## |
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 |
|
A |
95 |
29 |
12241 |
◊ |
B |
x,y,z-1 |
1_554 |
101 |
29 |
12385 |
961.3 |
-12.2 |
0.066 |
17 |
0 |
0 |
0.260 |
2 |
2 |
|
C |
50 |
7 |
1438 |
◊ |
A |
x,y,z |
1_555 |
83 |
28 |
12241 |
614.0 |
-9.8 |
0.314 |
8 |
1 |
0 |
0.139 |
3 |
3 |
|
D |
49 |
7 |
1402 |
◊ |
B |
x,y,z |
1_555 |
80 |
27 |
12385 |
584.6 |
-9.4 |
0.357 |
8 |
1 |
0 |
0.148 |
4 |
4 |
|
B |
48 |
19 |
12385 |
◊ |
A |
x,y,z |
1_555 |
43 |
17 |
12241 |
405.7 |
5.1 |
0.916 |
6 |
5 |
0 |
0.000 |
5 |
5 |
|
B |
41 |
16 |
12385 |
◊ |
B |
-x,-y,z |
2_555 |
42 |
16 |
12385 |
398.2 |
-3.3 |
0.338 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
46 |
13 |
12385 |
◊ |
A |
-x-1,-y,z |
2_455 |
46 |
12 |
12241 |
382.4 |
-2.2 |
0.431 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
32 |
11 |
12241 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
25 |
9 |
12385 |
315.0 |
-4.8 |
0.080 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
A |
38 |
11 |
12241 |
x |
A |
x-1/2,-y+1/2,-z-1 |
3_454 |
35 |
12 |
12241 |
307.1 |
-2.3 |
0.366 |
4 |
0 |
0 |
0.000 |
9 |
9 |
|
B |
10 |
4 |
12385 |
◊ |
A |
-x-1,-y,z-1 |
2_454 |
9 |
4 |
12241 |
99.9 |
-0.6 |
0.460 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[SO4]B:702 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
12385 |
87.0 |
-11.6 |
0.849 |
2 |
0 |
0 |
0.164 |
11 |
11 |
|
[SO4]B:703 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
12385 |
80.7 |
-11.1 |
0.920 |
4 |
0 |
0 |
0.170 |
12 |
12 |
|
[SO4]A:701 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12241 |
80.7 |
-11.2 |
0.751 |
2 |
0 |
0 |
0.160 |
13 |
13 |
|
[SO4]A:702 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12241 |
63.6 |
-8.9 |
0.681 |
3 |
0 |
0 |
0.135 |
14 |
14 |
|
[SO4]B:701 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
12385 |
60.9 |
-7.5 |
0.843 |
2 |
0 |
0 |
0.111 |
15 |
15 |
|
D |
5 |
1 |
1402 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12241 |
58.3 |
0.0 |
0.655 |
1 |
0 |
0 |
0.000 |
16 |
16 |
|
[SO4]A:702 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
1438 |
56.7 |
-6.7 |
0.910 |
2 |
0 |
0 |
0.078 |
17 |
17 |
|
[NH2]D:44 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
8 |
2 |
1402 |
51.0 |
0.3 |
0.821 |
0 |
0 |
0 |
0.000 |
18 |
|
[NH2]C:44 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
7 |
2 |
1438 |
50.5 |
0.2 |
0.806 |
0 |
0 |
0 |
0.000 |
Average: |
50.7 |
0.3 |
0.814 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
C |
5 |
1 |
1438 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12385 |
44.5 |
-0.6 |
0.537 |
0 |
0 |
0 |
0.007 |
19 |
20 |
|
[NH2]D:44 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
12241 |
34.1 |
0.5 |
0.794 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[NH2]C:44 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
12385 |
26.7 |
0.3 |
0.749 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[SO4]A:702 |
2 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12385 |
11.8 |
-1.6 |
0.633 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[SO4]A:701 |
1 |
1 |
185 |
◊ |
B |
-x-1,-y,z |
2_455 |
1 |
1 |
12385 |
5.9 |
-0.7 |
0.789 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[SO4]A:701 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1438 |
4.8 |
-0.7 |
0.659 |
0 |
0 |
0 |
0.007 |
24 |
25 |
|
[NH2]D:44 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12385 |
1.3 |
0.0 |
0.830 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
A |
1 |
1 |
12241 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
12385 |
1.3 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[SO4]B:703 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12241 |
0.6 |
-0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
|