| ## |
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 |
58 |
15 |
9462 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
65 |
18 |
9466 |
570.7 |
-3.9 |
0.604 |
7 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
54 |
16 |
9462 |
◊ |
A |
x,y,z |
1_555 |
53 |
18 |
9466 |
556.9 |
-6.9 |
0.314 |
1 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
65 |
19 |
9462 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
52 |
14 |
9466 |
547.8 |
-1.9 |
0.729 |
9 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
35 |
12 |
9462 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
12 |
9466 |
371.7 |
-2.5 |
0.587 |
6 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[DTT]B:507 |
7 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
9462 |
142.6 |
-2.6 |
0.555 |
5 |
0 |
0 |
0.013 |
| 6 |
6 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
9462 |
129.1 |
2.7 |
0.573 |
3 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[EDO]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
9466 |
119.5 |
2.1 |
0.321 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[EDO]B:501 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
9462 |
119.0 |
3.2 |
0.442 |
3 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[EDO]A:505 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
9466 |
110.7 |
2.7 |
0.447 |
1 |
0 |
0 |
0.000 |
10 |
|
[EDO]B:502 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
9462 |
109.4 |
2.8 |
0.424 |
1 |
0 |
0 |
0.000 |
| Average: |
110.1 |
2.7 |
0.436 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
9466 |
108.5 |
2.9 |
0.467 |
3 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]B:506 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
9462 |
104.5 |
4.0 |
0.540 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]A:501 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
9466 |
104.3 |
3.6 |
0.743 |
4 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
9462 |
91.7 |
2.7 |
0.495 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[TRS]A:506 |
7 |
1 |
250 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
9466 |
87.4 |
1.6 |
0.835 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]A:503 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
9466 |
86.4 |
2.1 |
0.283 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]B:505 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
9462 |
86.1 |
2.1 |
0.299 |
5 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[DTT]B:507 |
4 |
1 |
290 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
9 |
5 |
9466 |
56.9 |
-0.8 |
0.640 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[ZN]B:508 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
9462 |
43.3 |
-33.0 |
0.000 |
0 |
0 |
0 |
0.088 |
20 |
|
[ZN]A:507 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
9466 |
38.0 |
-28.9 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
40.7 |
-30.9 |
0.000 |
0 |
0 |
0 |
0.088 |
| 19 |
21 |
|
B |
3 |
1 |
9462 |
◊ |
[TRS]A:506 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
250 |
40.4 |
1.7 |
0.968 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]A:503 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
1 |
9462 |
38.1 |
0.2 |
0.596 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[EDO]B:505 |
2 |
1 |
183 |
f |
[EDO]B:504 |
x,y,z |
1_555 |
2 |
1 |
184 |
30.3 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[EDO]A:503 |
3 |
1 |
184 |
◊ |
[EDO]A:502 |
x,y,z |
1_555 |
4 |
1 |
183 |
30.2 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[EDO]A:502 |
2 |
1 |
183 |
f |
[EDO]A:501 |
x,y,z |
1_555 |
2 |
1 |
184 |
16.9 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[ZN]A:507 |
1 |
1 |
98 |
f |
[EDO]A:504 |
x,y,z |
1_555 |
2 |
1 |
183 |
16.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| 25 |
27 |
|
[ZN]B:508 |
1 |
1 |
98 |
f |
[EDO]B:503 |
x,y,z |
1_555 |
1 |
1 |
184 |
15.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| 26 |
28 |
|
A |
1 |
1 |
9466 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
9462 |
11.6 |
0.5 |
0.896 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[ZN]A:507 |
1 |
1 |
98 |
f |
[EDO]A:501 |
x,y,z |
1_555 |
2 |
1 |
184 |
10.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.012 |
| 28 |
30 |
|
[ZN]B:509 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
9466 |
10.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.012 |
31 |
|
[ZN]A:508 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
9462 |
9.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
9.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.012 |
| 29 |
32 |
|
[EDO]B:506 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
9466 |
9.1 |
0.2 |
0.509 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
B |
2 |
1 |
9462 |
◊ |
[EDO]A:504 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
183 |
6.0 |
0.1 |
0.843 |
0 |
0 |
0 |
0.000 |
|