## |
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 |
|
L |
102 |
27 |
6452 |
◊ |
H |
x,y,z |
1_555 |
113 |
24 |
6431 |
935.2 |
-16.1 |
0.162 |
12 |
0 |
0 |
1.000 |
2 |
|
B |
107 |
27 |
6342 |
◊ |
A |
x,y,z |
1_555 |
117 |
25 |
6276 |
934.1 |
-16.3 |
0.217 |
12 |
0 |
0 |
1.000 |
Average: |
934.6 |
-16.2 |
0.189 |
12 |
0 |
0 |
1.000 |
2 |
3 |
|
L |
67 |
24 |
6452 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
67 |
26 |
6342 |
651.0 |
-1.4 |
0.850 |
13 |
0 |
0 |
0.076 |
3 |
4 |
|
D |
46 |
12 |
4379 |
◊ |
H |
x,y,z |
1_555 |
53 |
12 |
6431 |
472.0 |
-0.5 |
0.801 |
12 |
8 |
0 |
0.127 |
5 |
|
C |
44 |
13 |
4337 |
◊ |
A |
x,y,z |
1_555 |
54 |
12 |
6276 |
434.3 |
-1.6 |
0.784 |
11 |
7 |
0 |
0.127 |
Average: |
453.2 |
-1.1 |
0.792 |
12 |
8 |
0 |
0.127 |
4 |
6 |
|
D |
55 |
14 |
4379 |
◊ |
H |
x-1/2,-y-1/2,-z+1 |
4_446 |
47 |
16 |
6431 |
466.1 |
-4.8 |
0.534 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
D |
49 |
15 |
4379 |
◊ |
L |
x,y,z |
1_555 |
43 |
10 |
6452 |
461.6 |
-4.7 |
0.499 |
4 |
2 |
0 |
0.142 |
8 |
|
C |
50 |
15 |
4337 |
◊ |
B |
x,y,z |
1_555 |
41 |
11 |
6342 |
437.1 |
-6.5 |
0.343 |
4 |
1 |
0 |
0.142 |
Average: |
449.3 |
-5.6 |
0.421 |
4 |
2 |
0 |
0.142 |
6 |
9 |
|
H |
42 |
14 |
6431 |
◊ |
A |
x,y,z |
1_555 |
51 |
16 |
6276 |
406.3 |
-7.7 |
0.117 |
4 |
0 |
0 |
0.043 |
7 |
10 |
|
L |
11 |
5 |
6452 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
14 |
4 |
4337 |
149.7 |
-2.3 |
0.352 |
1 |
0 |
0 |
0.036 |
11 |
|
D |
16 |
4 |
4379 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
15 |
6 |
6342 |
143.1 |
-1.8 |
0.494 |
2 |
0 |
0 |
0.036 |
Average: |
146.4 |
-2.1 |
0.423 |
2 |
0 |
0 |
0.036 |
8 |
12 |
|
H |
14 |
5 |
6431 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
7 |
6342 |
120.3 |
-0.7 |
0.573 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
L |
9 |
3 |
6452 |
◊ |
H |
x-1,y,z |
1_455 |
12 |
5 |
6431 |
114.0 |
-1.5 |
0.224 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
[SO4]L:1109 |
5 |
1 |
187 |
f |
L |
x,y,z |
1_555 |
17 |
5 |
6452 |
108.1 |
-16.5 |
0.826 |
0 |
0 |
0 |
0.260 |
11 |
15 |
|
[SO4]C:1065 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
4337 |
102.1 |
-17.1 |
0.720 |
5 |
0 |
0 |
0.325 |
12 |
16 |
|
D |
11 |
4 |
4379 |
◊ |
L |
x-1/2,-y-1/2,-z+1 |
4_446 |
15 |
4 |
6452 |
91.1 |
2.0 |
0.911 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
[SO4]L:1108 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
15 |
6 |
6452 |
84.8 |
-12.4 |
0.853 |
2 |
0 |
0 |
0.209 |
14 |
18 |
|
C |
9 |
4 |
4337 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
6431 |
80.4 |
-0.3 |
0.651 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[SO4]H:1113 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
14 |
5 |
6431 |
75.7 |
-11.1 |
0.857 |
3 |
0 |
0 |
0.195 |
16 |
20 |
|
B |
9 |
4 |
6342 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
5 |
6431 |
74.2 |
-0.5 |
0.574 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
D |
4 |
3 |
4379 |
◊ |
H |
x-1,y,z |
1_455 |
9 |
5 |
6431 |
67.5 |
-0.7 |
0.494 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
B |
3 |
2 |
6342 |
◊ |
[SO4]H:1113 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
187 |
41.8 |
-4.8 |
0.712 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
C |
3 |
2 |
4337 |
◊ |
L |
x,y,z |
1_555 |
2 |
2 |
6452 |
23.8 |
0.5 |
0.595 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
D |
5 |
2 |
4379 |
x |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
3 |
1 |
4379 |
21.2 |
0.3 |
0.696 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[SO4]C:1065 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
6276 |
20.6 |
-2.5 |
0.812 |
0 |
0 |
0 |
0.042 |
22 |
26 |
|
[SO4]L:1108 |
2 |
1 |
186 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
2 |
6342 |
14.6 |
-1.9 |
0.762 |
0 |
0 |
0 |
0.020 |
23 |
27 |
|
L |
2 |
1 |
6452 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6276 |
13.9 |
-0.1 |
0.499 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
H |
2 |
1 |
6431 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
6342 |
13.4 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.001 |
29 |
|
L |
1 |
1 |
6452 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
6276 |
12.9 |
-0.0 |
0.544 |
0 |
0 |
0 |
0.001 |
Average: |
13.1 |
-0.0 |
0.536 |
0 |
0 |
0 |
0.001 |
25 |
30 |
|
A |
1 |
1 |
6276 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
6342 |
2.7 |
0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
|