| ## |
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 |
|
G |
91 |
26 |
7522 |
◊ |
F |
x,y,z |
1_555 |
89 |
20 |
7691 |
865.2 |
-5.7 |
0.390 |
13 |
3 |
0 |
1.000 |
2 |
|
D |
96 |
24 |
7472 |
◊ |
C |
x,y,z |
1_555 |
90 |
21 |
7579 |
819.5 |
-6.9 |
0.319 |
11 |
3 |
0 |
1.000 |
3 |
|
E |
89 |
21 |
7595 |
◊ |
B |
x,y,z |
1_555 |
90 |
23 |
7518 |
816.3 |
-7.6 |
0.300 |
11 |
3 |
0 |
1.000 |
4 |
|
K |
87 |
21 |
7539 |
◊ |
J |
x,y,z |
1_555 |
84 |
21 |
7468 |
812.8 |
-8.1 |
0.244 |
12 |
2 |
0 |
1.000 |
5 |
|
H |
84 |
21 |
7453 |
◊ |
A |
x,y,z |
1_555 |
85 |
21 |
7413 |
789.8 |
-9.8 |
0.179 |
10 |
2 |
0 |
1.000 |
6 |
|
L |
84 |
22 |
7433 |
◊ |
I |
x,y,z |
1_555 |
90 |
23 |
7626 |
782.1 |
-8.0 |
0.292 |
10 |
0 |
0 |
1.000 |
| Average: |
814.3 |
-7.7 |
0.287 |
11 |
2 |
0 |
1.000 |
| 2 |
7 |
|
J |
70 |
19 |
7468 |
◊ |
I |
x,y,z |
1_555 |
69 |
19 |
7626 |
631.7 |
-6.5 |
0.299 |
1 |
1 |
0 |
0.356 |
8 |
|
F |
64 |
17 |
7691 |
◊ |
A |
x,y,z |
1_555 |
68 |
19 |
7413 |
610.3 |
-6.6 |
0.282 |
1 |
1 |
0 |
0.356 |
9 |
|
C |
67 |
18 |
7579 |
◊ |
B |
x,y,z |
1_555 |
67 |
17 |
7518 |
600.1 |
-7.2 |
0.237 |
0 |
0 |
0 |
0.356 |
10 |
|
L |
65 |
17 |
7433 |
◊ |
K |
x,y,z |
1_555 |
65 |
17 |
7539 |
589.1 |
-8.2 |
0.169 |
2 |
0 |
0 |
0.356 |
11 |
|
E |
62 |
17 |
7595 |
◊ |
D |
x,y,z |
1_555 |
71 |
20 |
7472 |
585.8 |
-7.5 |
0.201 |
0 |
0 |
0 |
0.356 |
12 |
|
H |
64 |
17 |
7453 |
◊ |
G |
x,y,z |
1_555 |
63 |
17 |
7522 |
565.6 |
-8.1 |
0.154 |
0 |
0 |
0 |
0.356 |
| Average: |
597.1 |
-7.3 |
0.224 |
1 |
0 |
0 |
0.356 |
| 3 |
13 |
|
B |
32 |
11 |
7518 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
33 |
12 |
7453 |
302.8 |
1.0 |
0.733 |
5 |
4 |
0 |
0.002 |
14 |
|
L |
30 |
11 |
7433 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
28 |
7 |
7472 |
255.3 |
-0.0 |
0.650 |
3 |
3 |
0 |
0.002 |
| Average: |
279.0 |
0.5 |
0.692 |
4 |
4 |
0 |
0.002 |
| 4 |
15 |
|
H |
26 |
9 |
7453 |
◊ |
D |
x-1,y,z-1 |
1_454 |
19 |
9 |
7472 |
246.0 |
-3.4 |
0.207 |
1 |
0 |
0 |
0.032 |
16 |
|
L |
22 |
7 |
7433 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
8 |
7518 |
217.4 |
-2.1 |
0.356 |
2 |
0 |
0 |
0.032 |
| Average: |
231.7 |
-2.8 |
0.282 |
2 |
0 |
0 |
0.032 |
| 5 |
17 |
|
E |
25 |
10 |
7595 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
7413 |
180.6 |
-3.0 |
0.300 |
0 |
0 |
0 |
0.028 |
18 |
|
I |
22 |
8 |
7626 |
◊ |
C |
x,y,z |
1_555 |
21 |
9 |
7579 |
164.8 |
-3.2 |
0.248 |
0 |
0 |
0 |
0.028 |
| Average: |
172.7 |
-3.1 |
0.274 |
0 |
0 |
0 |
0.028 |
| 6 |
19 |
|
H |
18 |
7 |
7453 |
◊ |
L |
x-1,y,z |
1_455 |
20 |
8 |
7433 |
172.9 |
-2.4 |
0.301 |
0 |
0 |
0 |
0.033 |
20 |
|
J |
18 |
7 |
7468 |
◊ |
B |
x,y,z-1 |
1_554 |
19 |
8 |
7518 |
157.9 |
-2.5 |
0.295 |
0 |
0 |
0 |
0.033 |
21 |
|
F |
19 |
7 |
7691 |
◊ |
D |
x-1,y,z-1 |
1_454 |
17 |
7 |
7472 |
157.2 |
-2.2 |
0.307 |
0 |
0 |
0 |
0.033 |
| Average: |
162.7 |
-2.4 |
0.301 |
0 |
0 |
0 |
0.033 |
| 7 |
22 |
|
C |
21 |
9 |
7579 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
7413 |
172.2 |
-1.6 |
0.404 |
2 |
1 |
0 |
0.023 |
23 |
|
I |
16 |
6 |
7626 |
◊ |
E |
x,y,z |
1_555 |
21 |
8 |
7595 |
161.1 |
-1.5 |
0.444 |
2 |
1 |
0 |
0.023 |
| Average: |
166.6 |
-1.5 |
0.424 |
2 |
1 |
0 |
0.023 |
| 8 |
24 |
|
B |
19 |
6 |
7518 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
16 |
8 |
7522 |
157.3 |
-1.2 |
0.448 |
2 |
0 |
0 |
0.001 |
25 |
|
K |
17 |
8 |
7539 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
16 |
6 |
7472 |
147.3 |
-0.6 |
0.496 |
0 |
0 |
0 |
0.001 |
| Average: |
152.3 |
-0.9 |
0.472 |
1 |
0 |
0 |
0.001 |
| 9 |
26 |
|
I |
16 |
4 |
7626 |
◊ |
G |
x,y,z |
1_555 |
17 |
8 |
7522 |
146.5 |
-2.7 |
0.238 |
1 |
0 |
0 |
0.027 |
27 |
|
K |
18 |
8 |
7539 |
◊ |
A |
x,y,z |
1_555 |
18 |
4 |
7413 |
145.3 |
-2.4 |
0.297 |
1 |
0 |
0 |
0.027 |
| Average: |
145.9 |
-2.6 |
0.268 |
1 |
0 |
0 |
0.027 |
| 10 |
28 |
|
G |
17 |
7 |
7522 |
◊ |
E |
x,y,z |
1_555 |
13 |
4 |
7595 |
135.7 |
-1.7 |
0.329 |
0 |
0 |
0 |
0.013 |
29 |
|
K |
17 |
7 |
7539 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
7579 |
119.3 |
-1.2 |
0.425 |
0 |
0 |
0 |
0.013 |
| Average: |
127.5 |
-1.5 |
0.377 |
0 |
0 |
0 |
0.013 |
| 11 |
30 |
|
F |
13 |
7 |
7691 |
◊ |
B |
x-1,y,z-1 |
1_454 |
16 |
6 |
7518 |
125.5 |
-1.0 |
0.481 |
2 |
1 |
0 |
0.031 |
31 |
|
J |
13 |
7 |
7468 |
◊ |
D |
x,y,z-1 |
1_554 |
15 |
6 |
7472 |
107.0 |
-1.5 |
0.375 |
1 |
0 |
0 |
0.031 |
32 |
|
H |
13 |
6 |
7453 |
◊ |
J |
x-1,y,z |
1_455 |
13 |
5 |
7468 |
104.6 |
-1.7 |
0.331 |
0 |
0 |
0 |
0.031 |
33 |
|
F |
11 |
5 |
7691 |
◊ |
L |
x-1,y,z |
1_455 |
12 |
5 |
7433 |
78.1 |
-1.1 |
0.433 |
0 |
0 |
0 |
0.031 |
| Average: |
103.8 |
-1.3 |
0.405 |
1 |
0 |
0 |
0.031 |
| 12 |
34 |
|
L |
6 |
2 |
7433 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
16 |
6 |
7595 |
94.8 |
-0.5 |
0.552 |
0 |
0 |
0 |
0.000 |
35 |
|
C |
11 |
3 |
7579 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
6 |
2 |
7453 |
81.7 |
-0.5 |
0.349 |
0 |
0 |
0 |
0.000 |
| Average: |
88.2 |
-0.5 |
0.451 |
0 |
0 |
0 |
0.000 |
| 13 |
36 |
|
L |
11 |
4 |
7433 |
◊ |
J |
x,y,z |
1_555 |
10 |
3 |
7468 |
88.9 |
-0.4 |
0.568 |
2 |
0 |
0 |
0.033 |
37 |
|
D |
11 |
4 |
7472 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
7518 |
87.5 |
-0.4 |
0.562 |
2 |
0 |
0 |
0.033 |
38 |
|
H |
10 |
3 |
7453 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
7691 |
85.6 |
-0.5 |
0.533 |
2 |
0 |
0 |
0.033 |
39 |
|
G |
10 |
3 |
7522 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
7413 |
69.7 |
-0.6 |
0.526 |
0 |
0 |
0 |
0.033 |
40 |
|
K |
7 |
3 |
7539 |
◊ |
I |
x,y,z |
1_555 |
10 |
3 |
7626 |
66.2 |
-0.7 |
0.449 |
0 |
0 |
0 |
0.033 |
41 |
|
E |
8 |
3 |
7595 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
7579 |
50.9 |
-0.1 |
0.600 |
0 |
0 |
0 |
0.033 |
| Average: |
74.8 |
-0.4 |
0.540 |
1 |
0 |
0 |
0.033 |
| 14 |
42 |
|
I |
10 |
4 |
7626 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7413 |
69.6 |
-0.9 |
0.416 |
0 |
0 |
0 |
0.004 |
| 15 |
43 |
|
[CL]G:71 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
11 |
5 |
7522 |
60.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.179 |
44 |
|
[CL]K:95 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
11 |
5 |
7539 |
59.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.179 |
| Average: |
59.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.179 |
| 16 |
45 |
|
G |
5 |
1 |
7522 |
◊ |
D |
x-1,y,z-1 |
1_454 |
12 |
4 |
7472 |
57.3 |
1.0 |
0.736 |
0 |
0 |
0 |
0.004 |
46 |
|
H |
7 |
2 |
7453 |
◊ |
I |
x-1,y,z |
1_455 |
3 |
1 |
7626 |
48.9 |
-0.6 |
0.312 |
0 |
0 |
0 |
0.004 |
47 |
|
J |
8 |
3 |
7468 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
1 |
7595 |
48.0 |
-0.8 |
0.209 |
0 |
0 |
0 |
0.004 |
48 |
|
F |
3 |
1 |
7691 |
◊ |
C |
x-1,y,z-1 |
1_454 |
4 |
1 |
7579 |
36.2 |
0.2 |
0.639 |
0 |
1 |
0 |
0.004 |
49 |
|
K |
4 |
1 |
7539 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
1 |
7518 |
29.5 |
-0.6 |
0.369 |
0 |
0 |
0 |
0.004 |
50 |
|
A |
3 |
1 |
7413 |
◊ |
L |
x-1,y,z |
1_455 |
4 |
1 |
7433 |
27.0 |
0.7 |
0.839 |
1 |
1 |
0 |
0.004 |
| Average: |
41.1 |
-0.0 |
0.517 |
0 |
0 |
0 |
0.004 |
| 17 |
51 |
|
H |
3 |
1 |
7453 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
7595 |
53.7 |
1.6 |
0.892 |
1 |
1 |
0 |
0.000 |
52 |
|
L |
3 |
1 |
7433 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
7579 |
38.4 |
1.5 |
0.824 |
0 |
0 |
0 |
0.000 |
| Average: |
46.0 |
1.6 |
0.858 |
1 |
1 |
0 |
0.000 |
| 18 |
53 |
|
[CL]G:83 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
7522 |
49.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.137 |
54 |
|
[CL]K:12 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
8 |
4 |
7539 |
47.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.137 |
| Average: |
48.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.137 |
| 19 |
55 |
|
[NI]G:1 |
1 |
1 |
115 |
f |
G |
x,y,z |
1_555 |
10 |
4 |
7522 |
45.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.118 |
56 |
|
[NI]K:2 |
1 |
1 |
115 |
f |
K |
x,y,z |
1_555 |
9 |
4 |
7539 |
41.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.118 |
| Average: |
43.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.118 |
| 20 |
57 |
|
C |
6 |
3 |
7579 |
◊ |
I |
-x+1,y-1/2,-z |
2_645 |
5 |
3 |
7626 |
44.3 |
1.0 |
0.835 |
1 |
0 |
0 |
0.000 |
58 |
|
A |
4 |
3 |
7413 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
3 |
3 |
7595 |
21.5 |
0.2 |
0.701 |
0 |
0 |
0 |
0.000 |
| Average: |
32.9 |
0.6 |
0.768 |
1 |
0 |
0 |
0.000 |
| 21 |
59 |
|
[CL]K:95 |
1 |
1 |
125 |
f |
[NI]K:2 |
x,y,z |
1_555 |
1 |
1 |
115 |
27.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.118 |
| 22 |
60 |
|
[CL]G:71 |
1 |
1 |
125 |
f |
[NI]G:1 |
x,y,z |
1_555 |
1 |
1 |
115 |
26.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.118 |
| 23 |
61 |
|
[CL]K:12 |
1 |
1 |
125 |
f |
[NI]K:2 |
x,y,z |
1_555 |
1 |
1 |
115 |
26.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.112 |
| 24 |
62 |
|
[CL]G:83 |
1 |
1 |
125 |
f |
[NI]G:1 |
x,y,z |
1_555 |
1 |
1 |
115 |
24.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.110 |
| 25 |
63 |
|
[CL]K:12 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
7579 |
24.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
64 |
|
[CL]G:83 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
7595 |
23.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
23.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| 26 |
65 |
|
[CL]K:95 |
1 |
1 |
125 |
f |
[CL]K:12 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.084 |
| 27 |
66 |
|
[CL]G:83 |
1 |
1 |
125 |
f |
[CL]G:71 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.073 |
| 28 |
67 |
|
[NI]K:2 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
7579 |
11.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.010 |
68 |
|
[NI]G:1 |
1 |
1 |
115 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
7595 |
11.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
11.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| 29 |
69 |
|
C |
3 |
1 |
7579 |
◊ |
J |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
7468 |
10.0 |
-0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
70 |
|
F |
2 |
1 |
7691 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
1 |
1 |
7595 |
4.0 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
| Average: |
7.0 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 30 |
71 |
|
F |
1 |
1 |
7691 |
◊ |
J |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
7468 |
5.6 |
0.2 |
0.812 |
0 |
0 |
0 |
0.000 |
| 31 |
72 |
|
K |
3 |
2 |
7539 |
◊ |
G |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
7522 |
3.3 |
0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
| 32 |
73 |
|
I |
1 |
1 |
7626 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7472 |
2.8 |
0.2 |
0.819 |
0 |
0 |
0 |
0.000 |
|