| ## |
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 |
229 |
63 |
18522 |
◊ |
A |
x,y,z |
1_555 |
230 |
63 |
18188 |
2324.6 |
-12.4 |
0.272 |
32 |
11 |
0 |
0.137 |
| 2 |
2 |
|
A |
52 |
15 |
18188 |
x |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
56 |
14 |
18188 |
477.2 |
-2.2 |
0.455 |
3 |
4 |
0 |
0.000 |
| 3 |
3 |
|
B |
50 |
11 |
18522 |
◊ |
B |
-x,y,-z+1 |
2_556 |
50 |
11 |
18522 |
412.3 |
-1.2 |
0.532 |
6 |
2 |
0 |
0.029 |
| 4 |
4 |
|
A |
32 |
14 |
18188 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
27 |
11 |
18188 |
222.0 |
1.0 |
0.727 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
23 |
8 |
18188 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
8 |
18522 |
173.8 |
-2.2 |
0.310 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
19 |
6 |
18522 |
x |
B |
x,y-1,z |
1_545 |
24 |
9 |
18522 |
170.4 |
-0.0 |
0.474 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
A |
16 |
6 |
18188 |
x |
A |
x,y,z-1 |
1_554 |
18 |
8 |
18188 |
148.3 |
0.9 |
0.714 |
1 |
2 |
0 |
0.000 |
8 |
|
B |
17 |
8 |
18522 |
x |
B |
x,y,z-1 |
1_554 |
16 |
5 |
18522 |
147.5 |
-0.2 |
0.506 |
1 |
2 |
0 |
0.000 |
| Average: |
147.9 |
0.3 |
0.610 |
1 |
2 |
0 |
0.000 |
| 8 |
9 |
|
[MES]A:517 |
11 |
1 |
338 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
18188 |
142.4 |
3.7 |
0.128 |
0 |
0 |
0 |
0.000 |
10 |
|
[MES]B:510 |
11 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
18522 |
140.8 |
3.6 |
0.143 |
0 |
0 |
0 |
0.000 |
| Average: |
141.6 |
3.6 |
0.135 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[MES]B:510 |
10 |
1 |
336 |
◊ |
B |
x,y,z-1 |
1_554 |
15 |
5 |
18522 |
121.9 |
2.4 |
0.075 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
14 |
5 |
18188 |
◊ |
[MES]A:517 |
x,y,z-1 |
1_554 |
10 |
1 |
338 |
120.6 |
3.2 |
0.073 |
0 |
0 |
0 |
0.000 |
| Average: |
121.3 |
2.8 |
0.074 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
A |
17 |
8 |
18188 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
16 |
6 |
18522 |
109.3 |
0.9 |
0.727 |
0 |
1 |
0 |
0.000 |
| 11 |
14 |
|
[BME]B:509 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
18522 |
107.3 |
-1.7 |
0.374 |
3 |
0 |
0 |
0.041 |
| 12 |
15 |
|
[EDO]A:516 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
18188 |
107.3 |
3.6 |
0.480 |
1 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[BME]A:515 |
4 |
1 |
204 |
cf |
A |
x,y,z |
1_555 |
18 |
9 |
18188 |
99.3 |
-1.7 |
0.372 |
2 |
0 |
0 |
0.013 |
| 14 |
17 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
18522 |
73.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.164 |
18 |
|
[CL]A:510 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
18188 |
71.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.164 |
| Average: |
72.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.164 |
| 15 |
19 |
|
[CL]A:507 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
18188 |
68.6 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.045 |
| 16 |
20 |
|
[CL]A:511 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
18188 |
67.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.121 |
21 |
|
[CL]B:507 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
18522 |
67.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.121 |
| Average: |
67.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.121 |
| 17 |
22 |
|
[CL]A:508 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
18188 |
66.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.051 |
| 18 |
23 |
|
[CL]B:506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
18522 |
64.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.129 |
24 |
|
[CL]A:514 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
18188 |
57.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.129 |
25 |
|
[CL]A:513 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
18188 |
55.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.129 |
| Average: |
59.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.129 |
| 19 |
26 |
|
[CL]A:509 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
18188 |
58.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.107 |
27 |
|
[CL]B:508 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
18522 |
57.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
58.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.107 |
| 20 |
28 |
|
[CL]A:512 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
18188 |
53.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.031 |
| 21 |
29 |
|
A |
13 |
4 |
18188 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
1 |
18522 |
46.9 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[CA]B:502 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
18522 |
43.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.121 |
31 |
|
[CA]A:502 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18188 |
43.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.121 |
| Average: |
43.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.121 |
| 23 |
32 |
|
[CA]A:501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
18188 |
41.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.039 |
| 24 |
33 |
|
A |
5 |
3 |
18188 |
◊ |
[CL]A:512 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
40.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[CA]B:501 |
1 |
1 |
85 |
x |
B |
x,y,z |
1_555 |
5 |
2 |
18522 |
40.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.110 |
| 26 |
35 |
|
[CA]B:504 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
18522 |
37.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.102 |
| 27 |
36 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
18188 |
34.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.030 |
| 28 |
37 |
|
[CL]A:514 |
1 |
1 |
125 |
f |
[CL]A:513 |
x,y,z |
1_555 |
1 |
1 |
125 |
34.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.033 |
| 29 |
38 |
|
[CA]A:505 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
18188 |
27.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.022 |
| 30 |
39 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
18188 |
24.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| 31 |
40 |
|
[BME]B:509 |
2 |
1 |
207 |
f |
[CL]B:506 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.037 |
41 |
|
[BME]A:515 |
3 |
1 |
204 |
f |
[CL]A:514 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.037 |
42 |
|
[BME]A:515 |
2 |
1 |
204 |
f |
[CL]A:513 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
20.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.037 |
| 32 |
43 |
|
[CA]B:503 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
18522 |
22.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.048 |
| 33 |
44 |
|
[CL]B:507 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18188 |
20.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.023 |
45 |
|
[CL]A:511 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18522 |
19.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
20.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.023 |
| 34 |
46 |
|
[CA]A:506 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
18188 |
20.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.014 |
| 35 |
47 |
|
[CA]B:504 |
1 |
1 |
85 |
◊ |
B |
-x,y,-z+1 |
2_556 |
6 |
2 |
18522 |
17.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.039 |
| 36 |
48 |
|
[CA]A:504 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
18522 |
14.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| 37 |
49 |
|
A |
3 |
1 |
18188 |
◊ |
[CA]A:506 |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
85 |
10.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
50 |
|
A |
2 |
1 |
18188 |
◊ |
[CA]A:503 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
85 |
10.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
51 |
|
[MES]A:517 |
2 |
1 |
338 |
f |
[CL]A:512 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
| 40 |
52 |
|
B |
1 |
1 |
18522 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
18188 |
1.0 |
0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
|