| ## |
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 |
|
A |
113 |
27 |
23394 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
119 |
28 |
23508 |
983.2 |
-5.3 |
0.430 |
10 |
0 |
0 |
0.007 |
| 2 |
2 |
|
[0NQ]B:601 |
33 |
1 |
757 |
f |
B |
x,y,z |
1_555 |
68 |
26 |
23508 |
494.5 |
-7.7 |
0.461 |
6 |
0 |
0 |
0.045 |
3 |
|
[0NQ]A:601 |
33 |
1 |
754 |
f |
A |
x,y,z |
1_555 |
70 |
26 |
23394 |
493.9 |
-7.1 |
0.517 |
5 |
0 |
0 |
0.045 |
| Average: |
494.2 |
-7.4 |
0.489 |
6 |
0 |
0 |
0.045 |
| 3 |
4 |
|
B |
47 |
11 |
23508 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
34 |
12 |
23394 |
382.7 |
-1.3 |
0.524 |
5 |
3 |
0 |
0.000 |
| 4 |
5 |
|
A |
40 |
13 |
23394 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
34 |
6 |
23394 |
313.7 |
0.1 |
0.639 |
4 |
2 |
0 |
0.000 |
| 5 |
6 |
|
B |
34 |
13 |
23508 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
23394 |
285.3 |
-4.0 |
0.204 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
38 |
14 |
23394 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
9 |
23508 |
275.6 |
1.9 |
0.794 |
0 |
1 |
0 |
0.000 |
| 7 |
8 |
|
[PEG]A:609 |
7 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
28 |
14 |
23394 |
179.9 |
4.6 |
0.476 |
4 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[PEG]B:604 |
7 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
23508 |
145.7 |
4.9 |
0.439 |
5 |
0 |
0 |
0.000 |
10 |
|
[PEG]A:608 |
7 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
23394 |
138.1 |
4.2 |
0.413 |
3 |
0 |
0 |
0.000 |
| Average: |
141.9 |
4.5 |
0.426 |
4 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:611 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
23394 |
110.2 |
2.2 |
0.389 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[SO4]A:607 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
23394 |
109.3 |
-17.7 |
0.280 |
0 |
0 |
0 |
0.018 |
| 11 |
13 |
|
[SO4]B:603 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
23508 |
93.3 |
-13.2 |
0.863 |
5 |
0 |
0 |
0.067 |
| 12 |
14 |
|
[SO4]A:602 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
23394 |
90.8 |
-13.1 |
0.834 |
5 |
0 |
0 |
0.016 |
| 13 |
15 |
|
[SO4]A:606 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
23394 |
84.0 |
-12.3 |
0.442 |
0 |
0 |
0 |
0.012 |
| 14 |
16 |
|
[EDO]A:610 |
4 |
1 |
183 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
8 |
6 |
23508 |
83.9 |
2.3 |
0.287 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
A |
9 |
4 |
23394 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
23508 |
82.6 |
-0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[SO4]B:602 |
5 |
1 |
185 |
f |
A |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
23394 |
82.3 |
-11.3 |
0.891 |
3 |
0 |
0 |
0.013 |
| 17 |
19 |
|
[SO4]A:603 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
23394 |
81.4 |
-11.2 |
0.828 |
4 |
0 |
0 |
0.013 |
| 18 |
20 |
|
[SO4]A:604 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
23394 |
72.2 |
-10.5 |
0.754 |
2 |
0 |
0 |
0.012 |
| 19 |
21 |
|
[SO4]A:605 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
23394 |
57.2 |
-7.2 |
0.804 |
2 |
0 |
0 |
0.008 |
| 20 |
22 |
|
[SO4]A:606 |
4 |
1 |
185 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
23508 |
56.5 |
-6.3 |
0.922 |
1 |
0 |
0 |
0.005 |
| 21 |
23 |
|
[EDO]A:610 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
23394 |
53.7 |
1.6 |
0.917 |
1 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[SO4]B:602 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
23508 |
43.3 |
-4.0 |
0.980 |
2 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[SO4]A:607 |
4 |
1 |
186 |
f |
[SO4]A:605 |
x,y,z |
1_555 |
3 |
1 |
184 |
26.6 |
-6.1 |
0.995 |
0 |
0 |
0 |
0.006 |
| 24 |
26 |
|
A |
3 |
2 |
23394 |
◊ |
[SO4]A:602 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
183 |
22.6 |
-3.3 |
0.458 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[PEG]A:609 |
1 |
1 |
264 |
f |
[SO4]A:603 |
x,y,z |
1_555 |
1 |
1 |
184 |
11.4 |
-1.6 |
0.338 |
0 |
0 |
0 |
0.002 |
|