## |
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 |
|
C |
127 |
31 |
6121 |
◊ |
A |
x,y,z |
1_555 |
126 |
43 |
11791 |
1158.6 |
3.2 |
0.844 |
26 |
11 |
0 |
0.094 |
2 |
|
D |
123 |
30 |
6181 |
◊ |
B |
x,y,z |
1_555 |
128 |
43 |
11713 |
1139.8 |
3.5 |
0.847 |
24 |
12 |
0 |
0.094 |
Average: |
1149.2 |
3.4 |
0.845 |
25 |
12 |
0 |
0.094 |
2 |
3 |
|
D |
50 |
18 |
6181 |
◊ |
A |
x,y,z |
1_555 |
40 |
10 |
11791 |
398.8 |
-2.1 |
0.475 |
5 |
1 |
0 |
0.000 |
3 |
4 |
|
D |
46 |
16 |
6181 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
47 |
13 |
11791 |
372.6 |
-1.5 |
0.516 |
7 |
0 |
0 |
0.019 |
4 |
5 |
|
A |
33 |
10 |
11791 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
35 |
9 |
11791 |
315.2 |
-2.4 |
0.293 |
5 |
2 |
0 |
0.000 |
5 |
6 |
|
B |
36 |
10 |
11713 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
32 |
8 |
11713 |
314.0 |
-2.1 |
0.346 |
4 |
5 |
0 |
0.000 |
6 |
7 |
|
B |
34 |
9 |
11713 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
30 |
8 |
11791 |
284.4 |
1.1 |
0.709 |
4 |
4 |
0 |
0.006 |
7 |
8 |
|
A |
16 |
6 |
11791 |
◊ |
C |
x-1,y,z |
1_455 |
23 |
8 |
6121 |
169.0 |
-0.8 |
0.495 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
24 |
8 |
11791 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
12 |
6121 |
156.3 |
-0.9 |
0.517 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
D |
15 |
5 |
6181 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
13 |
4 |
11713 |
94.6 |
0.2 |
0.527 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
D |
11 |
4 |
6181 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
4 |
11713 |
91.7 |
-0.9 |
0.378 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[CL]A:305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
11791 |
76.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.078 |
12 |
13 |
|
[ZN]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
6121 |
47.6 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.300 |
14 |
|
[ZN]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
6181 |
46.3 |
-28.4 |
0.000 |
0 |
0 |
0 |
0.300 |
Average: |
46.9 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.300 |
13 |
15 |
|
[CL]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
11791 |
46.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.045 |
14 |
16 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11713 |
42.8 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.180 |
17 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
6 |
4 |
11791 |
35.4 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.180 |
Average: |
39.1 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.180 |
15 |
18 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
11713 |
42.0 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.213 |
19 |
|
[ZN]A:304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
11791 |
39.8 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.213 |
Average: |
40.9 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.213 |
16 |
20 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
11713 |
39.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.045 |
17 |
21 |
|
[ZN]A:301 |
1 |
1 |
98 |
cf |
A |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
11791 |
38.9 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.239 |
22 |
|
B |
7 |
3 |
11713 |
f |
[ZN]B:302 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
98 |
38.6 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.239 |
Average: |
38.7 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.239 |
18 |
23 |
|
B |
5 |
2 |
11713 |
◊ |
[ZN]A:304 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
37.8 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.171 |
24 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
6 |
3 |
11791 |
36.9 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
37.3 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.171 |
19 |
25 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
11791 |
36.0 |
-17.3 |
0.000 |
0 |
0 |
0 |
0.122 |
20 |
26 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
11791 |
35.4 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.111 |
21 |
27 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
11791 |
34.8 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11791 |
34.4 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[ZN]B:302 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11713 |
34.4 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
34.4 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
B |
6 |
4 |
11713 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11791 |
29.3 |
-0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[CL]A:306 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
11791 |
29.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[ZN]D:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
11713 |
26.5 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.108 |
33 |
|
[ZN]C:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
11791 |
18.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
22.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.108 |
26 |
34 |
|
B |
4 |
2 |
11713 |
x |
B |
-x,y-1/2,-z |
2_545 |
4 |
2 |
11713 |
20.9 |
0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
[ZN]A:302 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
6121 |
6.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.020 |
28 |
36 |
|
[CL]A:306 |
1 |
1 |
125 |
◊ |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
D |
1 |
1 |
6181 |
◊ |
[ZN]A:302 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
0.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|