| ## |
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 |
|
D |
130 |
30 |
10178 |
◊ |
A |
x,y,z |
1_555 |
127 |
30 |
10229 |
1261.6 |
-4.0 |
0.339 |
21 |
15 |
0 |
0.339 |
2 |
|
C |
125 |
31 |
10244 |
◊ |
B |
x,y,z |
1_555 |
130 |
30 |
10500 |
1235.0 |
-2.2 |
0.431 |
21 |
13 |
0 |
0.339 |
| Average: |
1248.3 |
-3.1 |
0.385 |
21 |
14 |
0 |
0.339 |
| 2 |
3 |
|
D |
73 |
22 |
10178 |
◊ |
B |
x,y,z |
1_555 |
73 |
21 |
10500 |
707.6 |
-0.6 |
0.439 |
9 |
4 |
0 |
0.000 |
4 |
|
D |
66 |
20 |
10178 |
◊ |
A |
x,x-y-1,-z+1/6 |
12_545 |
68 |
18 |
10229 |
645.4 |
0.1 |
0.522 |
9 |
4 |
0 |
0.000 |
5 |
|
C |
71 |
19 |
10244 |
◊ |
B |
x,x-y-1,-z+1/6 |
12_545 |
68 |
18 |
10500 |
642.7 |
-3.2 |
0.304 |
6 |
4 |
0 |
0.000 |
6 |
|
C |
66 |
18 |
10244 |
◊ |
A |
x,y,z |
1_555 |
68 |
19 |
10229 |
632.1 |
0.4 |
0.582 |
6 |
4 |
0 |
0.000 |
| Average: |
656.9 |
-0.8 |
0.462 |
8 |
4 |
0 |
0.000 |
| 3 |
7 |
|
C |
50 |
14 |
10244 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
47 |
15 |
10229 |
482.7 |
1.1 |
0.595 |
11 |
7 |
0 |
0.000 |
| 4 |
8 |
|
D |
35 |
11 |
10178 |
◊ |
B |
-x,-x+y,-z-1/3 |
9_554 |
36 |
10 |
10500 |
294.8 |
0.3 |
0.436 |
3 |
0 |
0 |
0.000 |
| 5 |
9 |
|
B |
24 |
9 |
10500 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
10229 |
186.1 |
2.6 |
0.819 |
6 |
4 |
0 |
0.000 |
10 |
|
D |
16 |
8 |
10178 |
◊ |
D |
x,x-y-1,-z+1/6 |
12_545 |
16 |
8 |
10178 |
125.6 |
3.4 |
0.914 |
6 |
4 |
0 |
0.000 |
11 |
|
C |
14 |
7 |
10244 |
◊ |
C |
x,x-y-1,-z+1/6 |
12_545 |
14 |
7 |
10244 |
118.8 |
2.9 |
0.894 |
4 |
4 |
0 |
0.000 |
| Average: |
143.5 |
3.0 |
0.876 |
5 |
4 |
0 |
0.000 |
| 6 |
12 |
|
C |
21 |
6 |
10244 |
◊ |
C |
-y,-x,-z-1/6 |
10_554 |
20 |
6 |
10244 |
174.4 |
2.5 |
0.833 |
0 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[2HE]D:301 |
7 |
1 |
239 |
f |
D |
x,y,z |
1_555 |
23 |
12 |
10178 |
141.1 |
-1.9 |
0.302 |
10 |
0 |
0 |
0.138 |
| 8 |
14 |
|
D |
13 |
3 |
10178 |
◊ |
D |
-x,-x+y,-z-1/3 |
9_554 |
13 |
3 |
10178 |
117.6 |
1.7 |
0.810 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[SO4]A:301 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
10229 |
114.7 |
-19.9 |
0.535 |
6 |
0 |
0 |
0.490 |
16 |
|
[SO4]C:301 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
11 |
10244 |
113.4 |
-19.0 |
0.711 |
6 |
0 |
0 |
0.490 |
| Average: |
114.1 |
-19.5 |
0.623 |
6 |
0 |
0 |
0.490 |
| 10 |
17 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
10500 |
113.2 |
-19.2 |
0.707 |
6 |
0 |
0 |
0.367 |
| 11 |
18 |
|
A |
6 |
1 |
10229 |
◊ |
B |
x-y-1,-y-1,-z |
8_445 |
3 |
1 |
10500 |
39.6 |
1.3 |
0.708 |
1 |
0 |
0 |
0.000 |
| 12 |
19 |
|
C |
2 |
1 |
10244 |
◊ |
B |
-y,-x,-z-1/6 |
10_554 |
3 |
1 |
10500 |
31.6 |
0.8 |
0.869 |
2 |
2 |
0 |
0.000 |
| 13 |
20 |
|
[2HE]D:301 |
3 |
1 |
239 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
10229 |
25.8 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[SO4]A:301 |
2 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
10178 |
14.2 |
-1.5 |
0.863 |
0 |
0 |
0 |
0.033 |
22 |
|
[SO4]C:301 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
10500 |
13.0 |
-1.4 |
0.865 |
0 |
0 |
0 |
0.033 |
| Average: |
13.6 |
-1.4 |
0.864 |
0 |
0 |
0 |
0.033 |
| 15 |
23 |
|
[SO4]B:301 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
10244 |
11.4 |
-1.2 |
0.846 |
0 |
0 |
0 |
0.021 |
| 16 |
24 |
|
[2HE]D:301 |
2 |
1 |
239 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10500 |
11.3 |
-0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
|