| ## |
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 |
186 |
56 |
17790 |
◊ |
A |
x,y,z |
1_555 |
200 |
67 |
11289 |
1807.8 |
-23.4 |
0.073 |
19 |
12 |
0 |
0.390 |
2 |
|
E |
190 |
57 |
17596 |
◊ |
D |
x,y,z |
1_555 |
197 |
65 |
11308 |
1799.8 |
-23.9 |
0.068 |
20 |
12 |
0 |
0.390 |
| Average: |
1803.8 |
-23.6 |
0.071 |
20 |
12 |
0 |
0.390 |
| 2 |
3 |
|
E |
89 |
27 |
17596 |
◊ |
B |
x,y,z |
1_555 |
96 |
31 |
17790 |
852.8 |
5.2 |
0.935 |
12 |
12 |
0 |
0.009 |
| 3 |
4 |
|
[COA]D:1301 |
44 |
1 |
979 |
f |
D |
x,y,z |
1_555 |
82 |
29 |
11308 |
572.1 |
0.2 |
0.517 |
10 |
0 |
0 |
0.048 |
5 |
|
[COA]A:1300 |
45 |
1 |
978 |
f |
A |
x,y,z |
1_555 |
79 |
29 |
11289 |
570.3 |
0.1 |
0.507 |
9 |
0 |
0 |
0.048 |
| Average: |
571.2 |
0.1 |
0.512 |
10 |
0 |
0 |
0.048 |
| 4 |
6 |
|
B |
50 |
10 |
17790 |
◊ |
A |
y,x,-z+1/4 |
7_555 |
60 |
16 |
11289 |
529.3 |
-6.9 |
0.175 |
5 |
4 |
0 |
0.105 |
7 |
|
E |
49 |
10 |
17596 |
◊ |
D |
y,x,-z+1/4 |
7_555 |
58 |
16 |
11308 |
524.0 |
-6.9 |
0.168 |
6 |
5 |
0 |
0.105 |
| Average: |
526.7 |
-6.9 |
0.171 |
6 |
5 |
0 |
0.105 |
| 5 |
8 |
|
E |
36 |
12 |
17596 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
43 |
15 |
17790 |
347.6 |
-3.1 |
0.391 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
E |
26 |
9 |
17596 |
◊ |
A |
y-1,x,-z+1/4 |
7_455 |
39 |
15 |
11289 |
289.6 |
-3.9 |
0.276 |
1 |
1 |
0 |
0.000 |
| 7 |
10 |
|
B |
35 |
12 |
17790 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
35 |
12 |
17790 |
282.1 |
-0.6 |
0.618 |
4 |
2 |
0 |
0.000 |
| 8 |
11 |
|
D |
28 |
12 |
11308 |
◊ |
B |
x,y-1,z |
1_545 |
25 |
7 |
17790 |
225.3 |
-1.5 |
0.512 |
3 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[COA]B:1325 |
12 |
1 |
524 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
17790 |
192.0 |
1.0 |
0.363 |
7 |
0 |
0 |
0.023 |
| 10 |
13 |
|
[COA]A:1300 |
20 |
1 |
978 |
◊ |
E |
x,y,z |
1_555 |
23 |
5 |
17596 |
191.0 |
-1.1 |
0.466 |
7 |
0 |
0 |
0.035 |
14 |
|
[COA]D:1301 |
21 |
1 |
979 |
◊ |
B |
x,y,z |
1_555 |
22 |
5 |
17790 |
188.2 |
-1.0 |
0.460 |
5 |
0 |
0 |
0.035 |
| Average: |
189.6 |
-1.1 |
0.463 |
6 |
0 |
0 |
0.035 |
| 11 |
15 |
|
E |
22 |
7 |
17596 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
11289 |
189.4 |
0.6 |
0.617 |
2 |
2 |
0 |
0.008 |
16 |
|
B |
21 |
7 |
17790 |
◊ |
D |
x,y,z |
1_555 |
24 |
11 |
11308 |
183.5 |
0.7 |
0.651 |
3 |
2 |
0 |
0.008 |
| Average: |
186.5 |
0.6 |
0.634 |
3 |
2 |
0 |
0.008 |
| 12 |
17 |
|
[COA]E:1325 |
9 |
1 |
336 |
f |
E |
x,y,z |
1_555 |
20 |
9 |
17596 |
181.2 |
0.8 |
0.486 |
5 |
0 |
0 |
0.016 |
| 13 |
18 |
|
[GOL]A:1700 |
6 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
11289 |
132.4 |
-0.2 |
0.554 |
7 |
0 |
0 |
0.037 |
| 14 |
19 |
|
[SO4]E:1401 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
15 |
10 |
17596 |
103.3 |
-15.6 |
0.830 |
5 |
0 |
0 |
0.201 |
| 15 |
20 |
|
[SO4]B:1400 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
17790 |
98.6 |
-15.1 |
0.812 |
5 |
0 |
0 |
0.190 |
| 16 |
21 |
|
E |
8 |
2 |
17596 |
◊ |
E |
y,x,-z+1/4 |
7_555 |
8 |
2 |
17596 |
92.1 |
-1.8 |
0.194 |
0 |
0 |
0 |
0.009 |
22 |
|
B |
8 |
2 |
17790 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
10 |
2 |
17790 |
92.1 |
-1.8 |
0.212 |
0 |
0 |
0 |
0.009 |
| Average: |
92.1 |
-1.8 |
0.203 |
0 |
0 |
0 |
0.009 |
| 17 |
23 |
|
[PO4]D:1601 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
11308 |
79.8 |
-5.1 |
0.799 |
6 |
0 |
0 |
0.087 |
24 |
|
[PO4]A:1600 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11289 |
78.9 |
-4.9 |
0.801 |
6 |
0 |
0 |
0.087 |
| Average: |
79.4 |
-5.0 |
0.800 |
6 |
0 |
0 |
0.087 |
| 18 |
25 |
|
[SO4]A:1500 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17790 |
77.9 |
-10.4 |
0.860 |
3 |
0 |
0 |
0.129 |
| 19 |
26 |
|
[SO4]E:1501 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
17596 |
77.5 |
-10.7 |
0.852 |
2 |
0 |
0 |
0.131 |
| 20 |
27 |
|
[PO4]A:1600 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
17790 |
52.2 |
-3.4 |
0.651 |
2 |
0 |
0 |
0.052 |
28 |
|
[PO4]D:1601 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
7 |
5 |
17596 |
51.8 |
-3.3 |
0.642 |
3 |
0 |
0 |
0.052 |
| Average: |
52.0 |
-3.3 |
0.647 |
3 |
0 |
0 |
0.052 |
| 21 |
29 |
|
[COA]B:1325 |
7 |
1 |
524 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
11289 |
51.1 |
0.6 |
0.406 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
D |
5 |
1 |
11308 |
◊ |
D |
y,x,-z+1/4 |
7_555 |
5 |
1 |
11308 |
47.9 |
-0.3 |
0.556 |
0 |
0 |
0 |
0.002 |
31 |
|
A |
5 |
1 |
11289 |
◊ |
A |
y,x,-z+1/4 |
7_555 |
5 |
1 |
11289 |
46.2 |
-0.2 |
0.587 |
0 |
0 |
0 |
0.002 |
| Average: |
47.0 |
-0.3 |
0.572 |
0 |
0 |
0 |
0.002 |
| 23 |
32 |
|
[SO4]E:1501 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11308 |
44.3 |
-4.1 |
0.972 |
3 |
0 |
0 |
0.061 |
| 24 |
33 |
|
[SO4]A:1500 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11289 |
41.3 |
-4.1 |
0.973 |
3 |
0 |
0 |
0.059 |
| 25 |
34 |
|
E |
3 |
2 |
17596 |
◊ |
D |
x,-y,-z+1/2 |
6_555 |
4 |
3 |
11308 |
31.2 |
-0.2 |
0.385 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
D |
5 |
2 |
11308 |
◊ |
[COA]B:1325 |
x,y-1,z |
1_545 |
2 |
1 |
524 |
27.9 |
1.0 |
0.581 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[COA]D:1301 |
3 |
1 |
979 |
◊ |
E |
y,x,-z+1/4 |
7_555 |
3 |
1 |
17596 |
27.7 |
1.3 |
0.730 |
0 |
0 |
0 |
0.000 |
37 |
|
[COA]A:1300 |
3 |
1 |
978 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
3 |
1 |
17790 |
27.6 |
1.2 |
0.730 |
0 |
0 |
0 |
0.000 |
| Average: |
27.6 |
1.2 |
0.730 |
0 |
0 |
0 |
0.000 |
| 28 |
38 |
|
[COA]A:1300 |
1 |
1 |
978 |
f |
[PO4]A:1600 |
x,y,z |
1_555 |
4 |
1 |
185 |
24.6 |
-2.1 |
0.291 |
1 |
0 |
0 |
0.028 |
| 29 |
39 |
|
[COA]E:1325 |
3 |
1 |
336 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
11308 |
24.0 |
0.6 |
0.535 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
[COA]D:1301 |
1 |
1 |
979 |
f |
[PO4]D:1601 |
x,y,z |
1_555 |
4 |
1 |
187 |
21.8 |
-1.8 |
0.291 |
0 |
0 |
0 |
0.021 |
|