## |
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 |
|
D |
182 |
51 |
17222 |
◊ |
C |
x,y,z |
1_555 |
168 |
39 |
6742 |
1638.4 |
-12.7 |
0.340 |
25 |
12 |
0 |
1.000 |
2 |
|
F |
179 |
51 |
17206 |
◊ |
E |
x,y,z |
1_555 |
164 |
40 |
6671 |
1608.4 |
-11.7 |
0.385 |
25 |
12 |
0 |
1.000 |
Average: |
1623.4 |
-12.2 |
0.363 |
25 |
12 |
0 |
1.000 |
2 |
3 |
|
D |
128 |
37 |
17222 |
◊ |
E |
x,y,z |
1_555 |
134 |
43 |
6671 |
1266.4 |
-7.6 |
0.188 |
19 |
3 |
0 |
1.000 |
4 |
|
F |
131 |
37 |
17206 |
◊ |
C |
x,y,z |
1_555 |
134 |
42 |
6742 |
1263.1 |
-8.4 |
0.139 |
17 |
3 |
0 |
1.000 |
Average: |
1264.8 |
-8.0 |
0.164 |
18 |
3 |
0 |
1.000 |
3 |
5 |
|
C |
84 |
24 |
6742 |
◊ |
A |
x,y,z |
1_555 |
79 |
27 |
16390 |
843.0 |
-9.6 |
0.176 |
13 |
3 |
0 |
0.201 |
6 |
|
E |
88 |
26 |
6671 |
◊ |
B |
x,y,z |
1_555 |
83 |
28 |
16339 |
842.8 |
-9.7 |
0.195 |
12 |
3 |
0 |
0.201 |
Average: |
842.9 |
-9.7 |
0.186 |
13 |
3 |
0 |
0.201 |
4 |
7 |
|
F |
73 |
20 |
17206 |
◊ |
D |
x,y,z |
1_555 |
71 |
20 |
17222 |
652.4 |
-4.0 |
0.414 |
7 |
14 |
0 |
0.100 |
5 |
8 |
|
[HEC]A:402 |
43 |
1 |
850 |
cf |
A |
x,y,z |
1_555 |
80 |
33 |
16390 |
641.7 |
-21.4 |
0.402 |
6 |
0 |
0 |
0.314 |
9 |
|
[HEC]B:402 |
43 |
1 |
855 |
cf |
B |
x,y,z |
1_555 |
83 |
34 |
16339 |
640.9 |
-21.7 |
0.411 |
7 |
0 |
0 |
0.314 |
Average: |
641.3 |
-21.6 |
0.406 |
7 |
0 |
0 |
0.314 |
6 |
10 |
|
[HEC]A:403 |
43 |
1 |
851 |
cf |
A |
x,y,z |
1_555 |
83 |
32 |
16390 |
627.7 |
-24.6 |
0.171 |
3 |
0 |
0 |
0.329 |
11 |
|
[HEC]B:403 |
43 |
1 |
844 |
cf |
B |
x,y,z |
1_555 |
83 |
32 |
16339 |
626.4 |
-24.5 |
0.156 |
3 |
0 |
0 |
0.329 |
Average: |
627.1 |
-24.6 |
0.164 |
3 |
0 |
0 |
0.329 |
7 |
12 |
|
F |
44 |
14 |
17206 |
◊ |
B |
x,y,z |
1_555 |
42 |
12 |
16339 |
425.7 |
0.0 |
0.666 |
6 |
3 |
0 |
0.025 |
13 |
|
D |
44 |
15 |
17222 |
◊ |
A |
x,y,z |
1_555 |
41 |
12 |
16390 |
406.1 |
0.5 |
0.675 |
7 |
5 |
0 |
0.025 |
Average: |
415.9 |
0.2 |
0.670 |
7 |
4 |
0 |
0.025 |
8 |
14 |
|
E |
42 |
13 |
6671 |
◊ |
B |
x-1,y,z |
1_455 |
36 |
12 |
16339 |
373.4 |
-5.5 |
0.186 |
4 |
0 |
0 |
0.000 |
9 |
15 |
|
A |
31 |
10 |
16390 |
◊ |
F |
x,y-1,z-1 |
1_544 |
34 |
14 |
17206 |
302.0 |
-0.8 |
0.581 |
1 |
4 |
0 |
0.000 |
10 |
16 |
|
A |
35 |
12 |
16390 |
◊ |
B |
x,y,z-1 |
1_554 |
37 |
12 |
16339 |
299.3 |
0.6 |
0.710 |
2 |
6 |
0 |
0.000 |
11 |
17 |
|
D |
29 |
8 |
17222 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
16339 |
283.5 |
0.4 |
0.668 |
7 |
0 |
0 |
0.027 |
18 |
|
F |
26 |
7 |
17206 |
◊ |
A |
x,y,z |
1_555 |
33 |
7 |
16390 |
261.1 |
0.2 |
0.628 |
5 |
2 |
0 |
0.027 |
Average: |
272.3 |
0.3 |
0.648 |
6 |
1 |
0 |
0.027 |
12 |
19 |
|
F |
22 |
7 |
17206 |
x |
F |
x-1,y,z |
1_455 |
20 |
5 |
17206 |
218.7 |
-0.2 |
0.518 |
5 |
1 |
0 |
0.000 |
13 |
20 |
|
C |
22 |
8 |
6742 |
◊ |
A |
x-1,y,z |
1_455 |
21 |
11 |
16390 |
213.9 |
1.2 |
0.807 |
3 |
2 |
0 |
0.000 |
14 |
21 |
|
A |
25 |
8 |
16390 |
◊ |
B |
x,y-1,z-1 |
1_544 |
24 |
8 |
16339 |
172.3 |
-0.2 |
0.628 |
1 |
1 |
0 |
0.000 |
15 |
22 |
|
D |
19 |
11 |
17222 |
◊ |
F |
x,y-1,z |
1_545 |
20 |
9 |
17206 |
144.1 |
2.0 |
0.844 |
1 |
1 |
0 |
0.000 |
16 |
23 |
|
D |
14 |
6 |
17222 |
x |
D |
x-1,y,z |
1_455 |
18 |
6 |
17222 |
140.1 |
1.4 |
0.808 |
1 |
0 |
0 |
0.000 |
17 |
24 |
|
A |
9 |
3 |
16390 |
◊ |
D |
x,y,z-1 |
1_554 |
9 |
5 |
17222 |
113.2 |
0.1 |
0.643 |
1 |
2 |
0 |
0.000 |
25 |
|
F |
12 |
6 |
17206 |
◊ |
B |
x,y,z-1 |
1_554 |
10 |
4 |
16339 |
112.1 |
-0.1 |
0.602 |
2 |
2 |
0 |
0.000 |
Average: |
112.7 |
-0.0 |
0.623 |
2 |
2 |
0 |
0.000 |
18 |
26 |
|
D |
13 |
4 |
17222 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
3 |
16390 |
85.2 |
0.0 |
0.634 |
1 |
0 |
0 |
0.000 |
19 |
27 |
|
D |
8 |
3 |
17222 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
2 |
16339 |
74.1 |
-1.4 |
0.281 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
A |
10 |
3 |
16390 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
11 |
2 |
16339 |
61.5 |
-0.7 |
0.484 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
D |
7 |
4 |
17222 |
◊ |
F |
x-1,y-1,z |
1_445 |
8 |
4 |
17206 |
55.6 |
1.5 |
0.832 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[CA]B:401 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
16339 |
47.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.142 |
31 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
16390 |
45.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.142 |
Average: |
46.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.142 |
23 |
32 |
|
A |
7 |
3 |
16390 |
x |
A |
x-1,y,z |
1_455 |
6 |
3 |
16390 |
43.5 |
-0.5 |
0.462 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
D |
2 |
1 |
17222 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
3 |
3 |
16339 |
20.1 |
-0.3 |
0.354 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[HEC]A:403 |
3 |
1 |
851 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.023 |
35 |
|
[HEC]B:403 |
3 |
1 |
844 |
f |
[CA]B:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
9.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.023 |
26 |
36 |
|
F |
1 |
1 |
17206 |
◊ |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
16339 |
1.7 |
0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
|