## |
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 |
179 |
46 |
19963 |
◊ |
A |
x,y,z |
1_555 |
172 |
44 |
19892 |
1870.7 |
-32.4 |
0.000 |
19 |
3 |
0 |
0.204 |
2 |
|
D |
181 |
47 |
19952 |
◊ |
C |
x,y,z |
1_555 |
175 |
45 |
19725 |
1860.7 |
-29.2 |
0.002 |
20 |
2 |
0 |
0.204 |
Average: |
1865.7 |
-30.8 |
0.001 |
20 |
3 |
0 |
0.204 |
2 |
3 |
|
D |
119 |
39 |
19952 |
◊ |
B |
x,y,z |
1_555 |
117 |
39 |
19963 |
1143.9 |
-8.2 |
0.281 |
22 |
1 |
0 |
0.110 |
4 |
|
C |
118 |
40 |
19725 |
◊ |
A |
x,y,z |
1_555 |
119 |
39 |
19892 |
1139.5 |
-10.0 |
0.201 |
22 |
1 |
0 |
0.110 |
Average: |
1141.7 |
-9.1 |
0.241 |
22 |
1 |
0 |
0.110 |
3 |
5 |
|
B |
48 |
14 |
19963 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
46 |
13 |
19963 |
443.7 |
0.7 |
0.679 |
5 |
2 |
0 |
0.000 |
6 |
|
A |
41 |
12 |
19892 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
43 |
12 |
19892 |
375.2 |
0.8 |
0.712 |
3 |
0 |
0 |
0.000 |
Average: |
409.5 |
0.8 |
0.695 |
4 |
1 |
0 |
0.000 |
4 |
7 |
|
D |
41 |
11 |
19952 |
◊ |
C |
x,y-1,z |
1_545 |
36 |
11 |
19725 |
410.2 |
-0.4 |
0.601 |
4 |
6 |
0 |
0.000 |
5 |
8 |
|
C |
33 |
12 |
19725 |
x |
C |
-x+2,y-1/2,-z+1 |
2_746 |
29 |
10 |
19725 |
308.3 |
2.4 |
0.872 |
4 |
5 |
0 |
0.000 |
6 |
9 |
|
A |
12 |
6 |
19892 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
7 |
19725 |
142.5 |
-1.0 |
0.475 |
3 |
0 |
0 |
0.000 |
10 |
|
D |
22 |
8 |
19952 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
13 |
6 |
19963 |
140.6 |
-1.0 |
0.461 |
1 |
0 |
0 |
0.000 |
Average: |
141.6 |
-1.0 |
0.468 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
[DUC]B:604 |
8 |
1 |
239 |
f |
B |
x,y,z |
1_555 |
29 |
15 |
19963 |
141.7 |
0.8 |
0.155 |
4 |
0 |
0 |
0.006 |
8 |
12 |
|
[DUC]C:604 |
8 |
1 |
242 |
f |
C |
x,y,z |
1_555 |
27 |
14 |
19725 |
138.3 |
1.0 |
0.163 |
5 |
0 |
0 |
0.007 |
9 |
13 |
|
[DUC]A:604 |
8 |
1 |
241 |
f |
A |
x,y,z |
1_555 |
29 |
13 |
19892 |
138.0 |
1.6 |
0.408 |
4 |
0 |
0 |
0.003 |
14 |
|
[DUC]D:604 |
8 |
1 |
240 |
f |
D |
x,y,z |
1_555 |
29 |
13 |
19952 |
135.3 |
1.6 |
0.400 |
5 |
0 |
0 |
0.003 |
Average: |
136.6 |
1.6 |
0.404 |
5 |
0 |
0 |
0.003 |
10 |
15 |
|
A |
12 |
3 |
19892 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
14 |
3 |
19725 |
112.3 |
-1.5 |
0.307 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
A |
9 |
4 |
19892 |
◊ |
C |
x-1,y,z |
1_455 |
13 |
4 |
19725 |
103.0 |
-0.3 |
0.534 |
2 |
0 |
0 |
0.000 |
17 |
|
B |
14 |
4 |
19963 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
5 |
19952 |
97.8 |
-0.3 |
0.516 |
1 |
0 |
0 |
0.000 |
Average: |
100.4 |
-0.3 |
0.525 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
D |
5 |
2 |
19952 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
10 |
4 |
19963 |
62.3 |
0.2 |
0.644 |
2 |
0 |
0 |
0.000 |
13 |
19 |
|
D |
9 |
6 |
19952 |
x |
D |
-x+2,y-1/2,-z |
2_745 |
10 |
5 |
19952 |
40.9 |
0.6 |
0.725 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[ZN]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
19963 |
36.6 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.285 |
21 |
|
[ZN]C:602 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
9 |
19725 |
35.7 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.285 |
22 |
|
[ZN]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
19892 |
35.3 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.285 |
23 |
|
[ZN]D:602 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
19952 |
34.1 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.285 |
Average: |
35.4 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.285 |
15 |
24 |
|
[ZN]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
19963 |
35.8 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.279 |
25 |
|
[ZN]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
19725 |
34.0 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.279 |
26 |
|
[ZN]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
19892 |
32.6 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.279 |
27 |
|
[ZN]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
19952 |
31.8 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.279 |
Average: |
33.6 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.279 |
16 |
28 |
|
D |
5 |
3 |
19952 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
2 |
19963 |
34.7 |
0.5 |
0.778 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
3 |
2 |
19892 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
2 |
19725 |
18.8 |
-0.5 |
0.365 |
0 |
0 |
0 |
0.000 |
Average: |
26.8 |
0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
[DUC]D:604 |
5 |
1 |
240 |
f |
[ZN]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.121 |
31 |
|
[DUC]C:604 |
6 |
1 |
242 |
f |
[ZN]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.121 |
32 |
|
[DUC]A:604 |
6 |
1 |
241 |
f |
[ZN]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.121 |
33 |
|
[DUC]B:604 |
6 |
1 |
239 |
f |
[ZN]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
24.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.121 |
18 |
34 |
|
[DUC]D:604 |
4 |
1 |
240 |
f |
[ZN]D:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.3 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.117 |
35 |
|
[DUC]A:604 |
4 |
1 |
241 |
f |
[ZN]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.117 |
36 |
|
[DUC]C:604 |
3 |
1 |
242 |
f |
[ZN]C:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.117 |
37 |
|
[DUC]B:604 |
3 |
1 |
239 |
f |
[ZN]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
24.6 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.117 |
19 |
38 |
|
A |
1 |
1 |
19892 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
19952 |
13.0 |
0.3 |
0.829 |
0 |
0 |
0 |
0.000 |
20 |
39 |
|
[ZN]C:602 |
1 |
1 |
98 |
f |
[ZN]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.051 |
21 |
40 |
|
[ZN]B:602 |
1 |
1 |
98 |
f |
[ZN]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.047 |
22 |
41 |
|
[ZN]D:602 |
1 |
1 |
98 |
f |
[ZN]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.045 |
23 |
42 |
|
[ZN]A:602 |
1 |
1 |
98 |
f |
[ZN]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.044 |
24 |
43 |
|
A |
3 |
1 |
19892 |
x |
A |
x,y-1,z |
1_545 |
2 |
1 |
19892 |
9.6 |
0.2 |
0.729 |
0 |
0 |
0 |
0.000 |
44 |
|
B |
3 |
2 |
19963 |
x |
B |
x,y-1,z |
1_545 |
3 |
1 |
19963 |
8.5 |
0.2 |
0.700 |
0 |
0 |
0 |
0.000 |
Average: |
9.0 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
25 |
45 |
|
C |
1 |
1 |
19725 |
x |
C |
x,y-1,z |
1_545 |
2 |
1 |
19725 |
8.9 |
-0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
46 |
|
D |
1 |
1 |
19952 |
x |
D |
x,y-1,z |
1_545 |
1 |
1 |
19952 |
7.3 |
-0.0 |
0.444 |
0 |
0 |
0 |
0.000 |
Average: |
8.1 |
-0.0 |
0.493 |
0 |
0 |
0 |
0.000 |
|