## |
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 |
66 |
19 |
6016 |
◊ |
A |
x,y,z |
1_555 |
70 |
18 |
5980 |
572.2 |
-5.6 |
0.174 |
5 |
4 |
0 |
0.046 |
2 |
2 |
|
A |
30 |
10 |
5980 |
◊ |
B |
-x+1/2,y-1/2,-z-1 |
3_544 |
28 |
10 |
6016 |
292.3 |
-0.7 |
0.496 |
4 |
0 |
0 |
0.012 |
3 |
3 |
|
B |
24 |
8 |
6016 |
x |
B |
x,y,z-1 |
1_554 |
23 |
7 |
6016 |
211.1 |
1.8 |
0.754 |
5 |
3 |
0 |
0.000 |
4 |
|
A |
22 |
8 |
5980 |
x |
A |
x,y,z-1 |
1_554 |
21 |
7 |
5980 |
206.1 |
1.9 |
0.776 |
6 |
4 |
0 |
0.000 |
Average: |
208.6 |
1.8 |
0.765 |
6 |
4 |
0 |
0.000 |
4 |
5 |
|
[PGE]B:209 |
9 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
26 |
5 |
5980 |
133.7 |
3.8 |
0.259 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
10 |
3 |
6016 |
x |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
13 |
4 |
6016 |
105.1 |
-0.8 |
0.376 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
B |
9 |
5 |
6016 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
8 |
3 |
5980 |
104.0 |
-0.6 |
0.375 |
1 |
0 |
0 |
0.005 |
7 |
8 |
|
[PEG]A:207 |
6 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
22 |
5 |
6016 |
101.9 |
1.3 |
0.219 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[PEG]A:207 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
5980 |
101.7 |
3.8 |
0.392 |
3 |
0 |
0 |
0.000 |
9 |
10 |
|
[PGE]B:209 |
7 |
1 |
333 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
6016 |
100.7 |
2.5 |
0.231 |
4 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
10 |
5 |
5980 |
◊ |
A |
-x+1,-y,z |
2_655 |
10 |
5 |
5980 |
94.1 |
-1.4 |
0.273 |
0 |
0 |
0 |
0.006 |
11 |
12 |
|
B |
16 |
11 |
6016 |
f |
[CO3]B:208 |
x,y,z-1 |
1_554 |
4 |
1 |
160 |
87.1 |
0.8 |
0.563 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
16 |
11 |
5980 |
f |
[CO3]A:206 |
x,y,z-1 |
1_554 |
4 |
1 |
160 |
86.6 |
0.8 |
0.567 |
0 |
0 |
0 |
0.000 |
Average: |
86.8 |
0.8 |
0.565 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
A |
8 |
4 |
5980 |
◊ |
A |
-x,-y,z |
2_555 |
7 |
4 |
5980 |
75.2 |
-0.8 |
0.364 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[NA]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
6016 |
55.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.038 |
14 |
16 |
|
[CL]B:206 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
6016 |
53.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.037 |
15 |
17 |
|
[CO3]B:207 |
4 |
1 |
161 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
5980 |
45.5 |
0.2 |
0.528 |
1 |
0 |
0 |
0.001 |
16 |
18 |
|
[CO3]B:207 |
4 |
1 |
161 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
6016 |
44.6 |
0.1 |
0.514 |
1 |
0 |
0 |
0.002 |
17 |
19 |
|
[ZN]A:203 |
1 |
1 |
98 |
f |
[ZN]A:203 |
-x+1,-y,z |
2_655 |
1 |
1 |
98 |
40.9 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.139 |
18 |
20 |
|
[ZN]A:204 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
5980 |
40.0 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
|
[ZN]B:203 |
1 |
1 |
98 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
3 |
6016 |
32.6 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
36.3 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
A |
8 |
3 |
5980 |
cf |
[ZN]A:204 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
39.4 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.181 |
23 |
|
[ZN]B:203 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6016 |
32.7 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.181 |
Average: |
36.0 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.181 |
20 |
24 |
|
[ZN]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
6016 |
39.3 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.254 |
25 |
|
[ZN]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
5980 |
39.2 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.254 |
Average: |
39.2 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.254 |
21 |
26 |
|
[NA]A:205 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
5980 |
37.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.069 |
27 |
|
[NA]B:205 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
6016 |
36.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.069 |
28 |
|
[NA]A:205 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
6016 |
26.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.069 |
29 |
|
[NA]B:205 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
5980 |
26.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
31.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.069 |
22 |
30 |
|
A |
6 |
3 |
5980 |
f |
[ZN]A:202 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
35.3 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.178 |
31 |
|
B |
5 |
2 |
6016 |
f |
[ZN]B:202 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
35.3 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.178 |
Average: |
35.3 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.178 |
23 |
32 |
|
[ZN]A:203 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
5 |
3 |
5980 |
34.1 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.264 |
24 |
33 |
|
[NA]B:204 |
1 |
1 |
125 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
4 |
1 |
6016 |
30.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[CL]B:206 |
1 |
1 |
125 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
6016 |
29.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[ZN]A:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6016 |
29.7 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.127 |
36 |
|
[ZN]B:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5980 |
29.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
29.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.127 |
27 |
37 |
|
[CO3]B:207 |
3 |
1 |
161 |
f |
[NA]B:205 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.055 |
38 |
|
[CO3]B:207 |
3 |
1 |
161 |
f |
[NA]A:205 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
29.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.055 |
28 |
39 |
|
[ZN]A:202 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5980 |
28.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[ZN]B:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6016 |
28.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
28.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
[CO3]B:208 |
3 |
1 |
160 |
f |
[ZN]B:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.120 |
42 |
|
[CO3]A:206 |
3 |
1 |
160 |
f |
[ZN]A:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
27.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.120 |
30 |
43 |
|
[CL]B:206 |
1 |
1 |
125 |
f |
[ZN]B:203 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.072 |
31 |
44 |
|
[CO3]A:206 |
3 |
1 |
160 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5980 |
25.2 |
0.5 |
0.349 |
0 |
0 |
0 |
0.000 |
45 |
|
[CO3]B:208 |
3 |
1 |
160 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6016 |
24.6 |
0.5 |
0.352 |
0 |
0 |
0 |
0.000 |
Average: |
24.9 |
0.5 |
0.350 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[NA]B:205 |
1 |
1 |
125 |
f |
[NA]A:205 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.045 |
33 |
47 |
|
A |
2 |
1 |
5980 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
6016 |
10.7 |
-0.1 |
0.505 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
A |
2 |
1 |
5980 |
◊ |
[ZN]A:201 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
8.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
B |
2 |
1 |
6016 |
◊ |
[ZN]B:201 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
7.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
8.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
50 |
|
[NA]B:204 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
2 |
1 |
5980 |
7.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
|