| ## |
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 |
|
A |
113 |
33 |
8870 |
x |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
101 |
27 |
8870 |
856.0 |
-0.8 |
0.848 |
19 |
6 |
0 |
0.000 |
| 2 |
2 |
|
A |
58 |
18 |
8870 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
64 |
20 |
8870 |
578.0 |
-1.3 |
0.530 |
15 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
33 |
10 |
8870 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
27 |
11 |
8870 |
226.1 |
-1.3 |
0.512 |
2 |
2 |
0 |
0.000 |
| 4 |
4 |
|
A |
29 |
9 |
8870 |
x |
A |
x-1,y,z |
1_455 |
25 |
10 |
8870 |
210.1 |
-1.5 |
0.521 |
2 |
2 |
0 |
0.000 |
| 5 |
5 |
|
A |
15 |
7 |
8870 |
f |
[IMD]A:179 |
x-1,y,z |
1_455 |
5 |
1 |
198 |
107.0 |
3.4 |
0.374 |
1 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
14 |
4 |
8870 |
x |
A |
x,y-1,z |
1_545 |
13 |
4 |
8870 |
94.4 |
0.1 |
0.696 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
A |
14 |
4 |
8870 |
◊ |
[IMD]A:172 |
x,y-1,z |
1_545 |
5 |
1 |
197 |
73.7 |
2.2 |
0.238 |
2 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[IMD]A:174 |
5 |
1 |
198 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
13 |
8 |
8870 |
70.4 |
2.5 |
0.420 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[IMD]A:171 |
5 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8870 |
70.2 |
2.3 |
0.290 |
1 |
0 |
0 |
0.000 |
| 10 |
10 |
|
A |
14 |
6 |
8870 |
◊ |
[IMD]A:180 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
197 |
64.9 |
1.9 |
0.270 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
A |
17 |
7 |
8870 |
f |
[IMD]A:175 |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
1 |
200 |
63.6 |
1.6 |
0.213 |
1 |
0 |
0 |
0.000 |
| 12 |
12 |
|
A |
14 |
3 |
8870 |
◊ |
[ACT]A:178 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
182 |
62.3 |
-1.3 |
0.509 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
A |
18 |
4 |
8870 |
◊ |
[ACT]A:181 |
x-1,y,z |
1_455 |
4 |
1 |
182 |
59.6 |
0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[ACT]A:176 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
8870 |
57.9 |
-0.4 |
0.676 |
1 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[IMD]A:173 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8870 |
57.4 |
1.0 |
0.202 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
A |
9 |
5 |
8870 |
◊ |
[ACT]A:177 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
182 |
57.1 |
-0.6 |
0.602 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
A |
16 |
5 |
8870 |
◊ |
[ACT]A:176 |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
1 |
183 |
55.9 |
-0.8 |
0.555 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[IMD]A:180 |
5 |
1 |
197 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
8870 |
55.6 |
1.1 |
0.114 |
1 |
0 |
0 |
0.000 |
| 19 |
19 |
|
A |
11 |
6 |
8870 |
◊ |
[IMD]A:173 |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
1 |
198 |
54.0 |
0.7 |
0.142 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[ACT]A:177 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
8870 |
52.1 |
-0.2 |
0.676 |
1 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[ACT]A:181 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
8870 |
51.6 |
-0.7 |
0.543 |
0 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[IMD]A:175 |
5 |
1 |
200 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
8870 |
50.6 |
2.1 |
0.238 |
0 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[ACT]A:181 |
4 |
1 |
182 |
f |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
3 |
8870 |
48.2 |
-0.8 |
0.460 |
0 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[IMD]A:171 |
5 |
1 |
199 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
8870 |
47.6 |
0.8 |
0.090 |
1 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[CL]A:170 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8870 |
44.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| 26 |
26 |
|
[IMD]A:174 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8870 |
40.3 |
0.9 |
0.118 |
1 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[ZN]A:169 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
8870 |
34.7 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 28 |
28 |
|
[ZN]A:161 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
8870 |
34.1 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 29 |
29 |
|
A |
7 |
1 |
8870 |
◊ |
[IMD]A:172 |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
1 |
197 |
34.0 |
0.8 |
0.125 |
0 |
0 |
0 |
0.000 |
| 30 |
30 |
|
A |
8 |
4 |
8870 |
◊ |
[ZN]A:165 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
98 |
33.8 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
31 |
|
[ZN]A:165 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8870 |
33.4 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| 32 |
32 |
|
[ACT]A:178 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
8870 |
31.7 |
0.5 |
0.838 |
1 |
0 |
0 |
0.000 |
| 33 |
33 |
|
[ZN]A:166 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
8870 |
30.4 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.010 |
| 34 |
34 |
|
[IMD]A:179 |
2 |
1 |
198 |
◊ |
[ZN]A:161 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.1 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[IMD]A:172 |
3 |
1 |
197 |
◊ |
[ZN]A:164 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[IMD]A:174 |
3 |
1 |
198 |
◊ |
[ZN]A:162 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[IMD]A:180 |
2 |
1 |
197 |
◊ |
[ZN]A:168 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[IMD]A:171 |
3 |
1 |
199 |
◊ |
[ZN]A:163 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[IMD]A:175 |
3 |
1 |
200 |
◊ |
[ZN]A:167 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
23.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[IMD]A:174 |
3 |
1 |
198 |
◊ |
[IMD]A:180 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
197 |
28.9 |
1.5 |
0.023 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[IMD]A:179 |
2 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8870 |
28.8 |
1.1 |
0.386 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
A |
6 |
2 |
8870 |
f |
[ZN]A:164 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
28.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.008 |
| 38 |
43 |
|
[IMD]A:171 |
3 |
1 |
199 |
f |
[ZN]A:169 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.015 |
44 |
|
[IMD]A:173 |
3 |
1 |
198 |
f |
[ZN]A:166 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
23.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 39 |
45 |
|
[IMD]A:172 |
2 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
8870 |
28.4 |
0.9 |
0.374 |
1 |
0 |
0 |
0.000 |
| 40 |
46 |
|
A |
4 |
2 |
8870 |
◊ |
[ZN]A:161 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
28.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
47 |
|
[ZN]A:162 |
1 |
1 |
98 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
12 |
5 |
8870 |
27.1 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 42 |
48 |
|
[ZN]A:168 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
8870 |
26.2 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 43 |
49 |
|
[ZN]A:162 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
8870 |
25.4 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
50 |
|
[ZN]A:164 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8870 |
24.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
51 |
|
[ACT]A:178 |
3 |
1 |
182 |
◊ |
[IMD]A:171 |
x,y,z |
1_555 |
3 |
1 |
199 |
23.8 |
0.5 |
0.221 |
2 |
0 |
0 |
0.000 |
| 46 |
52 |
|
[ZN]A:167 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
8870 |
23.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 47 |
53 |
|
[ACT]A:177 |
3 |
1 |
182 |
cf |
[ZN]A:168 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.100 |
54 |
|
[ACT]A:178 |
3 |
1 |
182 |
f |
[ZN]A:163 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.100 |
55 |
|
[ACT]A:176 |
3 |
1 |
183 |
f |
[ZN]A:167 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
21.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 48 |
56 |
|
[ACT]A:177 |
3 |
1 |
182 |
◊ |
[IMD]A:180 |
x,y,z |
1_555 |
2 |
1 |
197 |
23.0 |
0.7 |
0.374 |
0 |
0 |
0 |
0.000 |
| 49 |
57 |
|
[IMD]A:175 |
5 |
1 |
200 |
◊ |
[IMD]A:173 |
x,y,z |
1_555 |
2 |
1 |
198 |
22.1 |
1.3 |
0.036 |
0 |
0 |
0 |
0.000 |
| 50 |
58 |
|
[ZN]A:163 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8870 |
21.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
59 |
|
[ACT]A:176 |
3 |
1 |
183 |
◊ |
[IMD]A:173 |
x,y,z |
1_555 |
3 |
1 |
198 |
20.9 |
0.7 |
0.210 |
0 |
0 |
0 |
0.000 |
| 52 |
60 |
|
A |
4 |
2 |
8870 |
◊ |
[ZN]A:166 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
98 |
20.5 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
61 |
|
A |
4 |
2 |
8870 |
◊ |
[ZN]A:167 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
98 |
20.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 54 |
62 |
|
A |
7 |
3 |
8870 |
◊ |
[ZN]A:168 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
98 |
20.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 55 |
63 |
|
[ZN]A:163 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
8870 |
19.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 56 |
64 |
|
[ACT]A:176 |
3 |
1 |
183 |
◊ |
[IMD]A:175 |
x,y,z |
1_555 |
2 |
1 |
200 |
19.5 |
0.6 |
0.374 |
0 |
0 |
0 |
0.000 |
| 57 |
65 |
|
A |
2 |
1 |
8870 |
◊ |
[CL]A:170 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
125 |
18.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 58 |
66 |
|
[ACT]A:178 |
2 |
1 |
182 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
8870 |
18.4 |
0.4 |
0.761 |
0 |
0 |
0 |
0.000 |
| 59 |
67 |
|
[CL]A:170 |
1 |
1 |
125 |
f |
[ZN]A:166 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| 60 |
68 |
|
A |
6 |
1 |
8870 |
◊ |
[ZN]A:164 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
98 |
17.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 61 |
69 |
|
[ZN]A:169 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
8870 |
16.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 62 |
70 |
|
[IMD]A:173 |
3 |
1 |
198 |
f |
[CL]A:170 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.001 |
| 63 |
71 |
|
[ZN]A:165 |
1 |
1 |
98 |
◊ |
[IMD]A:172 |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
1 |
197 |
12.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
|
[IMD]A:173 |
2 |
1 |
198 |
◊ |
[ZN]A:167 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
11.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 64 |
73 |
|
A |
3 |
1 |
8870 |
◊ |
[ZN]A:163 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
98 |
11.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 65 |
74 |
|
[IMD]A:174 |
2 |
1 |
198 |
◊ |
[ZN]A:168 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
98 |
4.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 66 |
75 |
|
[IMD]A:175 |
1 |
1 |
200 |
◊ |
[ZN]A:166 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
|
[ZN]A:162 |
1 |
1 |
98 |
◊ |
[IMD]A:180 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
197 |
1.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
2.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 67 |
77 |
|
A |
1 |
1 |
8870 |
x |
A |
x-1,y-1,z |
1_445 |
1 |
1 |
8870 |
0.8 |
-0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
|