| ## |
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 |
68 |
20 |
4675 |
◊ |
A |
x,y,z |
1_555 |
66 |
19 |
4536 |
643.5 |
-8.0 |
0.324 |
7 |
1 |
0 |
0.156 |
| 2 |
2 |
|
B |
40 |
9 |
4675 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
52 |
13 |
4536 |
423.2 |
-3.4 |
0.562 |
8 |
3 |
0 |
0.091 |
| 3 |
3 |
|
A |
39 |
10 |
4536 |
◊ |
A |
-x,y,-z+1 |
2_556 |
38 |
10 |
4536 |
315.6 |
-5.0 |
0.306 |
6 |
0 |
0 |
0.117 |
| 4 |
4 |
|
B |
33 |
9 |
4675 |
◊ |
A |
x,y-1,z |
1_545 |
30 |
9 |
4536 |
293.8 |
-0.0 |
0.740 |
8 |
3 |
0 |
0.000 |
| 5 |
5 |
|
A |
25 |
6 |
4536 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
29 |
7 |
4675 |
223.7 |
-1.4 |
0.604 |
3 |
0 |
0 |
0.029 |
| 6 |
6 |
|
B |
14 |
4 |
4675 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
15 |
3 |
4675 |
140.2 |
-1.8 |
0.440 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
A |
13 |
7 |
4536 |
x |
A |
x,y-1,z |
1_545 |
13 |
6 |
4536 |
113.5 |
0.8 |
0.767 |
1 |
1 |
0 |
0.000 |
| 8 |
8 |
|
B |
8 |
4 |
4675 |
◊ |
A |
-x+1/2,y-3/2,-z+1 |
4_536 |
10 |
5 |
4536 |
110.4 |
0.1 |
0.631 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
B |
9 |
4 |
4675 |
x |
B |
x,y-1,z |
1_545 |
13 |
6 |
4675 |
102.9 |
0.1 |
0.691 |
1 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[ACT]B:207 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
4675 |
86.6 |
-0.5 |
0.629 |
0 |
0 |
0 |
0.008 |
| 11 |
11 |
|
[ACT]A:205 |
4 |
1 |
182 |
f |
A |
-x,y,-z+1 |
2_556 |
15 |
5 |
4536 |
75.4 |
-1.1 |
0.579 |
0 |
0 |
0 |
0.034 |
| 12 |
12 |
|
[SO4]B:201 |
5 |
1 |
185 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
10 |
4 |
4536 |
73.8 |
-8.4 |
0.929 |
4 |
0 |
0 |
0.312 |
| 13 |
13 |
|
[SO4]B:203 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
4675 |
72.5 |
-9.8 |
0.724 |
3 |
0 |
0 |
0.154 |
| 14 |
14 |
|
[ACT]B:206 |
4 |
1 |
184 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
6 |
4536 |
71.4 |
-0.7 |
0.606 |
0 |
0 |
0 |
0.009 |
| 15 |
15 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
4675 |
65.6 |
-8.8 |
0.783 |
3 |
0 |
0 |
0.140 |
| 16 |
16 |
|
[SO4]A:204 |
4 |
1 |
186 |
f |
A |
-x,y,-z+1 |
2_556 |
9 |
3 |
4536 |
59.0 |
-7.7 |
0.859 |
2 |
0 |
0 |
0.262 |
| 17 |
17 |
|
A |
4 |
2 |
4536 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
4536 |
58.3 |
-0.7 |
0.406 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[ACT]A:205 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
4536 |
53.6 |
-0.5 |
0.607 |
0 |
0 |
0 |
0.016 |
| 19 |
19 |
|
[ACT]A:208 |
4 |
1 |
182 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
6 |
3 |
4675 |
51.0 |
0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[CL]B:209 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
4675 |
50.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.097 |
| 21 |
21 |
|
[CL]B:209 |
1 |
1 |
125 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
3 |
4675 |
49.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 22 |
22 |
|
B |
4 |
1 |
4675 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
3 |
4675 |
47.1 |
-1.1 |
0.297 |
0 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[LI]B:211 |
1 |
1 |
130 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
4 |
4536 |
44.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.104 |
24 |
|
[LI]B:210 |
1 |
1 |
130 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
4675 |
39.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
41.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.104 |
| 24 |
25 |
|
[LI]B:211 |
1 |
1 |
130 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
4675 |
43.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.033 |
26 |
|
[LI]B:210 |
1 |
1 |
130 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
4536 |
26.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
35.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.033 |
| 25 |
27 |
|
[SO4]B:203 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
4536 |
40.1 |
-3.8 |
0.959 |
2 |
0 |
0 |
0.064 |
| 26 |
28 |
|
[SO4]A:204 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4536 |
39.6 |
-4.4 |
0.770 |
1 |
0 |
0 |
0.150 |
| 27 |
29 |
|
[SO4]B:201 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4675 |
37.9 |
-5.0 |
0.854 |
0 |
0 |
0 |
0.062 |
| 28 |
30 |
|
[ACT]A:208 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
4536 |
33.3 |
0.3 |
0.748 |
1 |
0 |
0 |
0.004 |
| 29 |
31 |
|
[ACT]B:206 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
4675 |
32.4 |
-0.0 |
0.697 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[ACT]B:206 |
3 |
1 |
184 |
◊ |
[SO4]B:201 |
x,y,z |
1_555 |
4 |
1 |
185 |
30.9 |
-4.2 |
0.770 |
0 |
0 |
0 |
0.052 |
| 31 |
33 |
|
[ACT]B:207 |
3 |
1 |
183 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
4536 |
28.9 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[LI]B:210 |
1 |
1 |
130 |
f |
[ACT]B:206 |
x,y,z |
1_555 |
3 |
1 |
184 |
23.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.018 |
| 33 |
35 |
|
B |
2 |
1 |
4675 |
◊ |
[ACT]A:205 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
182 |
22.4 |
0.6 |
0.887 |
1 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[LI]B:211 |
1 |
1 |
130 |
◊ |
[ACT]B:207 |
x,y,z |
1_555 |
3 |
1 |
183 |
21.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| 35 |
37 |
|
[LI]B:210 |
1 |
1 |
130 |
◊ |
[SO4]B:201 |
x,y,z |
1_555 |
4 |
1 |
185 |
21.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| 36 |
38 |
|
[ACT]A:208 |
3 |
1 |
182 |
◊ |
A |
-x,y,-z+1 |
2_556 |
4 |
2 |
4536 |
17.0 |
-0.1 |
0.733 |
0 |
0 |
0 |
0.003 |
| 37 |
39 |
|
[ACT]A:208 |
2 |
1 |
182 |
◊ |
[ACT]B:207 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
183 |
15.5 |
0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[ACT]B:207 |
3 |
1 |
183 |
f |
[ACT]B:206 |
x,y,z |
1_555 |
2 |
1 |
184 |
7.5 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
A |
2 |
1 |
4536 |
◊ |
[ACT]B:207 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
183 |
5.5 |
0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
A |
2 |
1 |
4536 |
◊ |
[SO4]B:202 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
186 |
4.2 |
-0.5 |
0.844 |
0 |
0 |
0 |
0.005 |
| 41 |
43 |
|
[ACT]B:206 |
1 |
1 |
184 |
◊ |
[ACT]A:205 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
182 |
1.7 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|