| ## |
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 |
140 |
43 |
17050 |
◊ |
A |
x,y,z |
1_555 |
144 |
40 |
17284 |
1266.5 |
-4.0 |
0.590 |
14 |
2 |
0 |
0.000 |
| 2 |
2 |
|
B |
55 |
18 |
17050 |
◊ |
A |
x,y,z-1 |
1_554 |
53 |
15 |
17284 |
435.0 |
-2.3 |
0.486 |
1 |
2 |
0 |
0.000 |
| 3 |
3 |
|
A |
43 |
16 |
17284 |
◊ |
B |
x-1,y,z |
1_455 |
50 |
16 |
17050 |
423.4 |
-3.3 |
0.301 |
5 |
3 |
0 |
0.000 |
| 4 |
4 |
|
B |
35 |
11 |
17050 |
x |
B |
x-1,y,z |
1_455 |
41 |
16 |
17050 |
370.3 |
0.7 |
0.697 |
4 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
34 |
9 |
17284 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
30 |
7 |
17284 |
269.7 |
-1.2 |
0.542 |
1 |
2 |
0 |
0.000 |
| 6 |
6 |
|
B |
33 |
13 |
17050 |
x |
B |
-x,y-1/2,-z |
2_545 |
33 |
14 |
17050 |
253.2 |
-0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
A |
20 |
6 |
17284 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
23 |
9 |
17050 |
195.9 |
-1.4 |
0.433 |
2 |
1 |
0 |
0.000 |
| 8 |
8 |
|
A |
25 |
9 |
17284 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
7 |
17284 |
194.5 |
-2.1 |
0.360 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
A |
21 |
7 |
17284 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
11 |
17050 |
190.4 |
0.3 |
0.691 |
0 |
1 |
0 |
0.000 |
| 10 |
10 |
|
[BGC]C:2 |
11 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
34 |
14 |
17284 |
187.9 |
3.6 |
0.543 |
6 |
0 |
0 |
0.000 |
11 |
|
[BGC]D:2 |
11 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
35 |
15 |
17050 |
186.8 |
3.7 |
0.522 |
6 |
0 |
0 |
0.000 |
| Average: |
187.3 |
3.7 |
0.533 |
6 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[BGC]C:1 |
12 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
17284 |
168.6 |
2.1 |
0.367 |
1 |
0 |
0 |
0.000 |
13 |
|
[BGC]D:1 |
12 |
1 |
304 |
f |
B |
x,y,z |
1_555 |
28 |
8 |
17050 |
159.3 |
2.3 |
0.369 |
1 |
0 |
0 |
0.000 |
| Average: |
164.0 |
2.2 |
0.368 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
B |
15 |
6 |
17050 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
14 |
5 |
17050 |
119.8 |
0.0 |
0.592 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
A |
16 |
8 |
17284 |
x |
A |
x-1,y,z |
1_455 |
15 |
10 |
17284 |
113.0 |
-1.2 |
0.446 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[PEG]B:506 |
7 |
1 |
253 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
17050 |
110.6 |
1.6 |
0.224 |
3 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
17050 |
107.5 |
2.5 |
0.393 |
1 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
17050 |
100.7 |
-15.9 |
0.787 |
6 |
0 |
0 |
0.074 |
19 |
|
[SO4]A:503 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
17284 |
96.5 |
-15.5 |
0.790 |
5 |
0 |
0 |
0.074 |
| Average: |
98.6 |
-15.7 |
0.788 |
6 |
0 |
0 |
0.074 |
| 17 |
20 |
|
[EDO]A:505 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
17284 |
94.9 |
1.9 |
0.356 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[PGO]B:505 |
5 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
17050 |
93.3 |
2.2 |
0.192 |
3 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[ACT]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17284 |
85.0 |
0.8 |
0.840 |
3 |
0 |
0 |
0.002 |
| 20 |
23 |
|
[EDO]A:506 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
17284 |
84.7 |
2.2 |
0.251 |
2 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]A:504 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17284 |
80.7 |
1.6 |
0.216 |
1 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[CL]B:501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
17050 |
75.4 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.051 |
26 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
17284 |
74.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
74.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.051 |
| 23 |
27 |
|
[BGC]D:2 |
7 |
1 |
291 |
cf |
[BGC]D:1 |
x,y,z |
1_555 |
5 |
1 |
304 |
60.2 |
1.4 |
0.155 |
0 |
0 |
0 |
0.000 |
28 |
|
[BGC]C:2 |
7 |
1 |
295 |
cf |
[BGC]C:1 |
x,y,z |
1_555 |
5 |
1 |
304 |
59.1 |
1.3 |
0.153 |
0 |
0 |
0 |
0.000 |
| Average: |
59.6 |
1.3 |
0.154 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[EDO]B:504 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17050 |
46.1 |
2.2 |
0.975 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
A |
4 |
3 |
17284 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
17050 |
36.4 |
0.3 |
0.419 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
A |
3 |
1 |
17284 |
f |
[EDO]A:505 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
182 |
35.6 |
1.3 |
0.927 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
B |
3 |
1 |
17050 |
f |
[EDO]B:504 |
x-1,y,z |
1_455 |
2 |
1 |
183 |
26.0 |
0.2 |
0.457 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[BGC]C:1 |
1 |
1 |
304 |
f |
[SO4]A:503 |
x,y,z |
1_555 |
3 |
1 |
183 |
16.7 |
-1.6 |
0.498 |
0 |
0 |
0 |
0.007 |
| 29 |
34 |
|
[BGC]D:1 |
1 |
1 |
304 |
f |
[SO4]B:502 |
x,y,z |
1_555 |
3 |
1 |
184 |
16.6 |
-1.6 |
0.407 |
0 |
0 |
0 |
0.006 |
| 30 |
35 |
|
A |
3 |
3 |
17284 |
f |
[PEG]B:506 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
253 |
13.4 |
0.2 |
0.274 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[EDO]A:506 |
2 |
1 |
185 |
f |
[ACT]A:502 |
x,y,z |
1_555 |
1 |
1 |
183 |
13.3 |
0.4 |
0.707 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
B |
3 |
2 |
17050 |
◊ |
A |
x-1,y,z-1 |
1_454 |
2 |
2 |
17284 |
13.3 |
0.6 |
0.824 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
A |
2 |
1 |
17284 |
◊ |
[EDO]A:506 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
185 |
13.0 |
0.7 |
0.937 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[BGC]C:2 |
2 |
1 |
295 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17050 |
4.5 |
0.2 |
0.451 |
0 |
0 |
0 |
0.000 |
|