## |
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 |
256 |
64 |
19641 |
◊ |
A |
x,y,z |
1_555 |
271 |
67 |
17484 |
2739.8 |
-39.7 |
0.443 |
17 |
3 |
0 |
0.462 |
2 |
|
D |
254 |
64 |
19657 |
◊ |
C |
x,y,z |
1_555 |
272 |
68 |
17461 |
2738.3 |
-40.7 |
0.380 |
17 |
3 |
0 |
0.462 |
Average: |
2739.0 |
-40.2 |
0.412 |
17 |
3 |
0 |
0.462 |
2 |
3 |
|
D |
115 |
36 |
19657 |
◊ |
B |
x,y,z |
1_555 |
123 |
38 |
19641 |
1118.9 |
-13.7 |
0.629 |
12 |
2 |
0 |
0.237 |
3 |
4 |
|
C |
40 |
14 |
17461 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
47 |
17 |
19657 |
358.3 |
-3.4 |
0.743 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
43 |
13 |
17484 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
41 |
11 |
19641 |
322.0 |
-5.0 |
0.602 |
0 |
0 |
0 |
0.000 |
Average: |
340.2 |
-4.2 |
0.672 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
40 |
10 |
17461 |
◊ |
B |
x,y,z |
1_555 |
35 |
9 |
19641 |
348.1 |
1.0 |
0.938 |
6 |
1 |
0 |
0.013 |
7 |
|
D |
36 |
9 |
19657 |
◊ |
A |
x,y,z |
1_555 |
38 |
10 |
17484 |
314.9 |
0.3 |
0.919 |
4 |
0 |
0 |
0.013 |
Average: |
331.5 |
0.7 |
0.929 |
5 |
1 |
0 |
0.013 |
5 |
8 |
|
[MYS]D:601 |
15 |
1 |
518 |
◊ |
D |
x,y,z |
1_555 |
27 |
9 |
19657 |
190.3 |
-0.3 |
0.127 |
0 |
0 |
0 |
0.003 |
9 |
|
[MYS]B:501 |
15 |
1 |
518 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
19641 |
190.1 |
-0.3 |
0.123 |
0 |
0 |
0 |
0.003 |
Average: |
190.2 |
-0.3 |
0.125 |
0 |
0 |
0 |
0.003 |
6 |
10 |
|
[MYS]B:501 |
11 |
1 |
518 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17484 |
137.6 |
-1.2 |
0.077 |
0 |
0 |
0 |
0.011 |
11 |
|
[MYS]D:601 |
11 |
1 |
518 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
17461 |
135.7 |
-1.2 |
0.082 |
0 |
0 |
0 |
0.011 |
Average: |
136.7 |
-1.2 |
0.080 |
0 |
0 |
0 |
0.011 |
7 |
12 |
|
[OCT]A:502 |
8 |
1 |
326 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
17484 |
98.5 |
2.3 |
0.715 |
0 |
0 |
0 |
0.000 |
13 |
|
[OCT]C:602 |
8 |
1 |
327 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
17461 |
97.8 |
2.3 |
0.697 |
0 |
0 |
0 |
0.000 |
Average: |
98.1 |
2.3 |
0.706 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
[SO4]A:506 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
17484 |
91.1 |
-14.3 |
0.904 |
5 |
0 |
0 |
0.157 |
15 |
|
[SO4]C:606 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
17461 |
90.2 |
-14.2 |
0.904 |
5 |
0 |
0 |
0.157 |
Average: |
90.7 |
-14.2 |
0.904 |
5 |
0 |
0 |
0.157 |
9 |
16 |
|
[SO4]B:505 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
19641 |
72.6 |
-8.5 |
0.816 |
2 |
0 |
0 |
0.226 |
17 |
|
[SO4]B:605 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
19657 |
70.4 |
-8.1 |
0.815 |
2 |
0 |
0 |
0.226 |
Average: |
71.5 |
-8.3 |
0.816 |
2 |
0 |
0 |
0.226 |
10 |
18 |
|
[SO4]B:605 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
19641 |
66.6 |
-9.8 |
0.800 |
2 |
0 |
0 |
0.255 |
19 |
|
[SO4]B:505 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
19657 |
64.5 |
-9.1 |
0.806 |
2 |
0 |
0 |
0.255 |
Average: |
65.5 |
-9.5 |
0.803 |
2 |
0 |
0 |
0.255 |
11 |
20 |
|
[CL]D:604 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
8 |
19657 |
65.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.307 |
21 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
8 |
19641 |
65.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.307 |
22 |
|
[CL]C:603 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
17461 |
65.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.307 |
23 |
|
[CL]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
17484 |
65.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.307 |
Average: |
65.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.307 |
12 |
24 |
|
[OCT]C:602 |
8 |
1 |
327 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
19657 |
60.7 |
1.1 |
0.408 |
0 |
0 |
0 |
0.000 |
25 |
|
[OCT]A:502 |
8 |
1 |
326 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
19641 |
60.7 |
1.1 |
0.406 |
0 |
0 |
0 |
0.000 |
Average: |
60.7 |
1.1 |
0.407 |
0 |
0 |
0 |
0.000 |
13 |
26 |
|
[SO4]A:506 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
19641 |
54.8 |
-6.8 |
0.906 |
1 |
0 |
0 |
0.069 |
27 |
|
[SO4]C:606 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
19657 |
54.6 |
-6.8 |
0.903 |
1 |
0 |
0 |
0.069 |
Average: |
54.7 |
-6.8 |
0.904 |
1 |
0 |
0 |
0.069 |
14 |
28 |
|
[SO4]B:505 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
17484 |
32.3 |
-3.1 |
0.976 |
2 |
0 |
0 |
0.030 |
29 |
|
[SO4]B:605 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
17461 |
31.0 |
-2.9 |
0.976 |
2 |
0 |
0 |
0.030 |
Average: |
31.7 |
-3.0 |
0.976 |
2 |
0 |
0 |
0.030 |
|