| ## |
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 |
236 |
66 |
15981 |
◊ |
A |
x,y,z |
1_555 |
242 |
67 |
16172 |
2465.5 |
-43.8 |
0.000 |
26 |
16 |
0 |
1.000 |
| 2 |
2 |
|
A |
55 |
14 |
16172 |
◊ |
A |
-x+1,y,-z |
2_655 |
55 |
14 |
16172 |
488.2 |
2.4 |
0.875 |
6 |
8 |
0 |
0.000 |
| 3 |
3 |
|
A |
39 |
11 |
16172 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
30 |
11 |
15981 |
320.2 |
-1.4 |
0.557 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
32 |
11 |
15981 |
x |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
26 |
11 |
15981 |
230.0 |
0.9 |
0.802 |
3 |
6 |
0 |
0.000 |
| 5 |
5 |
|
[CIT]A:401 |
12 |
1 |
315 |
f |
A |
x,y,z |
1_555 |
36 |
16 |
16172 |
173.3 |
1.1 |
0.511 |
8 |
0 |
0 |
0.050 |
| 6 |
6 |
|
[CIT]B:401 |
12 |
1 |
313 |
f |
B |
x,y,z |
1_555 |
35 |
16 |
15981 |
172.5 |
1.5 |
0.588 |
8 |
0 |
0 |
0.044 |
| 7 |
7 |
|
A |
19 |
7 |
16172 |
x |
A |
x,y-1,z |
1_545 |
23 |
6 |
16172 |
171.2 |
-0.2 |
0.649 |
4 |
0 |
0 |
0.000 |
| 8 |
8 |
|
A |
19 |
9 |
16172 |
◊ |
B |
x,y-1,z |
1_545 |
20 |
7 |
15981 |
160.7 |
-1.7 |
0.373 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[GOL]B:407 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
15981 |
120.3 |
0.5 |
0.665 |
1 |
0 |
0 |
0.000 |
10 |
|
[GOL]A:406 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
16172 |
118.1 |
0.5 |
0.649 |
1 |
0 |
0 |
0.000 |
| Average: |
119.2 |
0.5 |
0.657 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]A:405 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
16172 |
96.7 |
3.0 |
0.515 |
2 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]A:404 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16172 |
95.6 |
2.5 |
0.464 |
3 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]B:405 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
15981 |
95.4 |
3.1 |
0.697 |
4 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:403 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
16172 |
93.8 |
3.1 |
0.677 |
4 |
0 |
0 |
0.000 |
| Average: |
94.6 |
3.1 |
0.687 |
4 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[EDO]B:403 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
16172 |
82.6 |
2.3 |
0.445 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[EDO]B:402 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
15981 |
82.4 |
1.9 |
0.284 |
4 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[EDO]A:402 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15981 |
82.1 |
2.2 |
0.459 |
1 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[EDO]B:406 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
15981 |
79.0 |
2.2 |
0.410 |
1 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]B:404 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
15981 |
75.7 |
2.6 |
0.306 |
2 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[EDO]B:404 |
4 |
1 |
183 |
f |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
14 |
5 |
15981 |
72.4 |
1.7 |
0.283 |
2 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[EDO]A:402 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
16172 |
56.6 |
1.4 |
0.711 |
1 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]B:403 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
15981 |
55.8 |
1.3 |
0.712 |
1 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[EDO]B:402 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
16172 |
53.2 |
1.4 |
0.258 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[CIT]B:401 |
6 |
1 |
313 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
16172 |
50.0 |
-1.2 |
0.259 |
1 |
0 |
0 |
0.035 |
| 23 |
25 |
|
[CIT]A:401 |
6 |
1 |
315 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
15981 |
49.6 |
-0.3 |
0.346 |
1 |
0 |
0 |
0.015 |
| 24 |
26 |
|
[GOL]A:406 |
4 |
1 |
220 |
f |
[CIT]A:401 |
x,y,z |
1_555 |
8 |
1 |
315 |
40.4 |
0.3 |
0.408 |
3 |
0 |
0 |
0.022 |
| 25 |
27 |
|
[GOL]B:407 |
4 |
1 |
220 |
f |
[CIT]B:401 |
x,y,z |
1_555 |
8 |
1 |
313 |
39.1 |
0.7 |
0.463 |
2 |
0 |
0 |
0.005 |
| 26 |
28 |
|
[EDO]B:405 |
3 |
1 |
184 |
f |
[CIT]B:401 |
x,y,z |
1_555 |
3 |
1 |
313 |
30.8 |
1.1 |
0.651 |
1 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[EDO]A:403 |
3 |
1 |
184 |
f |
[CIT]A:401 |
x,y,z |
1_555 |
3 |
1 |
315 |
30.0 |
0.7 |
0.608 |
1 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[GOL]B:407 |
3 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
16172 |
28.5 |
0.8 |
0.760 |
1 |
0 |
0 |
0.000 |
31 |
|
[GOL]A:406 |
2 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
15981 |
27.8 |
0.8 |
0.830 |
1 |
0 |
0 |
0.000 |
| Average: |
28.2 |
0.8 |
0.795 |
1 |
0 |
0 |
0.000 |
| 29 |
32 |
|
A |
3 |
1 |
16172 |
◊ |
[EDO]B:402 |
x,y-1,z |
1_545 |
3 |
1 |
186 |
27.1 |
1.3 |
0.952 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[GOL]A:406 |
1 |
1 |
220 |
f |
[EDO]A:403 |
x,y,z |
1_555 |
3 |
1 |
184 |
13.0 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
34 |
|
[GOL]B:407 |
1 |
1 |
220 |
f |
[EDO]B:405 |
x,y,z |
1_555 |
3 |
1 |
184 |
11.2 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
| Average: |
12.1 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[EDO]B:403 |
1 |
1 |
184 |
f |
[EDO]A:402 |
x,y,z |
1_555 |
1 |
1 |
182 |
2.8 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
B |
1 |
1 |
15981 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
16172 |
2.7 |
0.1 |
0.762 |
0 |
0 |
0 |
0.000 |
|