| ## |
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 |
107 |
29 |
13704 |
x |
B |
-y+1,x,z |
3_655 |
82 |
24 |
13704 |
876.3 |
-3.8 |
0.346 |
13 |
3 |
0 |
0.142 |
2 |
|
A |
77 |
22 |
13709 |
x |
A |
-y,x,z |
3_555 |
104 |
27 |
13709 |
842.4 |
-4.5 |
0.334 |
13 |
2 |
0 |
0.142 |
| Average: |
859.4 |
-4.1 |
0.340 |
13 |
3 |
0 |
0.142 |
| 2 |
3 |
|
B |
81 |
20 |
13704 |
◊ |
A |
x,y,z |
1_555 |
81 |
17 |
13709 |
697.7 |
-3.7 |
0.373 |
5 |
4 |
0 |
0.000 |
| 3 |
4 |
|
A |
54 |
13 |
13709 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
52 |
13 |
13704 |
486.0 |
-1.8 |
0.458 |
12 |
10 |
0 |
0.055 |
| 4 |
5 |
|
B |
25 |
8 |
13704 |
◊ |
A |
-y+1,x,z |
3_655 |
18 |
4 |
13709 |
202.3 |
1.9 |
0.799 |
5 |
3 |
0 |
0.000 |
| 5 |
6 |
|
A |
18 |
4 |
13709 |
◊ |
B |
-y+1/2,x-1/2,z-1/2 |
7_544 |
20 |
5 |
13704 |
187.8 |
-2.1 |
0.263 |
0 |
0 |
0 |
0.013 |
| 6 |
7 |
|
[CAC]B:338 |
5 |
1 |
236 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
13704 |
134.2 |
2.9 |
0.325 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[CAC]A:337 |
5 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
13709 |
132.9 |
2.9 |
0.322 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]A:344 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
13709 |
98.1 |
3.1 |
0.459 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]B:339 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
13704 |
97.3 |
3.1 |
0.478 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]A:342 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
13709 |
97.1 |
2.9 |
0.467 |
2 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]A:340 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
13709 |
96.5 |
2.8 |
0.475 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]A:343 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
13709 |
93.2 |
2.2 |
0.373 |
2 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]A:341 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
13709 |
92.1 |
2.8 |
0.415 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]B:341 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
13704 |
89.1 |
2.3 |
0.241 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]A:339 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
23 |
10 |
13704 |
88.3 |
1.1 |
0.223 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]A:345 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
13709 |
87.9 |
2.5 |
0.435 |
1 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]B:342 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
13704 |
80.5 |
1.8 |
0.394 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[CL]A:335 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
13709 |
71.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.145 |
20 |
|
[CL]B:335 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13704 |
70.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.145 |
| Average: |
70.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.145 |
| 19 |
21 |
|
[EDO]B:340 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
13704 |
68.7 |
2.1 |
0.272 |
1 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]A:346 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
13709 |
66.5 |
1.4 |
0.671 |
1 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[EDO]A:338 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
13709 |
63.0 |
1.9 |
0.292 |
4 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[EDO]A:346 |
3 |
1 |
185 |
◊ |
A |
-y,x,z |
3_555 |
9 |
4 |
13709 |
61.2 |
2.5 |
0.309 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[EDO]B:340 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13709 |
60.7 |
1.2 |
0.174 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[EDO]A:345 |
4 |
1 |
186 |
f |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
8 |
3 |
13704 |
57.3 |
1.4 |
0.711 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[CL]B:337 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13704 |
56.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.103 |
28 |
|
[CL]A:336 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13709 |
56.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.103 |
| Average: |
56.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.103 |
| 26 |
29 |
|
[ZN]B:333 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13704 |
53.2 |
-28.5 |
0.000 |
0 |
0 |
0 |
0.376 |
30 |
|
[ZN]A:333 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13709 |
52.0 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.376 |
| Average: |
52.6 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.376 |
| 27 |
31 |
|
[NA]A:334 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13709 |
52.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.118 |
32 |
|
[NA]B:334 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
13704 |
52.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.118 |
| Average: |
52.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.118 |
| 28 |
33 |
|
[EDO]B:342 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13709 |
52.8 |
1.4 |
0.833 |
2 |
0 |
0 |
0.000 |
| 29 |
34 |
|
A |
4 |
1 |
13709 |
◊ |
[EDO]B:341 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
3 |
1 |
184 |
48.0 |
1.4 |
0.891 |
2 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[EDO]A:338 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13704 |
47.8 |
1.2 |
0.257 |
1 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[CL]B:336 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
13704 |
46.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[EDO]A:344 |
2 |
1 |
185 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
5 |
1 |
13704 |
44.7 |
1.6 |
0.648 |
1 |
0 |
0 |
0.000 |
| 33 |
38 |
|
B |
6 |
3 |
13704 |
◊ |
[EDO]A:341 |
-y+1,x,z |
3_655 |
4 |
1 |
185 |
43.8 |
1.6 |
0.947 |
2 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[CL]A:336 |
1 |
1 |
125 |
◊ |
A |
-y,x,z |
3_555 |
5 |
1 |
13709 |
41.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.059 |
40 |
|
B |
5 |
1 |
13704 |
◊ |
[CL]B:337 |
-y+1,x,z |
3_655 |
1 |
1 |
125 |
41.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
41.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.059 |
| 35 |
41 |
|
[CL]B:336 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
13709 |
41.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.071 |
| 36 |
42 |
|
[EDO]A:342 |
3 |
1 |
186 |
f |
[CAC]A:337 |
x,y,z |
1_555 |
3 |
1 |
237 |
35.4 |
1.9 |
0.390 |
0 |
0 |
0 |
0.000 |
| 37 |
43 |
|
[EDO]A:339 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
13709 |
35.0 |
0.7 |
0.714 |
1 |
0 |
0 |
0.000 |
| 38 |
44 |
|
[EDO]A:343 |
4 |
1 |
186 |
f |
A |
-y,x,z |
3_555 |
3 |
2 |
13709 |
34.3 |
1.6 |
0.968 |
1 |
0 |
0 |
0.000 |
| 39 |
45 |
|
[CAC]A:337 |
4 |
1 |
237 |
f |
[NA]A:334 |
x,y,z |
1_555 |
1 |
1 |
125 |
33.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.043 |
| 40 |
46 |
|
[CAC]B:338 |
4 |
1 |
236 |
f |
[NA]B:334 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.041 |
| 41 |
47 |
|
[ZN]A:333 |
1 |
1 |
98 |
◊ |
A |
-y,x,z |
3_555 |
4 |
4 |
13709 |
24.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.143 |
48 |
|
B |
4 |
4 |
13704 |
◊ |
[ZN]B:333 |
-y+1,x,z |
3_655 |
1 |
1 |
98 |
23.4 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.143 |
| Average: |
24.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.143 |
| 42 |
49 |
|
[EDO]B:342 |
4 |
1 |
184 |
f |
[EDO]A:338 |
x,y,z |
1_555 |
2 |
1 |
185 |
23.5 |
1.1 |
0.707 |
0 |
0 |
0 |
0.000 |
| 43 |
50 |
|
[CAC]B:338 |
1 |
1 |
236 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
13709 |
20.3 |
0.3 |
0.348 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
[EDO]A:339 |
1 |
1 |
184 |
f |
[EDO]A:338 |
x,y,z |
1_555 |
3 |
1 |
185 |
16.8 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[EDO]B:342 |
2 |
1 |
184 |
f |
[EDO]A:339 |
x,y,z |
1_555 |
2 |
1 |
184 |
15.8 |
0.4 |
1.000 |
1 |
0 |
0 |
0.000 |
| 46 |
53 |
|
[EDO]A:346 |
1 |
1 |
185 |
f |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
13704 |
15.1 |
0.3 |
0.260 |
0 |
0 |
0 |
0.000 |
| 47 |
54 |
|
[CAC]B:338 |
2 |
1 |
236 |
◊ |
[CL]B:336 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 48 |
55 |
|
[EDO]A:338 |
3 |
1 |
185 |
f |
[CL]B:336 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| 49 |
56 |
|
[EDO]A:344 |
1 |
1 |
185 |
f |
[EDO]B:341 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
1 |
184 |
6.6 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 50 |
57 |
|
[EDO]A:341 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
13704 |
0.3 |
0.0 |
0.824 |
0 |
0 |
0 |
0.000 |
| 51 |
58 |
|
A |
1 |
1 |
13709 |
◊ |
A |
-x,-y,z |
2_555 |
1 |
1 |
13709 |
0.3 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
|