371.6 |
-4.2 |
0.493 |
22 |
4 |
0 |
0.255 |
7 |
|
H |
148 |
37 |
15697 |
◊ |
C |
x,y,z |
1_555 |
152 |
38 |
15612 |
1369.9 |
-4.1 |
0.496 |
22 |
4 |
0 |
0.255 |
8 |
|
F |
145 |
35 |
15714 |
◊ |
A |
x,y,z |
1_555 |
147 |
35 |
15607 |
1361.8 |
-4.2 |
0.485 |
23 |
4 |
0 |
0.255 |
| Average: |
1369.1 |
-4.2 |
0.494 |
23 |
4 |
0 |
0.255 |
| 3 |
9 |
|
H |
86 |
28 |
15697 |
◊ |
D |
x,y,z |
1_555 |
67 |
25 |
15597 |
728.4 |
-0.3 |
0.659 |
11 |
1 |
0 |
0.103 |
10 |
|
E |
67 |
24 |
15754 |
◊ |
A |
x,y,z |
1_555 |
86 |
26 |
15607 |
724.5 |
0.3 |
0.687 |
10 |
2 |
0 |
0.103 |
11 |
|
E |
84 |
28 |
15754 |
◊ |
C |
x,y,z |
1_555 |
67 |
25 |
15612 |
721.9 |
-1.1 |
0.589 |
12 |
2 |
0 |
0.103 |
12 |
|
H |
67 |
25 |
15697 |
◊ |
B |
x,y,z |
1_555 |
86 |
27 |
15554 |
717.4 |
-0.7 |
0.611 |
10 |
2 |
0 |
0.103 |
13 |
|
F |
66 |
25 |
15714 |
◊ |
D |
x,y,z |
1_555 |
89 |
28 |
15597 |
714.8 |
0.5 |
0.710 |
10 |
2 |
0 |
0.103 |
14 |
|
G |
85 |
28 |
15666 |
◊ |
A |
x,y,z |
1_555 |
67 |
25 |
15607 |
713.4 |
0.0 |
0.696 |
12 |
2 |
0 |
0.103 |
15 |
|
F |
86 |
27 |
15714 |
◊ |
B |
x,y,z |
1_555 |
67 |
25 |
15554 |
710.1 |
-1.6 |
0.555 |
11 |
2 |
0 |
0.103 |
16 |
|
G |
65 |
25 |
15666 |
◊ |
C |
x,y,z |
1_555 |
87 |
27 |
15612 |
701.1 |
0.5 |
0.717 |
11 |
2 |
0 |
0.103 |
| Average: |
716.5 |
-0.3 |
0.653 |
11 |
2 |
0 |
0.103 |
| 4 |
17 |
|
H |
35 |
11 |
15697 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
12 |
15666 |
273.5 |
1.9 |
0.799 |
4 |
4 |
0 |
0.000 |
18 |
|
F |
33 |
11 |
15714 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
30 |
10 |
15754 |
271.3 |
1.6 |
0.773 |
3 |
4 |
0 |
0.000 |
| Average: |
272.4 |
1.7 |
0.786 |
4 |
4 |
0 |
0.000 |
| 5 |
19 |
|
[EPE]H:504 |
13 |
1 |
405 |
◊ |
H |
x,y,z |
1_555 |
28 |
8 |
15697 |
205.9 |
6.0 |
0.276 |
3 |
0 |
0 |
0.000 |
20 |
|
[EPE]D:503 |
14 |
1 |
406 |
◊ |
D |
x,y,z |
1_555 |
27 |
8 |
15597 |
205.7 |
5.6 |
0.194 |
3 |
0 |
0 |
0.000 |
21 |
|
[EPE]B:703 |
14 |
1 |
412 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
15554 |
204.5 |
5.7 |
0.157 |
3 |
0 |
0 |
0.000 |
| Average: |
205.3 |
5.8 |
0.209 |
3 |
0 |
0 |
0.000 |
| 6 |
22 |
|
[EPE]C:503 |
14 |
1 |
412 |
◊ |
C |
x,y,z |
1_555 |
26 |
8 |
15612 |
203.0 |
5.8 |
0.180 |
3 |
0 |
0 |
0.000 |
23 |
|
[EPE]E:504 |
13 |
1 |
406 |
◊ |
F |
x,y,z |
1_555 |
25 |
8 |
15714 |
198.5 |
5.5 |
0.225 |
3 |
0 |
0 |
0.000 |
| Average: |
200.7 |
5.6 |
0.202 |
3 |
0 |
0 |
0.000 |
| 7 |
24 |
|
[EPE]G:503 |
12 |
1 |
411 |
◊ |
G |
x,y,z |
1_555 |
26 |
8 |
15666 |
200.5 |
6.0 |
0.373 |
2 |
0 |
0 |
0.000 |
| 8 |
25 |
|
[EPE]E:503 |
13 |
1 |
406 |
◊ |
E |
x,y,z |
1_555 |
26 |
8 |
15754 |
199.1 |
5.7 |
0.240 |
3 |
0 |
0 |
0.000 |
| 9 |
26 |
|
[MPD]H:503 |
7 |
1 |
275 |
f |
H |
x,y,z |
1_555 |
29 |
14 |
15697 |
196.5 |
-14.5 |
0.214 |
0 |
0 |
0 |
0.204 |
| 10 |
27 |
|
[MPD]E:502 |
7 |
1 |
276 |
f |
E |
x,y,z |
1_555 |
29 |
13 |
15754 |
195.8 |
-13.0 |
0.451 |
2 |
0 |
0 |
0.233 |
| 11 |
28 |
|
D |
23 |
5 |
15597 |
◊ |
A |
x-1,y,z |
1_455 |
24 |
10 |
15607 |
193.3 |
0.3 |
0.635 |
3 |
0 |
0 |
0.000 |
29 |
|
C |
22 |
8 |
15612 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
5 |
15554 |
183.3 |
-0.8 |
0.498 |
2 |
1 |
0 |
0.000 |
| Average: |
188.3 |
-0.2 |
0.567 |
3 |
1 |
0 |
0.000 |
| 12 |
30 |
|
[MPD]G:502 |
7 |
1 |
276 |
f |
G |
x,y,z |
1_555 |
27 |
13 |
15666 |
191.3 |
-13.6 |
0.357 |
2 |
0 |
0 |
0.237 |
31 |
|
[MPD]A:502 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
15607 |
189.2 |
-13.0 |
0.480 |
2 |
0 |
0 |
0.237 |
32 |
|
[MPD]C:502 |
7 |
1 |
272 |
f |
C |
x,y,z |
1_555 |
28 |
14 |
15612 |
188.1 |
-13.2 |
0.353 |
2 |
0 |
0 |
0.237 |
| Average: |
189.5 |
-13.3 |
0.397 |
2 |
0 |
0 |
0.237 |
| 13 |
33 |
|
[MPD]F:701 |
7 |
1 |
278 |
f |
F |
x,y,z |
1_555 |
27 |
13 |
15714 |
190.2 |
-13.6 |
0.358 |
2 |
0 |
0 |
0.233 |
34 |
|
[MPD]D:502 |
7 |
1 |
271 |
f |
D |
x,y,z |
1_555 |
27 |
13 |
15597 |
182.2 |
-12.6 |
0.506 |
3 |
0 |
0 |
0.233 |
| Average: |
186.2 |
-13.1 |
0.432 |
3 |
0 |
0 |
0.233 |
| 14 |
35 |
|
[MPD]B:701 |
7 |
1 |
271 |
f |
B |
x,y,z |
1_555 |
31 |
14 |
15554 |
185.7 |
-12.7 |
0.559 |
2 |
0 |
0 |
0.222 |
| 15 |
36 |
|
F |
19 |
7 |
15714 |
x |
F |
-x+1,y-1/2,-z |
2_645 |
22 |
7 |
15714 |
152.3 |
0.4 |
0.657 |
2 |
1 |
0 |
0.000 |
37 |
|
G |
16 |
8 |
15666 |
x |
G |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
6 |
15666 |
86.1 |
-0.4 |
0.516 |
0 |
0 |
0 |
0.000 |
| Average: |
119.2 |
-0.0 |
0.587 |
1 |
1 |
0 |
0.000 |
| 16 |
38 |
|
[MPD]A:503 |
7 |
1 |
276 |
f |
F |
x,y,z |
1_555 |
21 |
9 |
15714 |
123.9 |
-7.1 |
0.704 |
2 |
0 |
0 |
0.109 |
| 17 |
39 |
|
[MPD]H:501 |
5 |
1 |
278 |
◊ |
H |
x,y,z |
1_555 |
21 |
9 |
15697 |
123.8 |
-7.0 |
0.691 |
0 |
0 |
0 |
0.093 |
| 18 |
40 |
|
[MPD]H:501 |
7 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
15612 |
119.2 |
-6.7 |
0.722 |
3 |
0 |
0 |
0.106 |
| 19 |
41 |
|
[MPD]A:503 |
6 |
1 |
276 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
15607 |
112.3 |
-6.4 |
0.793 |
2 |
0 |
0 |
0.099 |
| 20 |
42 |
|
[EPE]B:702 |
10 |
1 |
402 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
15554 |
110.5 |
2.8 |
0.083 |
0 |
0 |
0 |
0.000 |
| 21 |
43 |
|
[EPE]B:702 |
10 |
1 |
402 |
f |
A |
x,y-1,z |
1_545 |
13 |
5 |
15607 |
109.2 |
3.1 |
0.104 |
1 |
0 |
0 |
0.000 |
| 22 |
44 |
|
[EPE]E:503 |
9 |
1 |
406 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
15714 |
96.6 |
2.1 |
0.035 |
5 |
0 |
0 |
0.001 |
| 23 |
45 |
|
[EPE]E:504 |
9 |
1 |
406 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
15754 |
96.1 |
2.2 |
0.037 |
4 |
0 |
0 |
0.000 |
46 |
|
[EPE]C:503 |
9 |
1 |
412 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
15597 |
89.4 |
2.0 |
0.029 |
3 |
0 |
0 |
0.000 |
| Average: |
92.7 |
2.1 |
0.033 |
4 |
0 |
0 |
0.000 |
| 24 |
47 |
|
[EPE]B:703 |
8 |
1 |
412 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15607 |
93.4 |
2.0 |
0.047 |
3 |
0 |
0 |
0.000 |
48 |
|
[EPE]H:504 |
8 |
1 |
405 |
f |
G |
x,y,z |
1_555 |
11 |
4 |
15666 |
89.3 |
1.9 |
0.050 |
2 |
0 |
0 |
0.000 |
49 |
|
[EPE]D:503 |
8 |
1 |
406 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
15612 |
83.8 |
1.5 |
0.034 |
2 |
0 |
0 |
0.000 |
| Average: |
88.8 |
1.8 |
0.044 |
2 |
0 |
0 |
0.000 |
| 25 |
50 |
|
[EPE]G:503 |
10 |
1 |
411 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
15697 |
88.7 |
1.9 |
0.025 |
3 |
0 |
0 |
0.000 |
| 26 |
51 |
|
B |
6 |
2 |
15554 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
2 |
15607 |
62.8 |
0.3 |
0.688 |
0 |
0 |
0 |
0.000 |
| 27 |
52 |
|
[MG]F:700 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
15714 |
49.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.305 |
53 |
|
[MG]G:501 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
7 |
15666 |
48.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.305 |
54 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
15607 |
48.9 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.305 |
55 |
|
[MG]E:501 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
15754 |
48.8 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.305 |
56 |
|
[MG]B:700 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
15554 |
48.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.305 |
57 |
|
[MG]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
15597 |
48.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.305 |
58 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
15612 |
47.9 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.305 |
59 |
|
[MG]H:502 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
7 |
15697 |
47.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.305 |
| Average: |
48.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.305 |
| 28 |
60 |
|
H |
6 |
1 |
15697 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
15612 |
37.3 |
0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
61 |
|
D |
2 |
1 |
15597 |
◊ |
E |
x,y-1,z |
1_545 |
5 |
1 |
15754 |
17.2 |
0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
| Average: |
27.3 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
| 29 |
62 |
|
[MPD]F:701 |
1 |
1 |
278 |
◊ |
E |
x,y,z |
1_555 |
7 |
1 |
15754 |
30.0 |
-2.1 |
0.365 |
0 |
0 |
0 |
0.029 |
63 |
|
[MPD]G:502 |
2 |
1 |
276 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
15697 |
29.6 |
-2.1 |
0.499 |
0 |
0 |
0 |
0.029 |
64 |
|
[MPD]D:502 |
2 |
1 |
271 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
15612 |
28.9 |
-2.0 |
0.503 |
0 |
0 |
0 |
0.029 |
| Average: |
29.5 |
-2.1 |
0.456 |
0 |
0 |
0 |
0.029 |
| 30 |
65 |
|
[MPD]C:502 |
2 |
1 |
272 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
15597 |
29.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.026 |
66 |
|
[MPD]A:502 |
2 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
15554 |
28.1 |
-1.9 |
0.499 |
0 |
0 |
0 |
0.026 |
| Average: |
29.0 |
-2.0 |
0.250 |
0 |
0 |
0 |
0.026 |
| 31 |
67 |
|
[MPD]E:502 |
1 |
1 |
276 |
◊ |
F |
x,y,z |
1_555 |
6 |
1 |
15714 |
29.2 |
-2.0 |
0.351 |
0 |
0 |
0 |
0.025 |
| 32 |
68 |
|
[MPD]H:503 |
2 |
1 |
275 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
15666 |
22.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.021 |
| 33 |
69 |
|
[MPD]B:701 |
3 |
1 |
271 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15607 |
19.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.017 |
| 34 |
70 |
|
C |
1 |
1 |
15612 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
15607 |
10.9 |
-0.3 |
0.178 |
0 |
0 |
0 |
0.000 |
| 35 |
71 |
|
[MG]B:700 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15607 |
7.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.022 |
72 |
|
[MG]E:501 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
15714 |
7.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.022 |
73 |
|
[MG]F:700 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
15754 |
6.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.022 |
74 |
|
[MG]A:501 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15554 |
6.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.022 |
75 |
|
[MG]H:502 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
15666 |
6.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.022 |
76 |
|
[MG]G:501 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
15697 |
6.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.022 |
77 |
|
[MG]C:501 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15597 |
6.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.022 |
78 |
|
[MG]D:501 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15612 |
5.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
6.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.022 |
| 36 |
79 |
|
[MPD]H:503 |
1 |
1 |
275 |
f |
[MG]H:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.010 |
| 37 |
80 |
|
[MPD]C:502 |
1 |
1 |
272 |
f |
[MG]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
81 |
|
[MPD]D:502 |
1 |
1 |
271 |
f |
[MG]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
82 |
|
[MPD]F:701 |
1 |
1 |
278 |
f |
[MG]F:700 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.005 |
83 |
|
[MPD]A:502 |
1 |
1 |
278 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.005 |
84 |
|
[MPD]G:502 |
1 |
1 |
276 |
f |
[MG]G:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.005 |
85 |
|
[MPD]E:502 |
1 |
1 |
276 |
f |
[MG]E:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| 38 |
86 |
|
[MPD]B:701 |
1 |
1 |
271 |
f |
[MG]B:700 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|