## |
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 |
|
A |
63 |
19 |
14122 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
43 |
16 |
14122 |
453.5 |
3.6 |
0.912 |
5 |
6 |
0 |
0.000 |
2 |
2 |
|
A |
57 |
19 |
14122 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
47 |
13 |
14122 |
420.5 |
1.2 |
0.724 |
2 |
1 |
0 |
0.000 |
3 |
3 |
|
A |
28 |
11 |
14122 |
x |
A |
x-1,y,z |
1_455 |
29 |
8 |
14122 |
239.9 |
-0.1 |
0.588 |
3 |
2 |
0 |
0.000 |
4 |
4 |
|
A |
22 |
6 |
14122 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
33 |
12 |
14122 |
206.9 |
3.8 |
0.936 |
3 |
6 |
0 |
0.000 |
5 |
5 |
|
[CL]A:515 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
14122 |
62.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.002 |
6 |
6 |
|
[CL]A:519 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
14122 |
56.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.004 |
7 |
|
[CL]A:518 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14122 |
55.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
55.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.004 |
7 |
8 |
|
[ZN]A:510 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14122 |
49.0 |
-28.7 |
0.000 |
0 |
0 |
0 |
0.009 |
8 |
9 |
|
[CL]A:516 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
11 |
5 |
14122 |
48.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
10 |
|
[CL]A:517 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
7 |
3 |
14122 |
35.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
41.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
[CL]A:520 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
12 |
4 |
14122 |
48.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[ZN]A:506 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14122 |
46.1 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.008 |
11 |
13 |
|
[CL]A:514 |
1 |
1 |
125 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
9 |
2 |
14122 |
45.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[CL]A:521 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14122 |
44.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.002 |
13 |
15 |
|
A |
8 |
4 |
14122 |
◊ |
[ZN]A:505 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
98 |
40.7 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[ZN]A:509 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
14122 |
40.0 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.006 |
15 |
17 |
|
[ZN]A:512 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
14122 |
40.0 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.005 |
16 |
18 |
|
A |
6 |
3 |
14122 |
◊ |
[ZN]A:509 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
98 |
39.0 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[ZN]A:507 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14122 |
38.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.006 |
18 |
20 |
|
[CL]A:520 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14122 |
37.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.001 |
19 |
21 |
|
[CL]A:517 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14122 |
35.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.001 |
20 |
22 |
|
[ZN]A:505 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
6 |
3 |
14122 |
35.4 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.005 |
21 |
23 |
|
[ZN]A:511 |
1 |
1 |
98 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
2 |
14122 |
35.2 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[ZN]A:511 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
14122 |
35.2 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.005 |
23 |
25 |
|
[CL]A:514 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
14122 |
34.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.001 |
24 |
26 |
|
A |
5 |
2 |
14122 |
◊ |
[ZN]A:513 |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
98 |
34.6 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[ZN]A:508 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14122 |
30.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
32.7 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14122 |
34.1 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.004 |
26 |
29 |
|
[ZN]A:513 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14122 |
33.1 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[ZN]A:508 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
6 |
3 |
14122 |
20.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
26.6 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[ZN]A:508 |
1 |
1 |
98 |
f |
A |
x-1,y,z |
1_455 |
8 |
3 |
14122 |
32.8 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.004 |
28 |
32 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
14122 |
32.0 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.005 |
29 |
33 |
|
[ZN]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14122 |
30.9 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.004 |
30 |
34 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
2 |
14122 |
30.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.003 |
31 |
35 |
|
[ZN]A:507 |
1 |
1 |
98 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
3 |
14122 |
30.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[ZN]A:504 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
2 |
14122 |
29.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[CL]A:521 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
14122 |
29.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[CL]A:519 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
2 |
14122 |
27.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[CL]A:518 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
3 |
14122 |
27.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[CL]A:516 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
14122 |
27.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[CL]A:514 |
1 |
1 |
125 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.004 |
38 |
42 |
|
[ZN]A:502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
14122 |
23.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
[ZN]A:503 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
3 |
14122 |
22.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[CL]A:521 |
1 |
1 |
125 |
f |
[ZN]A:504 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.003 |
41 |
45 |
|
[CL]A:518 |
1 |
1 |
125 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.4 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.003 |
42 |
46 |
|
[CL]A:516 |
1 |
1 |
125 |
◊ |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[CL]A:517 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
1 |
14122 |
19.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[CL]A:516 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
14122 |
10.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
14.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[CL]A:515 |
1 |
1 |
125 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.003 |
45 |
50 |
|
[CL]A:517 |
1 |
1 |
125 |
◊ |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[CL]A:519 |
1 |
1 |
125 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.003 |
47 |
52 |
|
[ZN]A:501 |
1 |
1 |
98 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
14122 |
17.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
[CL]A:515 |
1 |
1 |
125 |
f |
[CL]A:514 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.001 |
49 |
54 |
|
[CL]A:520 |
1 |
1 |
125 |
f |
[ZN]A:504 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.002 |
50 |
55 |
|
[CL]A:517 |
1 |
1 |
125 |
f |
[CL]A:516 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
56 |
|
[CL]A:519 |
1 |
1 |
125 |
f |
[CL]A:518 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
57 |
|
[CL]A:521 |
1 |
1 |
125 |
f |
[CL]A:520 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[CL]A:515 |
1 |
1 |
125 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
14122 |
13.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
59 |
|
[ZN]A:508 |
1 |
1 |
98 |
f |
[ZN]A:513 |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
98 |
11.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.003 |
|