| ## |
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 |
157 |
39 |
7393 |
◊ |
A |
x,y,z |
1_555 |
155 |
38 |
7690 |
1407.5 |
-19.2 |
0.083 |
18 |
6 |
0 |
0.160 |
| 2 |
2 |
|
A |
37 |
11 |
7690 |
x |
A |
-y-1,x-y-1,z-1/3 |
2_444 |
33 |
10 |
7690 |
325.2 |
-3.1 |
0.400 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
35 |
11 |
7393 |
x |
B |
-y,x-y-1,z-1/3 |
2_544 |
34 |
9 |
7393 |
305.5 |
-2.8 |
0.444 |
2 |
0 |
0 |
0.000 |
| Average: |
315.3 |
-2.9 |
0.422 |
3 |
0 |
0 |
0.000 |
| 3 |
4 |
|
C |
22 |
4 |
857 |
◊ |
B |
x,y,z |
1_555 |
28 |
7 |
7393 |
230.2 |
-2.1 |
0.563 |
6 |
0 |
0 |
0.047 |
5 |
|
D |
20 |
4 |
848 |
◊ |
A |
x,y,z |
1_555 |
27 |
7 |
7690 |
229.9 |
-2.0 |
0.540 |
5 |
0 |
0 |
0.047 |
| Average: |
230.1 |
-2.0 |
0.552 |
6 |
0 |
0 |
0.047 |
| 4 |
6 |
|
B |
20 |
5 |
7393 |
◊ |
A |
-y-1,x-y-1,z-1/3 |
2_444 |
28 |
9 |
7690 |
202.8 |
-0.5 |
0.604 |
4 |
2 |
0 |
0.000 |
7 |
|
B |
27 |
9 |
7393 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
20 |
5 |
7690 |
196.8 |
-0.4 |
0.582 |
4 |
2 |
0 |
0.000 |
| Average: |
199.8 |
-0.5 |
0.593 |
4 |
2 |
0 |
0.000 |
| 5 |
8 |
|
D |
16 |
5 |
848 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
7393 |
170.2 |
-2.4 |
0.472 |
1 |
0 |
0 |
0.028 |
9 |
|
C |
15 |
3 |
857 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
7690 |
170.1 |
-2.1 |
0.497 |
1 |
0 |
0 |
0.028 |
| Average: |
170.1 |
-2.2 |
0.485 |
1 |
0 |
0 |
0.028 |
| 6 |
10 |
|
[SO4]A:1004 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
7690 |
103.6 |
-14.3 |
0.854 |
4 |
0 |
0 |
0.092 |
| 7 |
11 |
|
[SO4]B:304 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
7393 |
103.2 |
-14.1 |
0.862 |
5 |
0 |
0 |
0.093 |
| 8 |
12 |
|
[SO4]A:1006 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
7690 |
101.4 |
-14.6 |
0.749 |
4 |
0 |
0 |
0.093 |
| 9 |
13 |
|
[SO4]B:306 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
7393 |
100.7 |
-14.7 |
0.720 |
4 |
0 |
0 |
0.094 |
| 10 |
14 |
|
[SO4]B:305 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7393 |
82.1 |
-11.7 |
0.855 |
4 |
0 |
0 |
0.077 |
| 11 |
15 |
|
[SO4]A:1005 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
7690 |
80.1 |
-11.5 |
0.827 |
3 |
0 |
0 |
0.073 |
| 12 |
16 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
7393 |
57.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.107 |
17 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
7690 |
56.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
56.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.107 |
| 13 |
18 |
|
B |
6 |
2 |
7393 |
◊ |
[SO4]A:1005 |
-y-1,x-y-1,z-1/3 |
2_444 |
4 |
1 |
187 |
54.1 |
-5.3 |
0.946 |
2 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[CD]B:302 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
7393 |
42.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.110 |
20 |
|
[CD]A:1002 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
7690 |
41.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.110 |
21 |
|
[CD]B:301 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
7393 |
38.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.110 |
22 |
|
[CD]A:1001 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7690 |
37.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.110 |
| Average: |
39.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.110 |
| 15 |
23 |
|
[SO4]B:305 |
4 |
1 |
188 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
4 |
2 |
7690 |
35.1 |
-3.2 |
0.955 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[CD]B:301 |
1 |
1 |
112 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
3 |
1 |
7690 |
29.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
3 |
1 |
7393 |
◊ |
[CD]A:1001 |
-y-1,x-y-1,z-1/3 |
2_444 |
1 |
1 |
112 |
29.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
29.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
A |
3 |
2 |
7690 |
◊ |
[SO4]B:305 |
x-1,y,z |
1_455 |
3 |
1 |
188 |
24.1 |
-3.3 |
0.678 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
[CD]A:1002 |
x,y,z |
1_555 |
1 |
1 |
112 |
23.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 19 |
28 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[CD]B:302 |
x,y,z |
1_555 |
1 |
1 |
112 |
23.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 20 |
29 |
|
A |
2 |
1 |
7690 |
◊ |
[SO4]A:1006 |
-y-1,x-y-1,z-1/3 |
2_444 |
2 |
1 |
187 |
19.4 |
-2.7 |
0.569 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
A |
1 |
1 |
7690 |
◊ |
B |
x-1,y-1,z |
1_445 |
2 |
1 |
7393 |
18.8 |
0.7 |
0.731 |
0 |
0 |
0 |
0.000 |
31 |
|
A |
2 |
2 |
7690 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
7393 |
17.2 |
0.7 |
0.833 |
0 |
0 |
0 |
0.000 |
| Average: |
18.0 |
0.7 |
0.782 |
0 |
0 |
0 |
0.000 |
| 22 |
32 |
|
[CD]B:302 |
1 |
1 |
112 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
6 |
2 |
7690 |
17.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
|
B |
6 |
2 |
7393 |
◊ |
[CD]A:1002 |
-y-1,x-y-1,z-1/3 |
2_444 |
1 |
1 |
112 |
16.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
17.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
A |
2 |
1 |
7690 |
◊ |
C |
-y-1,x-y-1,z-1/3 |
2_444 |
2 |
1 |
857 |
16.0 |
-0.4 |
0.465 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
[CD]B:302 |
1 |
1 |
112 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
13.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 25 |
36 |
|
[CD]A:1002 |
1 |
1 |
112 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
12.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 26 |
37 |
|
[SO4]B:306 |
1 |
1 |
187 |
◊ |
B |
-y,x-y-1,z-1/3 |
2_544 |
3 |
1 |
7393 |
12.6 |
-1.5 |
0.759 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
[SO4]A:1005 |
1 |
1 |
187 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
7.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| 28 |
39 |
|
[SO4]B:305 |
1 |
1 |
188 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
6.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.007 |
| 29 |
40 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.006 |
| 30 |
41 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.006 |
|