## |
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 |
55 |
19 |
6637 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
6786 |
564.7 |
-3.2 |
0.260 |
5 |
4 |
0 |
0.000 |
2 |
|
C |
58 |
20 |
6726 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
6637 |
537.6 |
-4.5 |
0.272 |
3 |
4 |
0 |
0.000 |
Average: |
551.1 |
-3.8 |
0.266 |
4 |
4 |
0 |
0.000 |
2 |
3 |
|
C |
62 |
22 |
6726 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
55 |
13 |
6726 |
507.2 |
0.6 |
0.707 |
8 |
3 |
0 |
0.000 |
4 |
|
B |
64 |
23 |
6637 |
x |
B |
-x+2,y-1/2,-z+1 |
2_746 |
51 |
12 |
6637 |
505.0 |
0.6 |
0.667 |
8 |
1 |
0 |
0.000 |
Average: |
506.1 |
0.6 |
0.687 |
8 |
2 |
0 |
0.000 |
3 |
5 |
|
C |
48 |
13 |
6726 |
◊ |
A |
x,y-1,z |
1_545 |
53 |
17 |
6786 |
499.5 |
-2.5 |
0.426 |
5 |
1 |
0 |
0.000 |
4 |
6 |
|
A |
53 |
18 |
6786 |
x |
A |
-x+2,y-1/2,-z+2 |
2_747 |
45 |
9 |
6786 |
441.5 |
2.1 |
0.651 |
4 |
6 |
0 |
0.000 |
5 |
7 |
|
C |
17 |
7 |
6726 |
◊ |
B |
x,y-1,z |
1_545 |
18 |
6 |
6637 |
123.7 |
-0.4 |
0.502 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
8 |
3 |
6637 |
x |
B |
x,y-1,z |
1_545 |
11 |
6 |
6637 |
103.7 |
-1.2 |
0.279 |
0 |
0 |
0 |
0.000 |
9 |
|
C |
7 |
2 |
6726 |
x |
C |
x,y-1,z |
1_545 |
12 |
4 |
6726 |
96.1 |
-1.2 |
0.257 |
0 |
0 |
0 |
0.000 |
Average: |
99.9 |
-1.2 |
0.268 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
6 |
3 |
6786 |
x |
A |
x,y-1,z |
1_545 |
8 |
6 |
6786 |
58.3 |
-0.9 |
0.278 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[CL]C:1125 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
6726 |
50.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.019 |
9 |
12 |
|
[ZN]B:1125 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6637 |
46.3 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.030 |
10 |
13 |
|
[ZN]A:1123 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
9 |
5 |
6786 |
42.1 |
-29.1 |
0.000 |
0 |
0 |
0 |
0.078 |
14 |
|
[ZN]B:1127 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6637 |
39.0 |
-29.0 |
0.000 |
0 |
0 |
0 |
0.078 |
15 |
|
[ZN]B:1126 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6637 |
37.3 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.078 |
16 |
|
[ZN]C:1127 |
1 |
1 |
98 |
f |
A |
x,y-1,z |
1_545 |
8 |
3 |
6786 |
35.1 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.078 |
17 |
|
[ZN]C:1126 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
13 |
5 |
6726 |
33.8 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
37.4 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.078 |
11 |
18 |
|
B |
4 |
2 |
6637 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
2 |
6786 |
37.9 |
1.4 |
0.875 |
1 |
1 |
0 |
0.000 |
12 |
19 |
|
[CL]C:1125 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6637 |
29.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
[ZN]C:1127 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6726 |
29.2 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
|
[ZN]B:1126 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6786 |
25.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
|
[ZN]C:1126 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6637 |
23.6 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
26.2 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
C |
2 |
2 |
6726 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6786 |
24.0 |
-0.1 |
0.400 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[CL]C:1125 |
1 |
1 |
125 |
f |
[ZN]C:1126 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.4 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.029 |
16 |
25 |
|
[ZN]B:1125 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6786 |
20.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[ZN]C:1127 |
1 |
1 |
98 |
f |
[ZN]A:1123 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
17.3 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.022 |
18 |
27 |
|
[ZN]B:1127 |
1 |
1 |
98 |
f |
[ZN]B:1126 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.4 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.014 |
19 |
28 |
|
C |
3 |
2 |
6726 |
◊ |
[ZN]B:1125 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
7.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[ZN]B:1127 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6786 |
7.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
C |
3 |
1 |
6726 |
◊ |
[ZN]A:1123 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
6.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
6.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
|