| ## |
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 |
84 |
26 |
15264 |
◊ |
A |
x,y,z |
1_555 |
81 |
27 |
15280 |
712.3 |
-4.6 |
0.327 |
6 |
0 |
0 |
0.000 |
| 2 |
2 |
|
D |
46 |
8 |
1415 |
◊ |
B |
x,y,z |
1_555 |
77 |
24 |
15264 |
591.6 |
-5.1 |
0.582 |
15 |
1 |
0 |
0.157 |
| 3 |
3 |
|
C |
48 |
10 |
1313 |
◊ |
A |
x,y,z |
1_555 |
75 |
24 |
15280 |
557.4 |
-7.2 |
0.428 |
18 |
1 |
0 |
0.179 |
| 4 |
4 |
|
B |
41 |
11 |
15264 |
◊ |
A |
x-1,y,z-1 |
1_454 |
46 |
13 |
15280 |
383.2 |
-2.7 |
0.310 |
5 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
30 |
11 |
15264 |
◊ |
A |
x,y,z-1 |
1_554 |
30 |
10 |
15280 |
329.9 |
5.1 |
0.928 |
3 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
36 |
11 |
15280 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
13 |
15280 |
309.2 |
0.4 |
0.580 |
4 |
0 |
0 |
0.000 |
| 7 |
7 |
|
B |
33 |
11 |
15264 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
30 |
11 |
15280 |
266.5 |
-2.9 |
0.288 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
A |
27 |
11 |
15280 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
4 |
15264 |
193.1 |
3.2 |
0.757 |
2 |
2 |
0 |
0.000 |
| 9 |
9 |
|
[PG4]B:11 |
8 |
1 |
352 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
15264 |
120.2 |
0.8 |
0.259 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[SO4]B:1 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
15264 |
109.7 |
-15.2 |
0.811 |
3 |
0 |
0 |
0.218 |
| 11 |
11 |
|
[SO4]A:2 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
15280 |
105.2 |
-14.3 |
0.800 |
4 |
0 |
0 |
0.188 |
| 12 |
12 |
|
[PG4]B:11 |
7 |
1 |
352 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
15280 |
82.8 |
4.0 |
0.536 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[SO4]A:352 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
15280 |
78.8 |
-10.6 |
0.818 |
4 |
0 |
0 |
0.145 |
| 14 |
14 |
|
[SO4]B:3 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
15264 |
78.1 |
-10.4 |
0.835 |
5 |
0 |
0 |
0.166 |
| 15 |
15 |
|
D |
13 |
4 |
1415 |
f |
[SO4]A:7 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
74.5 |
-11.2 |
0.849 |
3 |
0 |
0 |
0.165 |
| 16 |
16 |
|
[SO4]A:6 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15280 |
73.3 |
-9.9 |
0.728 |
2 |
0 |
0 |
0.126 |
| 17 |
17 |
|
[SO4]B:5 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
15264 |
68.5 |
-8.1 |
0.922 |
2 |
0 |
0 |
0.119 |
| 18 |
18 |
|
[CL]A:3 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
15280 |
68.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.125 |
| 19 |
19 |
|
D |
7 |
3 |
1415 |
◊ |
A |
x,y,z-1 |
1_554 |
10 |
4 |
15280 |
63.8 |
0.3 |
0.674 |
1 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[NA]A:1 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
15280 |
63.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.164 |
21 |
|
[NA]B:2 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
15264 |
62.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.164 |
| Average: |
63.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.164 |
| 21 |
22 |
|
[EDO]A:8 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
15280 |
61.0 |
2.3 |
0.318 |
1 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[CL]A:4 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15280 |
60.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.098 |
| 23 |
24 |
|
[SO4]A:6 |
5 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
15264 |
52.6 |
-5.9 |
0.947 |
3 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[EDO]A:9 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15280 |
49.3 |
1.9 |
0.885 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[SO4]A:7 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
15280 |
45.4 |
-5.4 |
0.806 |
2 |
0 |
0 |
0.000 |
| 26 |
27 |
|
D |
4 |
2 |
1415 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
9 |
2 |
15280 |
44.2 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[EDO]A:10 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
15280 |
44.0 |
2.1 |
0.953 |
1 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]A:10 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
15264 |
42.8 |
1.2 |
0.922 |
2 |
0 |
0 |
0.000 |
| 29 |
30 |
|
B |
4 |
2 |
15264 |
◊ |
[SO4]A:7 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
41.5 |
-3.4 |
0.966 |
2 |
0 |
0 |
0.057 |
| 30 |
31 |
|
[EDO]A:8 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
15264 |
41.4 |
2.2 |
0.968 |
1 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[SO4]B:3 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
15280 |
37.1 |
-3.3 |
0.928 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
B |
5 |
3 |
15264 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
6 |
4 |
15280 |
36.0 |
0.7 |
0.700 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
B |
7 |
2 |
15264 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
2 |
1313 |
34.9 |
-0.2 |
0.462 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[SO4]A:352 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
15264 |
34.3 |
-3.1 |
0.929 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[PG4]B:11 |
3 |
1 |
352 |
f |
[EDO]A:10 |
x,y,z |
1_555 |
3 |
1 |
183 |
21.9 |
1.3 |
0.523 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
B |
2 |
2 |
15264 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
15264 |
19.6 |
0.0 |
0.452 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[CL]A:4 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
1313 |
12.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 38 |
39 |
|
[EDO]A:8 |
1 |
1 |
184 |
f |
[SO4]B:5 |
x,y,z |
1_555 |
1 |
1 |
186 |
5.3 |
-0.6 |
0.894 |
0 |
0 |
0 |
0.008 |
| 39 |
40 |
|
B |
1 |
1 |
15264 |
◊ |
[SO4]A:2 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
3.6 |
-0.4 |
0.880 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[SO4]B:5 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15280 |
3.4 |
-0.3 |
0.880 |
0 |
0 |
0 |
0.000 |
|