## |
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 |
|
E |
229 |
62 |
14473 |
◊ |
A |
x,y,z |
1_555 |
244 |
63 |
14439 |
2391.8 |
-37.3 |
0.222 |
13 |
12 |
0 |
0.352 |
2 |
|
D |
230 |
64 |
14077 |
◊ |
C |
x,y,z |
1_555 |
238 |
66 |
13957 |
2381.7 |
-32.0 |
0.338 |
20 |
10 |
0 |
0.352 |
3 |
|
B |
238 |
65 |
14512 |
◊ |
A |
x,y,z |
1_555 |
230 |
64 |
14439 |
2376.4 |
-36.0 |
0.277 |
15 |
6 |
0 |
0.352 |
4 |
|
D |
242 |
64 |
14077 |
◊ |
B |
x,y,z |
1_555 |
231 |
61 |
14512 |
2319.3 |
-35.7 |
0.315 |
18 |
12 |
0 |
0.352 |
5 |
|
E |
238 |
64 |
14473 |
◊ |
C |
x,y,z |
1_555 |
219 |
60 |
13957 |
2229.8 |
-35.8 |
0.281 |
13 |
7 |
0 |
0.352 |
Average: |
2339.8 |
-35.3 |
0.287 |
16 |
9 |
0 |
0.352 |
2 |
6 |
|
B |
42 |
14 |
14512 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
33 |
8 |
14473 |
322.3 |
-1.0 |
0.835 |
3 |
2 |
0 |
0.000 |
3 |
7 |
|
B |
30 |
9 |
14512 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
24 |
6 |
13957 |
222.1 |
-0.4 |
0.822 |
3 |
3 |
0 |
0.000 |
4 |
8 |
|
B |
19 |
7 |
14512 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
28 |
9 |
14077 |
194.1 |
0.6 |
0.886 |
5 |
0 |
0 |
0.000 |
5 |
9 |
|
D |
18 |
7 |
14077 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
21 |
8 |
14473 |
179.4 |
0.1 |
0.855 |
1 |
3 |
0 |
0.000 |
6 |
10 |
|
A |
18 |
5 |
14439 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
12 |
4 |
14473 |
134.3 |
-0.0 |
0.752 |
0 |
3 |
0 |
0.000 |
7 |
11 |
|
A |
20 |
6 |
14439 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
17 |
4 |
14077 |
128.0 |
-0.4 |
0.745 |
0 |
1 |
0 |
0.000 |
8 |
12 |
|
C |
13 |
4 |
13957 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
19 |
7 |
14439 |
118.4 |
-1.6 |
0.569 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
E |
6 |
2 |
14473 |
x |
E |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
3 |
14473 |
61.2 |
0.4 |
0.640 |
2 |
2 |
0 |
0.000 |
10 |
14 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
14512 |
50.6 |
-32.1 |
0.000 |
0 |
0 |
0 |
0.233 |
15 |
|
[ZN]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
13957 |
49.8 |
-39.0 |
0.000 |
0 |
0 |
0 |
0.233 |
16 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
14077 |
49.4 |
-38.5 |
0.000 |
0 |
0 |
0 |
0.233 |
17 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
14439 |
48.0 |
-35.3 |
0.000 |
0 |
0 |
0 |
0.233 |
Average: |
49.4 |
-36.2 |
0.000 |
0 |
0 |
0 |
0.233 |
11 |
18 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14439 |
47.4 |
-22.0 |
0.000 |
0 |
0 |
0 |
0.174 |
19 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
13957 |
45.0 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.174 |
20 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
14077 |
42.6 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.174 |
21 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
5 |
14473 |
41.4 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.174 |
22 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14512 |
40.2 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.174 |
Average: |
43.4 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.174 |
12 |
23 |
|
[ZN]A:302 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
14439 |
36.9 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.140 |
24 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
14473 |
36.6 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.140 |
25 |
|
[ZN]C:301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
14077 |
36.6 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.140 |
26 |
|
[ZN]B:302 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14512 |
36.0 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.140 |
27 |
|
[ZN]C:302 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
13957 |
35.2 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.140 |
Average: |
36.3 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.140 |
13 |
28 |
|
[ZN]A:304 |
1 |
1 |
98 |
cf |
E |
x,y,z |
1_555 |
4 |
2 |
14473 |
33.5 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.057 |
29 |
|
[ZN]B:301 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
4 |
2 |
14512 |
30.3 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
31.9 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.057 |
14 |
30 |
|
[ZN]A:304 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
14439 |
32.5 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.040 |
31 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
14077 |
26.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
29.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.040 |
15 |
32 |
|
[ZN]A:304 |
1 |
1 |
98 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
14473 |
24.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
33 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
2 |
14473 |
22.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
34 |
|
E |
2 |
2 |
14473 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14512 |
16.7 |
-0.5 |
0.323 |
0 |
0 |
0 |
0.004 |
35 |
|
E |
2 |
2 |
14473 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
14077 |
15.8 |
-0.5 |
0.331 |
0 |
0 |
0 |
0.004 |
36 |
|
C |
2 |
2 |
13957 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14512 |
14.6 |
-0.5 |
0.350 |
0 |
0 |
0 |
0.004 |
37 |
|
D |
2 |
2 |
14077 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
14439 |
13.6 |
-0.4 |
0.358 |
0 |
0 |
0 |
0.004 |
38 |
|
C |
2 |
2 |
13957 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
14439 |
11.9 |
-0.4 |
0.395 |
0 |
0 |
0 |
0.004 |
Average: |
14.5 |
-0.5 |
0.351 |
0 |
0 |
0 |
0.004 |
18 |
39 |
|
C |
1 |
1 |
13957 |
◊ |
[ZN]A:303 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
98 |
10.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
40 |
|
D |
1 |
1 |
14077 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
14439 |
2.3 |
0.1 |
0.792 |
0 |
0 |
0 |
0.000 |
|