| ## |
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 |
63 |
23 |
13650 |
◊ |
A |
x,y,z |
1_555 |
62 |
22 |
13625 |
621.0 |
-4.1 |
0.313 |
0 |
0 |
0 |
0.000 |
| 2 |
2 |
|
[NAP]A:401 |
47 |
1 |
905 |
f |
A |
x,y,z |
1_555 |
77 |
31 |
13625 |
595.6 |
-3.8 |
0.442 |
22 |
0 |
0 |
0.020 |
3 |
|
[NAP]B:401 |
47 |
1 |
903 |
f |
B |
x,y,z |
1_555 |
77 |
30 |
13650 |
593.0 |
-3.7 |
0.455 |
23 |
0 |
0 |
0.020 |
| Average: |
594.3 |
-3.7 |
0.449 |
23 |
0 |
0 |
0.020 |
| 3 |
4 |
|
B |
54 |
15 |
13650 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
45 |
14 |
13625 |
441.0 |
4.3 |
0.900 |
5 |
4 |
0 |
0.000 |
5 |
|
B |
46 |
14 |
13650 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
53 |
14 |
13625 |
433.5 |
3.8 |
0.883 |
5 |
6 |
0 |
0.000 |
| Average: |
437.3 |
4.1 |
0.891 |
5 |
5 |
0 |
0.000 |
| 4 |
6 |
|
[WY1]A:402 |
19 |
1 |
518 |
f |
A |
x,y,z |
1_555 |
39 |
15 |
13625 |
278.1 |
-9.3 |
0.302 |
4 |
0 |
0 |
0.016 |
7 |
|
[WY1]B:402 |
18 |
1 |
517 |
f |
B |
x,y,z |
1_555 |
38 |
14 |
13650 |
275.1 |
-9.5 |
0.296 |
4 |
0 |
0 |
0.016 |
| Average: |
276.6 |
-9.4 |
0.299 |
4 |
0 |
0 |
0.016 |
| 5 |
8 |
|
A |
26 |
9 |
13625 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
23 |
9 |
13625 |
224.3 |
-0.3 |
0.526 |
1 |
2 |
0 |
0.000 |
| 6 |
9 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
13625 |
90.0 |
-13.0 |
0.770 |
6 |
0 |
0 |
0.023 |
| 7 |
10 |
|
[SO4]B:404 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
13650 |
89.8 |
-12.6 |
0.800 |
6 |
0 |
0 |
0.022 |
| 8 |
11 |
|
[SO4]B:406 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13650 |
84.0 |
-11.5 |
0.821 |
2 |
0 |
0 |
0.018 |
| 9 |
12 |
|
[SO4]A:406 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13625 |
79.6 |
-10.8 |
0.767 |
2 |
0 |
0 |
0.017 |
| 10 |
13 |
|
B |
11 |
5 |
13650 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
5 |
13625 |
78.0 |
-0.4 |
0.510 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
A |
12 |
4 |
13625 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
1 |
13650 |
65.2 |
-0.1 |
0.518 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[SO4]A:405 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
13625 |
59.2 |
-6.6 |
0.953 |
3 |
0 |
0 |
0.012 |
| 13 |
16 |
|
[SO4]B:405 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
13650 |
57.4 |
-6.9 |
0.936 |
3 |
0 |
0 |
0.012 |
| 14 |
17 |
|
[SO4]B:403 |
4 |
1 |
186 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
8 |
4 |
13625 |
54.4 |
-6.4 |
0.827 |
1 |
0 |
0 |
0.010 |
18 |
|
B |
8 |
4 |
13650 |
f |
[SO4]A:403 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
53.4 |
-6.2 |
0.829 |
1 |
0 |
0 |
0.010 |
| Average: |
53.9 |
-6.3 |
0.828 |
1 |
0 |
0 |
0.010 |
| 15 |
19 |
|
[SO4]A:403 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
13625 |
50.6 |
-5.2 |
0.943 |
3 |
0 |
0 |
0.000 |
20 |
|
[SO4]B:403 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
13650 |
50.3 |
-5.1 |
0.949 |
2 |
0 |
0 |
0.000 |
| Average: |
50.4 |
-5.1 |
0.946 |
3 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[WY1]A:402 |
5 |
1 |
518 |
f |
[NAP]A:401 |
x,y,z |
1_555 |
8 |
1 |
905 |
50.0 |
-0.6 |
0.566 |
0 |
0 |
0 |
0.000 |
22 |
|
[WY1]B:402 |
5 |
1 |
517 |
f |
[NAP]B:401 |
x,y,z |
1_555 |
8 |
1 |
903 |
49.0 |
-0.6 |
0.609 |
0 |
0 |
0 |
0.000 |
| Average: |
49.5 |
-0.6 |
0.588 |
0 |
0 |
0 |
0.001 |
| 17 |
23 |
|
[NAP]B:401 |
6 |
1 |
903 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
13625 |
44.5 |
-0.7 |
0.481 |
1 |
0 |
0 |
0.000 |
24 |
|
[NAP]A:401 |
6 |
1 |
905 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
13650 |
44.3 |
-0.6 |
0.488 |
1 |
0 |
0 |
0.000 |
| Average: |
44.4 |
-0.7 |
0.484 |
1 |
0 |
0 |
0.000 |
| 18 |
25 |
|
B |
3 |
2 |
13650 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
2 |
13650 |
14.3 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[NAP]B:401 |
1 |
1 |
903 |
◊ |
[NAP]A:401 |
x,y,z |
1_555 |
1 |
1 |
905 |
9.9 |
0.2 |
0.606 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
A |
1 |
1 |
13625 |
◊ |
[SO4]A:404 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
186 |
5.9 |
-0.6 |
0.894 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[WY1]B:402 |
1 |
1 |
517 |
◊ |
[WY1]A:402 |
x,y,z |
1_555 |
1 |
1 |
518 |
4.8 |
-0.2 |
0.690 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[SO4]A:405 |
1 |
1 |
186 |
f |
[SO4]A:404 |
x,y,z |
1_555 |
1 |
1 |
186 |
1.9 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
|