| ## |
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 |
|
D |
68 |
25 |
10105 |
◊ |
A |
x,y,z |
1_555 |
75 |
22 |
10101 |
681.1 |
-7.6 |
0.176 |
4 |
0 |
0 |
0.036 |
2 |
|
B |
69 |
18 |
10046 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
66 |
25 |
10710 |
632.0 |
-7.0 |
0.196 |
3 |
0 |
0 |
0.036 |
| Average: |
656.6 |
-7.3 |
0.186 |
4 |
0 |
0 |
0.036 |
| 2 |
3 |
|
C |
74 |
19 |
10710 |
◊ |
A |
x,y,z |
1_555 |
61 |
20 |
10101 |
654.7 |
-8.1 |
0.102 |
6 |
2 |
0 |
0.413 |
| 3 |
4 |
|
B |
50 |
17 |
10046 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
46 |
11 |
10046 |
444.2 |
-2.8 |
0.355 |
3 |
2 |
0 |
0.000 |
| 4 |
5 |
|
C |
42 |
15 |
10710 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
44 |
13 |
10105 |
391.1 |
2.4 |
0.810 |
11 |
1 |
0 |
0.000 |
6 |
|
B |
45 |
15 |
10046 |
◊ |
A |
x,y,z |
1_555 |
47 |
16 |
10101 |
366.2 |
2.5 |
0.834 |
12 |
2 |
0 |
0.000 |
| Average: |
378.6 |
2.5 |
0.822 |
12 |
2 |
0 |
0.000 |
| 5 |
7 |
|
A |
42 |
10 |
10101 |
◊ |
C |
x-1,y,z |
1_455 |
39 |
10 |
10710 |
365.7 |
-3.0 |
0.381 |
3 |
0 |
0 |
0.000 |
| 6 |
8 |
|
D |
31 |
10 |
10105 |
x |
D |
-x,y-1/2,-z+1/2 |
3_545 |
30 |
9 |
10105 |
261.9 |
1.3 |
0.771 |
5 |
4 |
0 |
0.000 |
| 7 |
9 |
|
C |
33 |
8 |
10710 |
◊ |
A |
x,y-1,z |
1_545 |
26 |
8 |
10101 |
241.5 |
-2.5 |
0.351 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[DMS]B:307 |
4 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
10046 |
139.0 |
3.3 |
0.527 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[DMS]C:305 |
4 |
1 |
211 |
f |
C |
x,y,z |
1_555 |
26 |
10 |
10710 |
132.2 |
2.5 |
0.460 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]C:304 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
10710 |
103.6 |
3.7 |
0.563 |
2 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]B:304 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
10046 |
100.5 |
2.6 |
0.439 |
2 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[NA]C:306 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
10710 |
90.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.457 |
| 13 |
15 |
|
[EDO]D:304 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
10710 |
82.9 |
1.2 |
0.167 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[EDO]B:305 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
10046 |
77.0 |
2.0 |
0.252 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[EDO]B:306 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
10046 |
68.1 |
1.7 |
0.268 |
1 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[EDO]B:306 |
3 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10101 |
67.2 |
2.2 |
0.311 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[CL]C:307 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
10710 |
59.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.264 |
| 18 |
20 |
|
B |
5 |
3 |
10046 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
10101 |
58.9 |
0.7 |
0.789 |
1 |
0 |
0 |
0.000 |
| 19 |
21 |
|
D |
6 |
3 |
10105 |
x |
D |
x-1,y,z |
1_455 |
8 |
4 |
10105 |
50.7 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]B:305 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
10101 |
44.1 |
1.6 |
0.908 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[EDO]B:304 |
3 |
1 |
184 |
f |
B |
x-1/2,-y-1/2,-z |
4_445 |
8 |
3 |
10046 |
42.6 |
1.2 |
0.792 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[CL]C:307 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10101 |
39.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.200 |
| 23 |
25 |
|
[EDO]D:304 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
10105 |
37.0 |
0.7 |
0.685 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[EDO]C:304 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
10101 |
35.2 |
0.6 |
0.627 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
B |
5 |
3 |
10046 |
◊ |
[CL]C:307 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
125 |
27.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.012 |
| 26 |
28 |
|
C |
6 |
3 |
10710 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10046 |
26.4 |
-0.3 |
0.502 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.6 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.100 |
| 28 |
30 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.3 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| 29 |
31 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.8 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 30 |
32 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.0 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| 31 |
33 |
|
C |
1 |
1 |
10710 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
10046 |
14.8 |
0.2 |
0.757 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
C |
1 |
1 |
10710 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
10710 |
3.1 |
0.2 |
0.812 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[EDO]B:306 |
1 |
1 |
187 |
f |
[EDO]B:305 |
x,y,z |
1_555 |
1 |
1 |
185 |
2.6 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
D |
1 |
1 |
10105 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10710 |
2.0 |
-0.1 |
0.464 |
0 |
0 |
0 |
0.000 |
|