| ## |
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 |
90 |
32 |
13366 |
◊ |
A |
x,y,z |
1_555 |
88 |
29 |
13171 |
794.4 |
-8.3 |
0.184 |
8 |
2 |
0 |
0.000 |
| 2 |
2 |
|
B |
71 |
13 |
13366 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
3_544 |
81 |
26 |
13171 |
711.8 |
-6.9 |
0.237 |
4 |
2 |
0 |
0.000 |
| 3 |
3 |
|
B |
50 |
17 |
13366 |
x |
B |
x,y,z-1 |
1_554 |
46 |
17 |
13366 |
419.7 |
-0.8 |
0.576 |
1 |
0 |
0 |
0.000 |
4 |
|
A |
34 |
11 |
13171 |
x |
A |
x,y,z-1 |
1_554 |
51 |
19 |
13171 |
403.8 |
-0.6 |
0.577 |
1 |
0 |
0 |
0.000 |
| Average: |
411.8 |
-0.7 |
0.576 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[FXW]A:301 |
29 |
1 |
654 |
f |
B |
x,y,z |
1_555 |
38 |
13 |
13366 |
282.4 |
-0.1 |
0.239 |
0 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[FXW]A:301 |
29 |
1 |
654 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
13171 |
280.8 |
1.8 |
0.343 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
30 |
9 |
13171 |
◊ |
A |
-x,-y+3,z |
2_585 |
30 |
9 |
13171 |
236.9 |
-2.2 |
0.394 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
25 |
7 |
13171 |
◊ |
B |
x-1/2,-y+5/2,-z-1 |
4_474 |
29 |
11 |
13366 |
194.5 |
0.9 |
0.687 |
0 |
2 |
0 |
0.000 |
| 8 |
9 |
|
B |
20 |
8 |
13366 |
x |
B |
x-1/2,-y+5/2,-z-1 |
4_474 |
13 |
3 |
13366 |
154.2 |
-0.1 |
0.533 |
0 |
1 |
0 |
0.000 |
| 9 |
10 |
|
[PEG]B:307 |
7 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
13366 |
119.6 |
3.6 |
0.346 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
13366 |
107.2 |
-15.6 |
0.832 |
4 |
0 |
0 |
0.037 |
| 11 |
12 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
13171 |
106.6 |
-15.0 |
0.842 |
4 |
0 |
0 |
0.043 |
| 12 |
13 |
|
[PEG]A:310 |
7 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
13171 |
105.0 |
2.2 |
0.264 |
1 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[GOL]A:305 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
13171 |
99.9 |
0.9 |
0.675 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[GOL]B:305 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
13366 |
96.5 |
0.0 |
0.579 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[GOL]B:306 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
13366 |
91.3 |
-0.2 |
0.529 |
1 |
0 |
0 |
0.001 |
| 16 |
17 |
|
[GOL]A:306 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
13171 |
91.3 |
0.4 |
0.668 |
1 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[ACT]A:314 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13171 |
87.8 |
0.1 |
0.675 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[GOL]A:307 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13171 |
80.2 |
0.5 |
0.611 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[GOL]A:309 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13171 |
75.9 |
0.3 |
0.627 |
1 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[ACT]A:315 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13171 |
75.6 |
-0.1 |
0.723 |
1 |
0 |
0 |
0.001 |
| 21 |
22 |
|
A |
12 |
3 |
13171 |
◊ |
[GOL]A:308 |
x,y,z-1 |
1_554 |
6 |
1 |
216 |
72.5 |
-0.9 |
0.389 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[ACT]A:313 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13171 |
72.2 |
-0.4 |
0.626 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[SO4]B:303 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13366 |
67.4 |
-9.2 |
0.796 |
1 |
0 |
0 |
0.021 |
| 24 |
25 |
|
[GOL]A:308 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13171 |
65.6 |
0.3 |
0.658 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[ACT]A:312 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
13366 |
62.5 |
0.3 |
0.698 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[SO4]B:302 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
13366 |
61.1 |
-7.2 |
0.880 |
1 |
0 |
0 |
0.017 |
| 27 |
28 |
|
[CL]A:311 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13171 |
59.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.021 |
| 28 |
29 |
|
[CL]B:308 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13366 |
57.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.016 |
| 29 |
30 |
|
[SO4]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13171 |
56.4 |
-7.2 |
0.858 |
1 |
0 |
0 |
0.019 |
| 30 |
31 |
|
B |
5 |
2 |
13366 |
◊ |
[GOL]A:306 |
-x+1/2,y-1/2,-z-1 |
3_544 |
5 |
1 |
220 |
55.1 |
1.6 |
0.851 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[GOL]B:306 |
4 |
1 |
216 |
◊ |
B |
x,y,z-1 |
1_554 |
10 |
7 |
13366 |
47.9 |
-0.3 |
0.507 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[CL]B:309 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
13366 |
44.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| 33 |
34 |
|
[SO4]B:303 |
4 |
1 |
184 |
◊ |
B |
x-1/2,-y+5/2,-z-1 |
4_474 |
4 |
3 |
13366 |
38.0 |
-4.8 |
0.509 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
B |
7 |
4 |
13366 |
◊ |
A |
-x+1,-y+3,z |
2_685 |
7 |
6 |
13171 |
37.6 |
0.7 |
0.751 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[ACT]A:312 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
13171 |
36.4 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[ACT]A:313 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
13366 |
35.0 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[ACT]A:315 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
13366 |
34.9 |
1.1 |
0.874 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
B |
2 |
1 |
13366 |
◊ |
A |
-x+1/2,y-1/2,-z-2 |
3_543 |
3 |
1 |
13171 |
34.0 |
0.7 |
0.857 |
0 |
2 |
0 |
0.000 |
| 39 |
40 |
|
[ACT]A:314 |
2 |
1 |
182 |
f |
[GOL]A:305 |
x,y,z |
1_555 |
2 |
1 |
221 |
33.1 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
A |
2 |
1 |
13171 |
◊ |
[SO4]A:304 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
32.7 |
-3.0 |
0.971 |
1 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[SO4]B:302 |
4 |
1 |
184 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
3_544 |
2 |
1 |
13171 |
32.6 |
-2.6 |
0.970 |
0 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[GOL]A:308 |
2 |
1 |
216 |
f |
[SO4]A:304 |
x,y,z |
1_555 |
3 |
1 |
185 |
23.3 |
-3.0 |
0.551 |
0 |
0 |
0 |
0.008 |
| 43 |
44 |
|
B |
4 |
1 |
13366 |
◊ |
[PEG]A:310 |
-x+1/2,y-1/2,-z-2 |
3_543 |
4 |
1 |
255 |
21.7 |
0.7 |
0.272 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[ACT]A:314 |
3 |
1 |
182 |
f |
[SO4]A:303 |
x,y,z |
1_555 |
1 |
1 |
185 |
19.9 |
-2.2 |
0.837 |
0 |
0 |
0 |
0.006 |
| 45 |
46 |
|
[GOL]B:305 |
3 |
1 |
216 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
3_544 |
2 |
1 |
13171 |
15.5 |
-0.3 |
0.518 |
0 |
0 |
0 |
0.000 |
| 46 |
47 |
|
[PEG]A:310 |
3 |
1 |
255 |
◊ |
[GOL]A:306 |
x,y,z |
1_555 |
2 |
1 |
220 |
14.2 |
0.3 |
0.270 |
0 |
0 |
0 |
0.000 |
| 47 |
48 |
|
[GOL]A:305 |
1 |
1 |
221 |
f |
[SO4]A:303 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.1 |
-0.9 |
0.632 |
0 |
0 |
0 |
0.002 |
| 48 |
49 |
|
B |
2 |
1 |
13366 |
f |
[PEG]A:310 |
-x+1/2,y-1/2,-z-1 |
3_544 |
1 |
1 |
255 |
6.8 |
-0.3 |
0.247 |
0 |
0 |
0 |
0.000 |
| 49 |
50 |
|
[GOL]A:307 |
2 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13366 |
6.1 |
0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
| 50 |
51 |
|
[GOL]A:309 |
2 |
1 |
218 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
13171 |
5.1 |
0.0 |
0.664 |
0 |
0 |
0 |
0.000 |
| 51 |
52 |
|
[CL]B:309 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13171 |
3.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 52 |
53 |
|
B |
1 |
1 |
13366 |
◊ |
[GOL]A:306 |
-x+1/2,y-1/2,-z-2 |
3_543 |
1 |
1 |
220 |
2.2 |
0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
| 53 |
54 |
|
[CL]B:308 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
3_544 |
1 |
1 |
13171 |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 54 |
55 |
|
[PEG]B:307 |
1 |
1 |
254 |
f |
[SO4]B:304 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.2 |
-0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
|