## |
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 |
82 |
23 |
12687 |
◊ |
A |
x,y,z |
1_555 |
80 |
24 |
12806 |
779.1 |
-8.4 |
0.157 |
7 |
0 |
0 |
0.074 |
2 |
2 |
|
B |
58 |
16 |
12687 |
x |
B |
x-1,y,z |
1_455 |
58 |
16 |
12687 |
515.2 |
-2.9 |
0.412 |
7 |
1 |
0 |
0.000 |
3 |
|
A |
57 |
16 |
12806 |
x |
A |
x-1,y,z |
1_455 |
58 |
16 |
12806 |
497.0 |
-3.0 |
0.415 |
4 |
1 |
0 |
0.000 |
Average: |
506.1 |
-3.0 |
0.414 |
6 |
1 |
0 |
0.000 |
3 |
4 |
|
A |
38 |
11 |
12806 |
◊ |
B |
x,y-1,z |
1_545 |
37 |
10 |
12687 |
344.9 |
0.6 |
0.627 |
3 |
1 |
0 |
0.000 |
4 |
5 |
|
B |
33 |
11 |
12687 |
x |
B |
-x,y-1/2,-z |
2_545 |
30 |
12 |
12687 |
259.1 |
4.0 |
0.865 |
6 |
3 |
0 |
0.000 |
5 |
6 |
|
[8VE]B:309 |
15 |
1 |
353 |
f |
B |
x,y,z |
1_555 |
44 |
17 |
12687 |
248.9 |
5.6 |
0.519 |
11 |
0 |
0 |
0.000 |
7 |
|
[8VE]A:307 |
15 |
1 |
351 |
f |
A |
x,y,z |
1_555 |
43 |
16 |
12806 |
247.7 |
5.6 |
0.533 |
9 |
0 |
0 |
0.000 |
Average: |
248.3 |
5.6 |
0.526 |
10 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
31 |
10 |
12687 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
23 |
6 |
12687 |
222.3 |
-2.5 |
0.252 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
18 |
5 |
12806 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
27 |
10 |
12806 |
195.8 |
-0.3 |
0.468 |
6 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
17 |
8 |
12806 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
17 |
5 |
12687 |
180.8 |
1.8 |
0.822 |
4 |
3 |
0 |
0.000 |
9 |
11 |
|
A |
24 |
6 |
12806 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
21 |
5 |
12806 |
173.9 |
0.5 |
0.514 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
[GOL]A:306 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
12806 |
126.7 |
-0.1 |
0.570 |
3 |
0 |
0 |
0.009 |
11 |
13 |
|
[GOL]B:308 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
12687 |
121.6 |
-1.5 |
0.361 |
2 |
0 |
0 |
0.015 |
12 |
14 |
|
[ACT]B:310 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12687 |
98.7 |
2.2 |
0.882 |
2 |
0 |
0 |
0.000 |
13 |
15 |
|
[SO4]B:301 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
12687 |
94.7 |
-13.7 |
0.857 |
3 |
0 |
0 |
0.096 |
14 |
16 |
|
[SO4]B:305 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
12687 |
88.2 |
-13.1 |
0.792 |
3 |
0 |
0 |
0.092 |
15 |
17 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12806 |
87.8 |
-11.9 |
0.869 |
3 |
0 |
0 |
0.085 |
16 |
18 |
|
[SO4]B:303 |
5 |
1 |
184 |
f |
B |
x-1,y,z |
1_455 |
13 |
5 |
12687 |
79.8 |
-10.7 |
0.800 |
2 |
0 |
0 |
0.074 |
17 |
19 |
|
[SO4]A:301 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
12687 |
75.9 |
-10.5 |
0.755 |
1 |
0 |
0 |
0.070 |
18 |
20 |
|
[SO4]B:304 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12687 |
74.1 |
-10.0 |
0.811 |
2 |
0 |
0 |
0.070 |
19 |
21 |
|
A |
11 |
2 |
12806 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
8 |
2 |
12687 |
73.9 |
-0.7 |
0.469 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12806 |
71.4 |
-9.8 |
0.777 |
1 |
0 |
0 |
0.065 |
21 |
23 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
12806 |
69.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.120 |
24 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
12687 |
66.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
67.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.120 |
22 |
25 |
|
[SO4]A:302 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
12687 |
56.2 |
-7.5 |
0.643 |
2 |
0 |
0 |
0.054 |
23 |
26 |
|
[SO4]A:301 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12806 |
53.8 |
-7.7 |
0.634 |
1 |
0 |
0 |
0.052 |
24 |
27 |
|
[CL]B:307 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12687 |
51.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.081 |
28 |
|
[CL]A:305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12806 |
47.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
49.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.081 |
25 |
29 |
|
[SO4]B:302 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
12687 |
51.5 |
-6.3 |
0.880 |
2 |
0 |
0 |
0.046 |
26 |
30 |
|
[SO4]B:303 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12687 |
49.8 |
-6.2 |
0.547 |
2 |
0 |
0 |
0.000 |
27 |
31 |
|
B |
5 |
2 |
12687 |
◊ |
[SO4]B:305 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
185 |
43.9 |
-4.4 |
0.865 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
A |
3 |
1 |
12806 |
◊ |
[SO4]B:302 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
185 |
35.7 |
-3.4 |
0.943 |
1 |
0 |
0 |
0.000 |
29 |
33 |
|
[CL]B:306 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
2 |
12687 |
32.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[CL]A:304 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
12687 |
21.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12687 |
19.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.020 |
36 |
|
[CL]B:307 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12806 |
7.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
13.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.020 |
32 |
37 |
|
B |
3 |
2 |
12687 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
12806 |
12.2 |
0.3 |
0.757 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
B |
1 |
1 |
12687 |
◊ |
[SO4]B:301 |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
186 |
0.5 |
-0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
|