| ## |
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 |
181 |
51 |
14108 |
◊ |
A |
x,y,z |
1_555 |
185 |
54 |
13984 |
1753.4 |
-13.1 |
0.631 |
31 |
0 |
0 |
1.000 |
| 2 |
2 |
|
B |
41 |
11 |
14108 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
39 |
10 |
13984 |
374.8 |
-0.2 |
0.778 |
7 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
18 |
4 |
14108 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
10 |
14108 |
236.7 |
-3.2 |
0.252 |
2 |
0 |
0 |
0.000 |
4 |
|
A |
26 |
9 |
13984 |
x |
A |
-x,y-1/2,-z |
2_545 |
20 |
4 |
13984 |
235.5 |
-3.7 |
0.163 |
2 |
0 |
0 |
0.000 |
| Average: |
236.1 |
-3.5 |
0.208 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
13 |
4 |
13984 |
◊ |
B |
x-1,y,z |
1_455 |
29 |
13 |
14108 |
171.1 |
1.3 |
0.843 |
4 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
16 |
6 |
14108 |
x |
B |
x-1,y,z |
1_455 |
17 |
5 |
14108 |
140.0 |
-1.7 |
0.460 |
2 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
16 |
7 |
13984 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
6 |
14108 |
122.2 |
-1.5 |
0.477 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[EDO]A:601 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
6 |
13984 |
113.3 |
3.3 |
0.487 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]B:602 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
14108 |
110.1 |
2.4 |
0.445 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]A:602 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
13984 |
106.0 |
2.0 |
0.433 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]B:601 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
14108 |
105.8 |
2.1 |
0.464 |
2 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]B:604 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
22 |
6 |
14108 |
105.5 |
3.2 |
0.497 |
1 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[FUL]A:604 |
10 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13984 |
104.1 |
1.3 |
0.226 |
3 |
0 |
0 |
0.000 |
14 |
|
[FUL]B:606 |
10 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
14108 |
95.1 |
1.3 |
0.239 |
3 |
0 |
0 |
0.000 |
| Average: |
99.6 |
1.3 |
0.233 |
3 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[FUL]B:605 |
7 |
1 |
290 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
14108 |
97.7 |
2.1 |
0.487 |
1 |
0 |
0 |
0.000 |
16 |
|
[FUL]A:603 |
7 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
13984 |
97.5 |
2.2 |
0.534 |
1 |
0 |
0 |
0.000 |
| Average: |
97.6 |
2.1 |
0.510 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[FUL]A:604 |
6 |
1 |
290 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
14108 |
81.0 |
1.2 |
0.452 |
2 |
0 |
0 |
0.000 |
18 |
|
[FUL]B:606 |
7 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
13984 |
72.6 |
1.0 |
0.356 |
1 |
0 |
0 |
0.000 |
| Average: |
76.8 |
1.1 |
0.404 |
2 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[EDO]B:603 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
13984 |
80.5 |
1.4 |
0.185 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[EDO]B:603 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
14108 |
77.5 |
0.8 |
0.209 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[FUL]B:606 |
7 |
1 |
290 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
3 |
14108 |
74.5 |
1.1 |
0.404 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[NO3]A:605 |
4 |
1 |
162 |
f |
B |
x-1,y,z |
1_455 |
14 |
5 |
14108 |
63.4 |
0.2 |
0.429 |
2 |
0 |
0 |
0.047 |
| 19 |
23 |
|
A |
8 |
2 |
13984 |
◊ |
[FUL]A:604 |
x,y,z-1 |
1_554 |
7 |
1 |
290 |
61.3 |
1.1 |
0.284 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[FUL]A:603 |
6 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14108 |
55.9 |
1.4 |
0.403 |
0 |
0 |
0 |
0.000 |
25 |
|
[FUL]B:605 |
6 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
13984 |
54.7 |
1.4 |
0.399 |
0 |
0 |
0 |
0.000 |
| Average: |
55.3 |
1.4 |
0.401 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[NO3]A:605 |
4 |
1 |
162 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13984 |
41.2 |
0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[EDO]B:602 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
13984 |
37.8 |
0.4 |
0.322 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[FUL]B:605 |
4 |
1 |
290 |
f |
[FUL]A:603 |
x,y,z |
1_555 |
4 |
1 |
291 |
36.9 |
0.6 |
0.126 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[NO3]A:605 |
4 |
1 |
162 |
◊ |
[FUL]B:606 |
x,y,z |
1_555 |
5 |
1 |
290 |
35.2 |
1.1 |
0.411 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[FUL]A:603 |
1 |
1 |
291 |
f |
B |
x-1,y,z |
1_455 |
1 |
1 |
14108 |
7.1 |
0.2 |
0.386 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[EDO]A:602 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
14108 |
5.5 |
0.2 |
0.891 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[EDO]B:601 |
1 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13984 |
3.1 |
0.1 |
0.862 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
A |
1 |
1 |
13984 |
x |
A |
x,y,z-1 |
1_554 |
1 |
1 |
13984 |
1.0 |
-0.0 |
0.502 |
0 |
0 |
0 |
0.000 |
|