| ## |
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 |
65 |
15 |
3922 |
◊ |
A |
x,y,z |
1_555 |
88 |
32 |
10355 |
689.2 |
-8.3 |
0.155 |
10 |
0 |
0 |
0.200 |
2 |
|
D |
62 |
15 |
3926 |
◊ |
C |
x,y,z |
1_555 |
89 |
31 |
10417 |
677.2 |
-9.1 |
0.121 |
10 |
0 |
0 |
0.200 |
| Average: |
683.2 |
-8.7 |
0.138 |
10 |
0 |
0 |
0.200 |
| 2 |
3 |
|
D |
35 |
13 |
3926 |
◊ |
B |
x,y,z |
1_555 |
37 |
14 |
3922 |
435.4 |
-4.6 |
0.199 |
7 |
0 |
0 |
0.048 |
| 3 |
4 |
|
C |
38 |
12 |
10417 |
◊ |
A |
x-y-1,x,z+1/6 |
6_455 |
39 |
13 |
10355 |
359.5 |
-2.9 |
0.366 |
4 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
36 |
13 |
10355 |
◊ |
D |
x-y,x,z+1/6 |
6_555 |
48 |
12 |
3926 |
343.1 |
-1.3 |
0.472 |
8 |
0 |
0 |
0.068 |
6 |
|
B |
45 |
12 |
3922 |
◊ |
C |
x-y,x,z+1/6 |
6_555 |
35 |
12 |
10417 |
341.3 |
-1.3 |
0.493 |
8 |
0 |
0 |
0.068 |
| Average: |
342.2 |
-1.3 |
0.482 |
8 |
0 |
0 |
0.068 |
| 5 |
7 |
|
B |
36 |
13 |
3922 |
◊ |
C |
x,y,z |
1_555 |
34 |
9 |
10417 |
322.1 |
-2.3 |
0.336 |
2 |
1 |
0 |
0.037 |
8 |
|
D |
37 |
13 |
3926 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
10355 |
301.5 |
-1.5 |
0.423 |
2 |
1 |
0 |
0.037 |
| Average: |
311.8 |
-1.9 |
0.380 |
2 |
1 |
0 |
0.037 |
| 6 |
9 |
|
B |
27 |
7 |
3922 |
◊ |
D |
x-y,x,z+1/6 |
6_555 |
27 |
6 |
3926 |
242.5 |
2.2 |
0.768 |
4 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[SO4]B:601 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
3922 |
94.0 |
-14.6 |
0.673 |
3 |
0 |
0 |
0.451 |
11 |
|
[SO4]B:603 |
5 |
1 |
185 |
f |
D |
x-y,x,z+1/6 |
6_555 |
14 |
5 |
3926 |
93.8 |
-14.6 |
0.666 |
3 |
0 |
0 |
0.451 |
| Average: |
93.9 |
-14.6 |
0.669 |
3 |
0 |
0 |
0.451 |
| 8 |
12 |
|
[SO4]A:605 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
10355 |
88.2 |
-12.5 |
0.770 |
3 |
0 |
0 |
0.177 |
| 9 |
13 |
|
[SO4]B:604 |
5 |
1 |
185 |
f |
C |
x-y,x,z+1/6 |
6_555 |
15 |
8 |
10417 |
87.5 |
-12.5 |
0.769 |
3 |
0 |
0 |
0.204 |
| 10 |
14 |
|
[SO4]C:1606 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
10417 |
81.8 |
-11.0 |
0.794 |
3 |
0 |
0 |
0.182 |
| 11 |
15 |
|
[SO4]A:607 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
10355 |
81.0 |
-10.6 |
0.865 |
3 |
0 |
0 |
0.152 |
| 12 |
16 |
|
[SO4]B:602 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
3922 |
79.2 |
-11.0 |
0.834 |
3 |
0 |
0 |
0.348 |
17 |
|
[SO4]D:1602 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
3926 |
79.0 |
-10.9 |
0.827 |
3 |
0 |
0 |
0.348 |
| Average: |
79.1 |
-10.9 |
0.831 |
3 |
0 |
0 |
0.348 |
| 13 |
18 |
|
[SO4]A:606 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
10355 |
78.7 |
-10.5 |
0.813 |
3 |
0 |
0 |
0.150 |
| 14 |
19 |
|
A |
6 |
2 |
10355 |
◊ |
C |
x-y,x,z+1/6 |
6_555 |
6 |
2 |
10417 |
78.6 |
-1.5 |
0.183 |
1 |
0 |
0 |
0.010 |
| 15 |
20 |
|
[SO4]B:604 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
3922 |
64.3 |
-8.6 |
0.781 |
1 |
0 |
0 |
0.125 |
| 16 |
21 |
|
[SO4]A:605 |
5 |
1 |
186 |
◊ |
D |
x-y,x,z+1/6 |
6_555 |
13 |
5 |
3926 |
63.0 |
-8.6 |
0.757 |
1 |
0 |
0 |
0.108 |
| 17 |
22 |
|
[SO4]B:603 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
3922 |
59.8 |
-6.8 |
0.826 |
1 |
0 |
0 |
0.207 |
23 |
|
[SO4]B:601 |
4 |
1 |
186 |
◊ |
D |
x-y,x,z+1/6 |
6_555 |
8 |
3 |
3926 |
59.6 |
-6.9 |
0.817 |
1 |
0 |
0 |
0.207 |
| Average: |
59.7 |
-6.8 |
0.822 |
1 |
0 |
0 |
0.207 |
| 18 |
24 |
|
[SO4]B:602 |
4 |
1 |
185 |
◊ |
C |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
10417 |
29.1 |
-3.7 |
0.221 |
0 |
0 |
0 |
0.052 |
25 |
|
A |
1 |
1 |
10355 |
◊ |
[SO4]D:1602 |
x-y,x,z+1/6 |
6_555 |
4 |
1 |
186 |
27.6 |
-3.6 |
0.242 |
0 |
0 |
0 |
0.052 |
| Average: |
28.3 |
-3.6 |
0.231 |
0 |
0 |
0 |
0.052 |
| 19 |
26 |
|
C |
4 |
2 |
10417 |
x |
C |
x-y,x,z+1/6 |
6_555 |
6 |
1 |
10417 |
28.5 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
5 |
1 |
10355 |
x |
A |
x-y,x,z+1/6 |
6_555 |
4 |
2 |
10355 |
20.6 |
0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
| Average: |
24.5 |
0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
|