| ## |
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 |
75 |
21 |
14806 |
◊ |
A |
x,y,z |
1_555 |
75 |
21 |
14909 |
660.7 |
-7.0 |
0.165 |
12 |
7 |
0 |
0.127 |
| 2 |
2 |
|
B |
55 |
22 |
14806 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
51 |
17 |
14909 |
517.1 |
0.0 |
0.605 |
6 |
2 |
0 |
0.003 |
| 3 |
3 |
|
A |
56 |
15 |
14909 |
x |
A |
x-1,y,z |
1_455 |
55 |
17 |
14909 |
490.3 |
-0.0 |
0.572 |
10 |
0 |
0 |
0.000 |
4 |
|
B |
51 |
16 |
14806 |
x |
B |
x-1,y,z |
1_455 |
56 |
14 |
14806 |
475.7 |
-0.1 |
0.573 |
11 |
0 |
0 |
0.000 |
| Average: |
483.0 |
-0.0 |
0.572 |
11 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[5IP]B:403 |
30 |
1 |
580 |
f |
B |
x,y,z |
1_555 |
43 |
19 |
14806 |
371.3 |
-10.5 |
0.773 |
12 |
0 |
0 |
0.306 |
6 |
|
[5IP]A:401 |
29 |
1 |
580 |
f |
A |
x,y,z |
1_555 |
41 |
18 |
14909 |
353.1 |
-11.0 |
0.691 |
12 |
0 |
0 |
0.306 |
| Average: |
362.2 |
-10.8 |
0.732 |
12 |
0 |
0 |
0.306 |
| 5 |
7 |
|
B |
23 |
7 |
14806 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
23 |
9 |
14909 |
243.4 |
-2.6 |
0.205 |
2 |
2 |
0 |
0.000 |
| 6 |
8 |
|
[GOL]A:1001 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
14909 |
142.3 |
-1.0 |
0.427 |
2 |
0 |
0 |
0.036 |
9 |
|
[GOL]B:1000 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
14806 |
142.2 |
-1.0 |
0.427 |
2 |
0 |
0 |
0.036 |
| Average: |
142.2 |
-1.0 |
0.427 |
2 |
0 |
0 |
0.036 |
| 7 |
10 |
|
[GOL]B:1003 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
14806 |
136.3 |
-0.7 |
0.466 |
2 |
0 |
0 |
0.015 |
| 8 |
11 |
|
[GOL]A:1002 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
14909 |
135.1 |
-0.2 |
0.526 |
3 |
0 |
0 |
0.015 |
| 9 |
12 |
|
[GOL]B:1006 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
14806 |
123.9 |
-0.4 |
0.510 |
2 |
0 |
0 |
0.027 |
13 |
|
[GOL]A:1007 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
14909 |
116.6 |
-1.1 |
0.410 |
1 |
0 |
0 |
0.027 |
| Average: |
120.2 |
-0.8 |
0.460 |
2 |
0 |
0 |
0.027 |
| 10 |
14 |
|
[GOL]B:1005 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14806 |
116.2 |
-0.7 |
0.453 |
1 |
0 |
0 |
0.010 |
| 11 |
15 |
|
[ACT]B:1008 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
14806 |
115.7 |
-0.8 |
0.577 |
3 |
0 |
0 |
0.042 |
16 |
|
[ACT]A:1009 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
14909 |
115.2 |
-0.9 |
0.568 |
3 |
0 |
0 |
0.042 |
| Average: |
115.4 |
-0.9 |
0.572 |
3 |
0 |
0 |
0.042 |
| 12 |
17 |
|
[GOL]A:1004 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
14909 |
111.4 |
-0.6 |
0.471 |
2 |
0 |
0 |
0.015 |
| 13 |
18 |
|
[PO4]B:402 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
14806 |
91.3 |
-5.3 |
0.822 |
9 |
0 |
0 |
0.177 |
19 |
|
[PO4]A:400 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14909 |
90.9 |
-5.3 |
0.818 |
9 |
0 |
0 |
0.177 |
| Average: |
91.1 |
-5.3 |
0.820 |
9 |
0 |
0 |
0.177 |
| 14 |
20 |
|
[ACT]A:1011 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
14806 |
70.0 |
-0.3 |
0.570 |
2 |
0 |
0 |
0.011 |
| 15 |
21 |
|
[ACT]A:1011 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
14909 |
69.7 |
-1.0 |
0.582 |
0 |
0 |
0 |
0.010 |
| 16 |
22 |
|
[CL]B:1012 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
14806 |
65.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.145 |
23 |
|
[CL]B:1013 |
1 |
1 |
125 |
f |
A |
-x,y-1/2,-z+1 |
2_546 |
7 |
4 |
14909 |
59.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.145 |
| Average: |
62.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.145 |
| 17 |
24 |
|
[GOL]B:1005 |
5 |
1 |
221 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
4 |
14806 |
60.9 |
0.4 |
0.616 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
A |
11 |
5 |
14909 |
◊ |
[GOL]A:1004 |
x-1,y,z |
1_455 |
5 |
1 |
218 |
60.5 |
0.3 |
0.600 |
1 |
0 |
0 |
0.000 |
| 19 |
26 |
|
B |
8 |
4 |
14806 |
f |
[ACT]A:1010 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
182 |
52.9 |
0.2 |
0.775 |
1 |
0 |
0 |
0.002 |
| 20 |
27 |
|
[ACT]A:1010 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
14909 |
49.7 |
0.5 |
0.731 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[CL]B:1013 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14806 |
47.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.009 |
29 |
|
[CL]B:1012 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
4 |
3 |
14909 |
28.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
37.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 22 |
30 |
|
[5IP]B:403 |
6 |
1 |
580 |
f |
[PO4]B:402 |
x,y,z |
1_555 |
4 |
1 |
187 |
42.0 |
-2.3 |
0.932 |
0 |
0 |
0 |
0.044 |
31 |
|
[5IP]A:401 |
6 |
1 |
580 |
f |
[PO4]A:400 |
x,y,z |
1_555 |
4 |
1 |
186 |
41.9 |
-2.3 |
0.937 |
0 |
0 |
0 |
0.044 |
| Average: |
41.9 |
-2.3 |
0.935 |
0 |
0 |
0 |
0.044 |
| 23 |
32 |
|
[GOL]A:1002 |
4 |
1 |
219 |
f |
[5IP]A:401 |
x,y,z |
1_555 |
4 |
1 |
580 |
38.7 |
-0.4 |
0.666 |
2 |
0 |
0 |
0.013 |
| 24 |
33 |
|
[GOL]B:1003 |
4 |
1 |
219 |
f |
[5IP]B:403 |
x,y,z |
1_555 |
4 |
1 |
580 |
36.4 |
-0.2 |
0.721 |
1 |
0 |
0 |
0.006 |
| 25 |
34 |
|
B |
4 |
2 |
14806 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
14909 |
27.7 |
0.6 |
0.776 |
0 |
0 |
0 |
0.000 |
|