## |
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 |
110 |
26 |
4726 |
◊ |
A |
x,y,z |
1_555 |
134 |
41 |
9392 |
1165.8 |
-14.7 |
0.133 |
19 |
2 |
0 |
0.400 |
2 |
|
D |
98 |
26 |
4846 |
◊ |
C |
x,y,z |
1_555 |
133 |
38 |
9081 |
1151.5 |
-17.0 |
0.070 |
17 |
3 |
0 |
0.400 |
Average: |
1158.6 |
-15.8 |
0.102 |
18 |
3 |
0 |
0.400 |
2 |
3 |
|
A |
62 |
18 |
9392 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
58 |
16 |
9392 |
544.5 |
-2.1 |
0.744 |
7 |
0 |
0 |
0.000 |
4 |
|
C |
53 |
16 |
9081 |
x |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
53 |
14 |
9081 |
468.3 |
-2.5 |
0.716 |
8 |
0 |
0 |
0.000 |
Average: |
506.4 |
-2.3 |
0.730 |
8 |
0 |
0 |
0.000 |
3 |
5 |
|
D |
35 |
10 |
4846 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
9392 |
312.9 |
-1.8 |
0.533 |
1 |
1 |
0 |
0.000 |
4 |
6 |
|
D |
25 |
9 |
4846 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
28 |
9 |
9081 |
277.7 |
-2.6 |
0.393 |
2 |
1 |
0 |
0.000 |
5 |
7 |
|
A |
18 |
6 |
9392 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
8 |
4726 |
162.9 |
-1.2 |
0.497 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
C |
13 |
4 |
9081 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
19 |
6 |
4726 |
141.4 |
0.1 |
0.678 |
1 |
1 |
0 |
0.000 |
7 |
9 |
|
[EDO]B:101 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
4726 |
96.6 |
1.9 |
0.341 |
3 |
0 |
0 |
0.000 |
8 |
10 |
|
[EDO]D:101 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
4846 |
96.1 |
1.9 |
0.353 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
[EDO]A:503 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
9392 |
85.6 |
3.2 |
0.510 |
3 |
0 |
0 |
0.000 |
10 |
12 |
|
C |
9 |
3 |
9081 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
9392 |
84.0 |
-1.6 |
0.292 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[EDO]B:102 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
4726 |
83.5 |
1.9 |
0.208 |
2 |
0 |
0 |
0.000 |
12 |
14 |
|
[EDO]B:102 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
9392 |
68.9 |
1.1 |
0.762 |
2 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]C:503 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
9081 |
58.6 |
0.6 |
0.588 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]D:101 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
9081 |
58.0 |
1.1 |
0.223 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[EDO]B:101 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
9392 |
57.1 |
1.1 |
0.238 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
B |
3 |
1 |
4726 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
9081 |
46.5 |
1.7 |
0.919 |
1 |
2 |
0 |
0.000 |
17 |
19 |
|
[EDO]A:503 |
3 |
1 |
185 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
8 |
3 |
9392 |
45.0 |
0.3 |
0.663 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[ZN]C:501 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
9 |
5 |
9081 |
37.5 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.461 |
21 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9392 |
36.5 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.461 |
Average: |
37.0 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.461 |
19 |
22 |
|
[ZN]A:501 |
1 |
1 |
98 |
c |
B |
x,y,z |
1_555 |
4 |
1 |
4726 |
27.9 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.204 |
23 |
|
[ZN]C:501 |
1 |
1 |
98 |
c |
D |
x,y,z |
1_555 |
3 |
2 |
4846 |
27.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.204 |
Average: |
27.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.204 |
20 |
24 |
|
A |
5 |
3 |
9392 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
9081 |
27.2 |
0.8 |
0.774 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
D |
3 |
1 |
4846 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
4726 |
21.5 |
0.1 |
0.574 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
C |
4 |
1 |
9081 |
f |
[EDO]C:503 |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
185 |
19.5 |
0.4 |
0.654 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
C |
3 |
2 |
9081 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
9392 |
13.5 |
-0.3 |
0.509 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
D |
1 |
1 |
4846 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
9392 |
5.6 |
0.1 |
0.737 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
C |
1 |
1 |
9081 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
4726 |
1.3 |
-0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
|