## |
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 |
60 |
21 |
9236 |
◊ |
A |
x,y,z |
1_555 |
63 |
21 |
8890 |
585.2 |
-2.0 |
0.671 |
8 |
1 |
0 |
0.000 |
2 |
2 |
|
B |
55 |
14 |
9236 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
63 |
20 |
8890 |
535.2 |
-8.1 |
0.187 |
8 |
1 |
0 |
0.000 |
3 |
3 |
|
B |
35 |
10 |
9236 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
41 |
11 |
8890 |
342.4 |
0.4 |
0.693 |
3 |
3 |
0 |
0.000 |
4 |
4 |
|
B |
37 |
11 |
9236 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
34 |
11 |
8890 |
335.3 |
-0.6 |
0.661 |
1 |
3 |
0 |
0.000 |
5 |
5 |
|
A |
32 |
11 |
8890 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
36 |
14 |
9236 |
309.8 |
-3.5 |
0.385 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
[NGH]B:306 |
20 |
1 |
465 |
◊ |
B |
x,y,z |
1_555 |
50 |
17 |
9236 |
293.2 |
1.7 |
0.507 |
5 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
25 |
7 |
9236 |
x |
B |
x-1,y,z |
1_455 |
25 |
7 |
9236 |
224.2 |
-1.0 |
0.583 |
4 |
0 |
0 |
0.000 |
8 |
8 |
|
A |
20 |
5 |
8890 |
x |
A |
x-1,y,z |
1_455 |
23 |
7 |
8890 |
181.4 |
-1.3 |
0.527 |
4 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
22 |
5 |
8890 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
5 |
8890 |
180.2 |
-0.1 |
0.484 |
3 |
0 |
0 |
0.000 |
10 |
10 |
|
B |
23 |
6 |
9236 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
7 |
8890 |
168.8 |
-1.0 |
0.584 |
2 |
0 |
0 |
0.000 |
11 |
11 |
|
[PT]B:307 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
9236 |
56.3 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.036 |
12 |
|
[PT]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
8890 |
51.0 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
53.6 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.036 |
12 |
13 |
|
[CL]B:309 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
9236 |
53.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.007 |
13 |
14 |
|
[CL]B:311 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
9236 |
48.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.008 |
15 |
|
[CL]B:310 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
9236 |
47.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
48.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.008 |
14 |
16 |
|
B |
6 |
3 |
9236 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
1 |
8890 |
47.2 |
0.1 |
0.642 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
[PT]B:308 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9236 |
46.5 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.007 |
16 |
18 |
|
[CA]B:304 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
9236 |
46.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.023 |
19 |
|
[CA]A:304 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
8890 |
44.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
45.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.023 |
17 |
20 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
8890 |
44.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.022 |
21 |
|
[CA]B:305 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
9236 |
44.0 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
44.1 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.022 |
18 |
22 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
9236 |
37.6 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
8890 |
37.2 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
37.4 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[CL]A:307 |
1 |
1 |
125 |
f |
[PT]A:306 |
x,y,z |
1_555 |
1 |
1 |
125 |
34.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.019 |
20 |
25 |
|
[NGH]B:306 |
4 |
1 |
465 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.9 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.012 |
21 |
26 |
|
[CL]B:310 |
1 |
1 |
125 |
f |
[PT]B:308 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.007 |
22 |
27 |
|
B |
5 |
2 |
9236 |
cf |
[ZN]A:301 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
98 |
31.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.010 |
23 |
28 |
|
[CL]B:309 |
1 |
1 |
125 |
f |
[PT]B:307 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.007 |
24 |
29 |
|
[CL]B:311 |
1 |
1 |
125 |
f |
[PT]B:308 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.007 |
25 |
30 |
|
[CL]B:311 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
2 |
8890 |
23.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[CL]B:311 |
1 |
1 |
125 |
f |
[CL]B:310 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.003 |
27 |
32 |
|
B |
2 |
1 |
9236 |
f |
[NGH]B:306 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
465 |
15.8 |
-0.5 |
0.272 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[PT]B:308 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
8890 |
14.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[CL]B:309 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8890 |
7.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
B |
1 |
1 |
9236 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
9236 |
7.5 |
-0.0 |
0.489 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
B |
2 |
1 |
9236 |
f |
[ZN]A:302 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
98 |
7.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.002 |
32 |
37 |
|
B |
1 |
1 |
9236 |
◊ |
[CL]B:310 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
4.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[CL]B:310 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
8890 |
2.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
B |
1 |
1 |
9236 |
◊ |
[CL]B:311 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[CA]B:305 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8890 |
1.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[CA]A:305 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9236 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
B |
1 |
1 |
9236 |
◊ |
[PT]B:308 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[PT]A:306 |
1 |
1 |
125 |
f |
[CA]A:304 |
x,y,z |
1_555 |
1 |
1 |
85 |
0.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|