| ## |
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 |
57 |
17 |
6833 |
◊ |
A |
x,y,z |
1_555 |
57 |
18 |
6793 |
578.3 |
-4.3 |
0.316 |
5 |
1 |
0 |
0.000 |
| 2 |
2 |
|
B |
57 |
15 |
6833 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
54 |
16 |
6833 |
526.4 |
-2.8 |
0.424 |
7 |
4 |
0 |
0.000 |
3 |
|
A |
54 |
15 |
6793 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
57 |
16 |
6793 |
519.6 |
-3.0 |
0.410 |
7 |
4 |
0 |
0.000 |
| Average: |
523.0 |
-2.9 |
0.417 |
7 |
4 |
0 |
0.000 |
| 3 |
4 |
|
[GOL]A:208 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
6793 |
124.7 |
-0.6 |
0.484 |
5 |
0 |
0 |
0.123 |
| 4 |
5 |
|
[IMD]B:207 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
6833 |
118.2 |
4.2 |
0.422 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[GOL]B:206 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
6833 |
115.0 |
-0.1 |
0.547 |
1 |
0 |
0 |
0.011 |
| 6 |
7 |
|
[IMD]B:204 |
5 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
6833 |
97.7 |
2.1 |
0.252 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[IMD]A:203 |
5 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
6793 |
97.3 |
2.7 |
0.231 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[IMD]B:203 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
6833 |
96.4 |
2.7 |
0.231 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[IMD]A:204 |
5 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
6793 |
96.4 |
2.2 |
0.272 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[GOL]A:207 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
6793 |
93.5 |
-0.4 |
0.454 |
3 |
0 |
0 |
0.075 |
| 11 |
12 |
|
[BEF]B:202 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
6833 |
73.3 |
1.8 |
0.587 |
5 |
0 |
0 |
0.018 |
13 |
|
[BEF]A:202 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
6793 |
73.0 |
1.8 |
0.582 |
5 |
0 |
0 |
0.018 |
| Average: |
73.1 |
1.8 |
0.585 |
5 |
0 |
0 |
0.018 |
| 12 |
14 |
|
[SO4]A:206 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
6833 |
69.2 |
-9.8 |
0.621 |
1 |
0 |
0 |
0.221 |
| 13 |
15 |
|
A |
10 |
3 |
6793 |
f |
[GOL]A:205 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
216 |
67.7 |
-0.2 |
0.551 |
1 |
0 |
0 |
0.029 |
| 14 |
16 |
|
[GOL]B:205 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
6833 |
67.4 |
0.1 |
0.613 |
1 |
0 |
0 |
0.007 |
| 15 |
17 |
|
[GOL]B:205 |
4 |
1 |
217 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
6833 |
45.6 |
0.9 |
0.690 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
B |
4 |
2 |
6833 |
◊ |
[GOL]A:205 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
216 |
45.4 |
0.6 |
0.657 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[MN]B:201 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
6833 |
44.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.139 |
20 |
|
[MN]A:201 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6793 |
43.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
43.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.139 |
| 18 |
21 |
|
[GOL]A:205 |
4 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6793 |
44.0 |
1.5 |
0.834 |
2 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[IMD]A:204 |
3 |
1 |
199 |
f |
[BEF]A:202 |
x,y,z |
1_555 |
4 |
1 |
181 |
33.8 |
1.3 |
0.143 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[SO4]A:206 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
6793 |
33.4 |
-2.5 |
0.969 |
1 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[IMD]B:204 |
3 |
1 |
197 |
f |
[BEF]B:202 |
x,y,z |
1_555 |
4 |
1 |
182 |
33.1 |
1.3 |
0.143 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[IMD]A:204 |
2 |
1 |
199 |
f |
[IMD]A:203 |
x,y,z |
1_555 |
2 |
1 |
199 |
31.5 |
2.0 |
0.160 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[IMD]B:204 |
3 |
1 |
197 |
f |
[IMD]B:203 |
x,y,z |
1_555 |
2 |
1 |
198 |
30.6 |
1.8 |
0.101 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[IMD]B:203 |
3 |
1 |
198 |
f |
[MN]B:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
29.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.038 |
28 |
|
[IMD]A:203 |
3 |
1 |
199 |
f |
[MN]A:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
29.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
29.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.038 |
| 25 |
29 |
|
[IMD]A:203 |
2 |
1 |
199 |
f |
[BEF]A:202 |
x,y,z |
1_555 |
2 |
1 |
181 |
23.8 |
1.0 |
0.316 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[BEF]B:202 |
2 |
1 |
182 |
f |
[MN]B:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.030 |
31 |
|
[BEF]A:202 |
2 |
1 |
181 |
f |
[MN]A:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
23.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| 27 |
32 |
|
[IMD]B:203 |
2 |
1 |
198 |
f |
[BEF]B:202 |
x,y,z |
1_555 |
2 |
1 |
182 |
23.5 |
1.0 |
0.316 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[IMD]A:204 |
2 |
1 |
199 |
f |
[MN]A:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
10.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.009 |
34 |
|
[IMD]B:204 |
2 |
1 |
197 |
f |
[MN]B:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
10.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
10.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.009 |
| 29 |
35 |
|
[GOL]B:205 |
1 |
1 |
217 |
◊ |
[GOL]B:206 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
222 |
0.6 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|