| ## |
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 |
179 |
41 |
11127 |
◊ |
A |
x,y,z |
1_555 |
171 |
41 |
11102 |
1659.2 |
-14.4 |
0.405 |
38 |
8 |
0 |
0.454 |
2 |
|
D |
181 |
41 |
11131 |
◊ |
C |
x,y,z |
1_555 |
167 |
41 |
11142 |
1655.4 |
-14.5 |
0.413 |
39 |
8 |
0 |
0.454 |
| Average: |
1657.3 |
-14.5 |
0.409 |
39 |
8 |
0 |
0.454 |
| 2 |
3 |
|
B |
59 |
19 |
11127 |
◊ |
A |
x,y,z-1 |
1_554 |
52 |
19 |
11102 |
497.4 |
-4.0 |
0.503 |
5 |
3 |
0 |
0.000 |
4 |
|
D |
57 |
20 |
11131 |
◊ |
C |
x,y,z-1 |
1_554 |
50 |
17 |
11142 |
468.4 |
-4.2 |
0.483 |
5 |
2 |
0 |
0.000 |
| Average: |
482.9 |
-4.1 |
0.493 |
5 |
3 |
0 |
0.000 |
| 3 |
5 |
|
A |
47 |
13 |
11102 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
44 |
15 |
11131 |
428.6 |
-3.8 |
0.445 |
1 |
1 |
0 |
0.000 |
6 |
|
B |
46 |
14 |
11127 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
47 |
12 |
11142 |
411.2 |
-3.5 |
0.479 |
1 |
1 |
0 |
0.000 |
| Average: |
419.9 |
-3.6 |
0.462 |
1 |
1 |
0 |
0.000 |
| 4 |
7 |
|
B |
35 |
10 |
11127 |
◊ |
D |
x,y,z-1 |
1_554 |
38 |
11 |
11131 |
315.9 |
-4.5 |
0.302 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
B |
37 |
11 |
11127 |
◊ |
C |
x,y,z-1 |
1_554 |
36 |
8 |
11142 |
309.1 |
0.3 |
0.784 |
7 |
0 |
0 |
0.000 |
| 6 |
9 |
|
B |
33 |
9 |
11127 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
32 |
12 |
11142 |
302.7 |
-0.5 |
0.675 |
3 |
1 |
0 |
0.000 |
10 |
|
A |
33 |
14 |
11102 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
9 |
11131 |
276.2 |
-0.4 |
0.718 |
2 |
0 |
0 |
0.000 |
| Average: |
289.5 |
-0.5 |
0.696 |
3 |
1 |
0 |
0.000 |
| 7 |
11 |
|
D |
26 |
7 |
11131 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
11102 |
219.1 |
-0.7 |
0.648 |
4 |
2 |
0 |
0.000 |
| 8 |
12 |
|
D |
24 |
8 |
11131 |
◊ |
B |
x-1,y,z+1 |
1_456 |
25 |
7 |
11127 |
195.8 |
-1.2 |
0.549 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
D |
27 |
8 |
11131 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
8 |
11102 |
191.6 |
0.0 |
0.747 |
1 |
1 |
0 |
0.000 |
| 10 |
14 |
|
C |
17 |
7 |
11142 |
◊ |
B |
x-1,y,z+1 |
1_456 |
13 |
5 |
11127 |
133.8 |
0.3 |
0.700 |
2 |
2 |
0 |
0.000 |
| 11 |
15 |
|
[SO4]B:556 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
11127 |
124.5 |
-17.5 |
0.711 |
5 |
0 |
0 |
0.276 |
16 |
|
[SO4]D:558 |
5 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
11131 |
122.0 |
-17.7 |
0.717 |
5 |
0 |
0 |
0.276 |
| Average: |
123.3 |
-17.6 |
0.714 |
5 |
0 |
0 |
0.276 |
| 12 |
17 |
|
[SO4]C:557 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
11142 |
124.3 |
-17.9 |
0.716 |
6 |
0 |
0 |
0.279 |
18 |
|
[SO4]A:555 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
11102 |
123.7 |
-18.0 |
0.730 |
3 |
0 |
0 |
0.279 |
| Average: |
124.0 |
-17.9 |
0.723 |
5 |
0 |
0 |
0.279 |
| 13 |
19 |
|
A |
16 |
6 |
11102 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
13 |
4 |
11142 |
121.3 |
-0.9 |
0.465 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
12 |
4 |
11102 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
13 |
6 |
11142 |
110.7 |
-0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
| Average: |
116.0 |
-0.5 |
0.552 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
A |
12 |
5 |
11102 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
11142 |
84.2 |
2.0 |
0.845 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
10 |
4 |
11102 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
12 |
5 |
11142 |
75.4 |
2.0 |
0.849 |
2 |
0 |
0 |
0.000 |
| Average: |
79.8 |
2.0 |
0.847 |
1 |
0 |
0 |
0.000 |
| 15 |
23 |
|
D |
9 |
5 |
11131 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
7 |
3 |
11142 |
65.7 |
-0.4 |
0.556 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
D |
6 |
3 |
11131 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
11127 |
61.4 |
-0.8 |
0.406 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
D |
9 |
2 |
11131 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
1 |
11127 |
48.1 |
-0.3 |
0.542 |
0 |
0 |
0 |
0.000 |
|