## |
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 |
139 |
22 |
5508 |
◊ |
A |
x,y,z |
1_555 |
149 |
22 |
5612 |
1233.4 |
-3.9 |
0.991 |
48 |
0 |
0 |
0.062 |
2 |
2 |
|
[RIO]A:27 |
24 |
1 |
586 |
f |
A |
x,y,z |
1_555 |
43 |
8 |
5612 |
283.2 |
-1.9 |
0.449 |
3 |
0 |
0 |
0.018 |
3 |
|
[RIO]B:26 |
24 |
1 |
577 |
f |
B |
x,y,z |
1_555 |
37 |
7 |
5508 |
281.1 |
-2.4 |
0.422 |
4 |
0 |
0 |
0.018 |
Average: |
282.2 |
-2.1 |
0.436 |
4 |
0 |
0 |
0.018 |
3 |
4 |
|
[OMU]A:3 |
21 |
1 |
445 |
cf |
A |
x,y,z |
1_555 |
31 |
2 |
5612 |
222.1 |
0.4 |
0.805 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
[OMU]B:3 |
20 |
1 |
455 |
cf |
B |
x,y,z |
1_555 |
31 |
2 |
5508 |
216.5 |
0.9 |
0.810 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
17 |
5 |
5612 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
18 |
2 |
5612 |
150.1 |
0.7 |
0.714 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
[RIO]B:26 |
15 |
1 |
577 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
5612 |
140.6 |
2.1 |
0.293 |
7 |
0 |
0 |
0.005 |
8 |
|
[RIO]A:27 |
13 |
1 |
586 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
5508 |
139.7 |
1.8 |
0.340 |
6 |
0 |
0 |
0.005 |
Average: |
140.1 |
1.9 |
0.317 |
7 |
0 |
0 |
0.005 |
7 |
9 |
|
B |
17 |
1 |
5508 |
x |
B |
x-1/2,y-1/2,z-1 |
3_444 |
14 |
1 |
5508 |
100.7 |
1.8 |
0.880 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
14 |
1 |
5612 |
x |
A |
x-1/2,y-1/2,z-1 |
3_444 |
17 |
1 |
5612 |
95.6 |
1.6 |
0.854 |
0 |
0 |
0 |
0.000 |
Average: |
98.2 |
1.7 |
0.867 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[K]A:25 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
5612 |
97.7 |
-50.4 |
0.000 |
0 |
0 |
0 |
0.241 |
12 |
|
[K]B:24 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
5508 |
94.3 |
-47.7 |
0.000 |
0 |
0 |
0 |
0.241 |
Average: |
96.0 |
-49.1 |
0.000 |
0 |
0 |
0 |
0.241 |
9 |
13 |
|
B |
15 |
3 |
5508 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
12 |
2 |
5508 |
96.3 |
2.1 |
0.878 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
A |
12 |
3 |
5612 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
2 |
5508 |
95.0 |
-2.1 |
0.599 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
A |
15 |
3 |
5612 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
10 |
2 |
5508 |
85.7 |
0.4 |
0.746 |
3 |
0 |
0 |
0.000 |
12 |
16 |
|
B |
12 |
2 |
5508 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
2 |
5612 |
84.2 |
-2.2 |
0.560 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[K]A:24 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
5508 |
78.3 |
-48.4 |
0.000 |
0 |
0 |
0 |
0.119 |
14 |
18 |
|
[K]A:24 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
5612 |
74.2 |
-44.1 |
0.000 |
0 |
0 |
0 |
0.108 |
15 |
19 |
|
[OMU]A:3 |
10 |
1 |
445 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
5508 |
68.3 |
1.6 |
0.781 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[K]A:25 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
5508 |
68.3 |
-37.3 |
0.000 |
0 |
0 |
0 |
0.171 |
21 |
|
[K]B:24 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
5612 |
62.6 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
65.4 |
-34.9 |
0.000 |
0 |
0 |
0 |
0.171 |
17 |
22 |
|
B |
11 |
3 |
5508 |
f |
[K]B:25 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
216 |
63.4 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.086 |
18 |
23 |
|
[OMU]B:3 |
9 |
1 |
455 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
5612 |
62.7 |
1.5 |
0.754 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
B |
6 |
2 |
5508 |
◊ |
[OMU]B:3 |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
1 |
455 |
59.8 |
-0.4 |
0.584 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
B |
6 |
3 |
5508 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
5612 |
56.9 |
-0.4 |
0.570 |
2 |
0 |
0 |
0.000 |
21 |
26 |
|
[CL]A:26 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
5612 |
56.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.016 |
22 |
27 |
|
[K]B:25 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
5508 |
56.1 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[K]A:25 |
1 |
1 |
216 |
f |
[OMU]A:3 |
x,y,z |
1_555 |
5 |
1 |
445 |
50.1 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.110 |
29 |
|
[K]B:24 |
1 |
1 |
216 |
f |
[OMU]B:3 |
x,y,z |
1_555 |
5 |
1 |
455 |
46.8 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
48.4 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.110 |
24 |
30 |
|
[K]B:25 |
1 |
1 |
216 |
◊ |
[OMU]B:3 |
x,y,z |
1_555 |
5 |
1 |
455 |
49.5 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
A |
6 |
1 |
5612 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
6 |
1 |
5508 |
47.4 |
0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
A |
8 |
3 |
5612 |
◊ |
[OMU]B:3 |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
1 |
455 |
42.9 |
-1.6 |
0.451 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
B |
6 |
3 |
5508 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
5508 |
39.6 |
-2.4 |
0.397 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
A |
5 |
1 |
5612 |
◊ |
A |
-x,y,-z |
2_555 |
5 |
1 |
5612 |
37.8 |
-0.9 |
0.558 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[K]A:24 |
1 |
1 |
216 |
f |
[RIO]B:26 |
x,y,z |
1_555 |
7 |
1 |
577 |
37.5 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.048 |
30 |
36 |
|
A |
4 |
1 |
5612 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
5612 |
27.7 |
-1.1 |
0.493 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[OMU]A:3 |
3 |
1 |
445 |
◊ |
A |
-x,y,-z |
2_555 |
4 |
1 |
5612 |
24.4 |
-0.3 |
0.494 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[RIO]B:26 |
3 |
1 |
577 |
◊ |
[RIO]A:27 |
x,y,z |
1_555 |
2 |
1 |
586 |
18.5 |
0.1 |
0.291 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[CL]A:26 |
1 |
1 |
125 |
f |
[K]B:24 |
x,y,z |
1_555 |
1 |
1 |
216 |
14.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.020 |
34 |
40 |
|
B |
4 |
1 |
5508 |
◊ |
A |
x-1/2,y-1/2,z-1 |
3_444 |
5 |
1 |
5612 |
13.1 |
0.2 |
0.652 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[CL]A:26 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
5508 |
9.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.004 |
36 |
42 |
|
B |
1 |
1 |
5508 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
5612 |
1.2 |
-0.1 |
0.311 |
0 |
0 |
0 |
0.000 |
|