## |
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 |
112 |
36 |
8149 |
◊ |
A |
x,y,z |
1_555 |
85 |
22 |
4620 |
961.6 |
-7.5 |
0.258 |
9 |
1 |
0 |
0.477 |
2 |
|
D |
113 |
35 |
8133 |
◊ |
C |
x,y,z |
1_555 |
92 |
22 |
4719 |
950.6 |
-6.5 |
0.293 |
7 |
3 |
0 |
0.477 |
Average: |
956.1 |
-7.0 |
0.275 |
8 |
2 |
0 |
0.477 |
2 |
3 |
|
D |
55 |
15 |
8133 |
◊ |
B |
x,y,z |
1_555 |
56 |
15 |
8149 |
525.5 |
-2.0 |
0.577 |
5 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
53 |
13 |
8149 |
x |
B |
x,y-1,z |
1_545 |
49 |
16 |
8149 |
461.0 |
-0.5 |
0.701 |
4 |
3 |
0 |
0.000 |
5 |
|
D |
46 |
14 |
8133 |
x |
D |
x,y-1,z |
1_545 |
46 |
11 |
8133 |
413.5 |
-4.0 |
0.387 |
3 |
1 |
0 |
0.000 |
Average: |
437.2 |
-2.3 |
0.544 |
4 |
2 |
0 |
0.000 |
4 |
6 |
|
D |
44 |
15 |
8133 |
◊ |
C |
-x,y,-z |
2_555 |
42 |
12 |
4719 |
359.1 |
0.4 |
0.614 |
3 |
0 |
0 |
0.058 |
7 |
|
B |
41 |
12 |
8149 |
◊ |
A |
-x,y,-z-1 |
2_554 |
40 |
11 |
4620 |
333.2 |
0.4 |
0.683 |
5 |
0 |
0 |
0.058 |
Average: |
346.1 |
0.4 |
0.649 |
4 |
0 |
0 |
0.058 |
5 |
8 |
|
B |
19 |
6 |
8149 |
◊ |
B |
-x,y,-z-1 |
2_554 |
19 |
6 |
8149 |
168.2 |
-2.7 |
0.275 |
0 |
0 |
0 |
0.041 |
9 |
|
D |
16 |
6 |
8133 |
◊ |
D |
-x,y,-z |
2_555 |
16 |
6 |
8133 |
149.7 |
-1.1 |
0.481 |
0 |
0 |
0 |
0.041 |
Average: |
158.9 |
-1.9 |
0.378 |
0 |
0 |
0 |
0.041 |
6 |
10 |
|
B |
16 |
4 |
8149 |
◊ |
A |
x,y-1,z |
1_545 |
17 |
5 |
4620 |
152.1 |
0.4 |
0.666 |
2 |
1 |
0 |
0.000 |
11 |
|
C |
18 |
5 |
4719 |
◊ |
D |
x,y-1,z |
1_545 |
17 |
6 |
8133 |
149.8 |
1.5 |
0.617 |
1 |
2 |
0 |
0.000 |
Average: |
150.9 |
1.0 |
0.641 |
2 |
2 |
0 |
0.000 |
7 |
12 |
|
A |
21 |
6 |
4620 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
10 |
5 |
8149 |
151.3 |
-3.5 |
0.061 |
0 |
0 |
0 |
0.000 |
13 |
|
C |
16 |
6 |
4719 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
11 |
5 |
8133 |
140.9 |
-3.5 |
0.073 |
0 |
0 |
0 |
0.000 |
Average: |
146.1 |
-3.5 |
0.067 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
[3CN]A:101 |
4 |
1 |
209 |
cf |
B |
x,y,z |
1_555 |
24 |
9 |
8149 |
111.1 |
-1.8 |
0.571 |
1 |
0 |
0 |
0.100 |
9 |
15 |
|
[3CN]C:101 |
4 |
1 |
212 |
cf |
D |
x,y,z |
1_555 |
25 |
9 |
8133 |
105.7 |
-1.8 |
0.589 |
0 |
0 |
0 |
0.100 |
10 |
16 |
|
C |
7 |
2 |
4719 |
f |
[SO4]D:201 |
x,y-1,z |
1_545 |
5 |
1 |
185 |
66.0 |
-9.0 |
0.691 |
2 |
0 |
0 |
0.441 |
11 |
17 |
|
[SO4]A:102 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
4620 |
64.6 |
-8.6 |
0.606 |
2 |
0 |
0 |
0.387 |
12 |
18 |
|
[SO4]C:102 |
4 |
1 |
186 |
f |
[SO4]C:102 |
-x,y,-z |
2_555 |
4 |
1 |
186 |
49.7 |
-11.4 |
0.973 |
0 |
0 |
0 |
0.300 |
13 |
19 |
|
[SO4]C:102 |
4 |
1 |
186 |
◊ |
D |
-x,y,-z |
2_555 |
16 |
3 |
8133 |
48.2 |
-5.9 |
0.802 |
0 |
0 |
0 |
0.309 |
14 |
20 |
|
D |
5 |
2 |
8133 |
◊ |
[SO4]D:201 |
-x,y-1,-z |
2_545 |
4 |
1 |
185 |
44.9 |
-5.2 |
0.707 |
0 |
0 |
0 |
0.104 |
15 |
21 |
|
[SO4]C:102 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
13 |
2 |
8133 |
43.1 |
-5.2 |
0.813 |
0 |
0 |
0 |
0.271 |
16 |
22 |
|
[SO4]A:102 |
4 |
1 |
186 |
◊ |
B |
-x,y,-z-1 |
2_554 |
6 |
2 |
8149 |
41.6 |
-4.2 |
0.827 |
1 |
0 |
0 |
0.144 |
17 |
23 |
|
[3CN]A:101 |
2 |
1 |
209 |
c |
A |
x,y,z |
1_555 |
3 |
1 |
4620 |
39.4 |
0.0 |
0.417 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
[3CN]C:101 |
3 |
1 |
212 |
c |
C |
x,y,z |
1_555 |
3 |
1 |
4719 |
38.7 |
-0.1 |
0.361 |
0 |
0 |
0 |
0.003 |
19 |
25 |
|
B |
2 |
1 |
8149 |
◊ |
[SO4]A:102 |
x,y-1,z |
1_545 |
3 |
1 |
186 |
35.4 |
-4.0 |
0.924 |
1 |
0 |
0 |
0.000 |
20 |
26 |
|
[SO4]C:102 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4719 |
34.2 |
-2.3 |
0.980 |
2 |
0 |
0 |
0.063 |
21 |
27 |
|
[SO4]D:201 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8133 |
28.8 |
-3.2 |
0.895 |
1 |
0 |
0 |
0.000 |
22 |
28 |
|
[SO4]C:102 |
2 |
1 |
186 |
◊ |
C |
-x,y,-z |
2_555 |
1 |
1 |
4719 |
12.0 |
-0.7 |
0.948 |
0 |
0 |
0 |
0.015 |
23 |
29 |
|
[SO4]A:102 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
8149 |
10.3 |
-1.1 |
0.866 |
0 |
0 |
0 |
0.045 |
24 |
30 |
|
[3CN]C:101 |
1 |
1 |
212 |
◊ |
C |
-x,y,-z |
2_555 |
5 |
2 |
4719 |
7.7 |
-0.2 |
0.624 |
0 |
0 |
0 |
0.003 |
25 |
31 |
|
D |
1 |
1 |
8133 |
◊ |
[SO4]D:201 |
x,y-1,z |
1_545 |
1 |
1 |
185 |
5.9 |
-0.7 |
0.649 |
0 |
0 |
0 |
0.033 |
|