| ## |
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 |
147 |
35 |
7437 |
◊ |
A |
x,y,z |
1_555 |
145 |
36 |
7312 |
1258.7 |
-13.4 |
0.235 |
20 |
7 |
0 |
0.152 |
| 2 |
2 |
|
B |
37 |
11 |
7437 |
x |
B |
-y,x-y,z-1/3 |
2_554 |
35 |
9 |
7437 |
324.6 |
-2.5 |
0.489 |
2 |
0 |
0 |
0.000 |
3 |
|
A |
34 |
10 |
7312 |
x |
A |
-y,x-y+1,z-1/3 |
2_564 |
35 |
11 |
7312 |
320.9 |
-2.6 |
0.443 |
2 |
0 |
0 |
0.000 |
| Average: |
322.7 |
-2.5 |
0.466 |
2 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
20 |
5 |
7437 |
◊ |
A |
-y,x-y+1,z-1/3 |
2_564 |
26 |
8 |
7312 |
207.6 |
0.0 |
0.665 |
4 |
2 |
0 |
0.000 |
5 |
|
B |
26 |
8 |
7437 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
19 |
5 |
7312 |
207.2 |
-0.1 |
0.662 |
4 |
2 |
0 |
0.000 |
| Average: |
207.4 |
-0.0 |
0.663 |
4 |
2 |
0 |
0.000 |
| 4 |
6 |
|
[MMJ]B:307 |
15 |
1 |
417 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
7312 |
202.7 |
1.9 |
0.520 |
0 |
0 |
0 |
0.000 |
7 |
|
[MMJ]A:1007 |
15 |
1 |
418 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
7437 |
193.2 |
1.6 |
0.483 |
0 |
0 |
0 |
0.000 |
| Average: |
198.0 |
1.8 |
0.502 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[MMJ]B:307 |
15 |
1 |
417 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
7437 |
157.8 |
0.9 |
0.441 |
0 |
0 |
0 |
0.000 |
9 |
|
[MMJ]A:1007 |
15 |
1 |
418 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
7312 |
156.7 |
0.5 |
0.391 |
1 |
0 |
0 |
0.000 |
| Average: |
157.3 |
0.7 |
0.416 |
1 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[SO4]A:1004 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
7312 |
100.5 |
-13.3 |
0.886 |
2 |
0 |
0 |
0.093 |
| 7 |
11 |
|
[SO4]B:304 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
7437 |
95.5 |
-12.1 |
0.951 |
4 |
0 |
0 |
0.091 |
| 8 |
12 |
|
[SO4]A:1006 |
5 |
1 |
187 |
f |
A |
-y,x-y+1,z-1/3 |
2_564 |
10 |
5 |
7312 |
86.5 |
-12.4 |
0.789 |
2 |
0 |
0 |
0.087 |
| 9 |
13 |
|
[SO4]A:1005 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7312 |
80.1 |
-11.6 |
0.843 |
3 |
0 |
0 |
0.084 |
| 10 |
14 |
|
[SO4]B:305 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
7437 |
76.4 |
-10.8 |
0.885 |
4 |
0 |
0 |
0.082 |
| 11 |
15 |
|
[SO4]B:306 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7437 |
75.8 |
-11.2 |
0.662 |
3 |
0 |
0 |
0.082 |
| 12 |
16 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
7312 |
57.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.124 |
17 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
7437 |
57.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.124 |
| Average: |
57.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.124 |
| 13 |
18 |
|
B |
3 |
2 |
7437 |
◊ |
[SO4]A:1005 |
-y,x-y+1,z-1/3 |
2_564 |
4 |
1 |
186 |
48.9 |
-4.5 |
0.964 |
1 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[SO4]B:305 |
4 |
1 |
186 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
4 |
2 |
7312 |
47.5 |
-4.2 |
0.954 |
1 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[CD]B:302 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
7437 |
42.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.064 |
21 |
|
[CD]A:1002 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
7312 |
41.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
42.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.064 |
| 16 |
22 |
|
[SO4]A:1006 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
7312 |
41.4 |
-4.9 |
0.845 |
1 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[CD]B:301 |
1 |
1 |
112 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
7437 |
38.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.064 |
24 |
|
[CD]A:1001 |
1 |
1 |
112 |
cf |
A |
x,y,z |
1_555 |
6 |
3 |
7312 |
38.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
38.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.064 |
| 18 |
25 |
|
[SO4]B:306 |
4 |
1 |
187 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
6 |
1 |
7437 |
38.4 |
-4.8 |
0.881 |
1 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[CD]B:301 |
1 |
1 |
112 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
3 |
1 |
7312 |
30.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
3 |
1 |
7437 |
◊ |
[CD]A:1001 |
-y,x-y+1,z-1/3 |
2_564 |
1 |
1 |
112 |
28.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
29.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
[CD]A:1002 |
x,y,z |
1_555 |
1 |
1 |
112 |
23.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.028 |
| 21 |
29 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[CD]B:302 |
x,y,z |
1_555 |
1 |
1 |
112 |
23.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.028 |
| 22 |
30 |
|
A |
2 |
1 |
7312 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
7437 |
20.0 |
0.5 |
0.672 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
B |
7 |
2 |
7437 |
◊ |
[CD]A:1002 |
-y,x-y+1,z-1/3 |
2_564 |
1 |
1 |
112 |
17.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[CD]B:302 |
1 |
1 |
112 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
6 |
2 |
7312 |
17.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
17.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[CD]B:302 |
1 |
1 |
112 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
13.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| 25 |
34 |
|
[CD]A:1002 |
1 |
1 |
112 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
13.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| 26 |
35 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
| 27 |
36 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
| 28 |
37 |
|
[SO4]A:1005 |
1 |
1 |
186 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 29 |
38 |
|
[SO4]B:305 |
1 |
1 |
186 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
2.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
|