| ## |
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 |
53 |
14 |
9481 |
◊ |
C |
x,y,z |
1_555 |
53 |
14 |
9635 |
499.1 |
-4.9 |
0.345 |
4 |
0 |
0 |
0.000 |
2 |
|
B |
50 |
14 |
9730 |
◊ |
A |
x,y,z |
1_555 |
52 |
14 |
9419 |
496.9 |
-5.0 |
0.351 |
5 |
0 |
0 |
0.000 |
| Average: |
498.0 |
-4.9 |
0.348 |
5 |
0 |
0 |
0.000 |
| 2 |
3 |
|
C |
32 |
12 |
9635 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
9419 |
368.9 |
-7.9 |
0.036 |
0 |
0 |
0 |
0.000 |
4 |
|
D |
32 |
12 |
9481 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
9730 |
354.3 |
-8.4 |
0.027 |
0 |
0 |
0 |
0.000 |
| Average: |
361.6 |
-8.2 |
0.032 |
0 |
0 |
0 |
0.000 |
| 3 |
5 |
|
D |
41 |
14 |
9481 |
◊ |
A |
x,y,z |
1_555 |
40 |
14 |
9419 |
351.5 |
-4.7 |
0.289 |
0 |
0 |
0 |
0.000 |
6 |
|
C |
38 |
13 |
9635 |
◊ |
B |
x,y,z |
1_555 |
41 |
14 |
9730 |
349.5 |
-4.6 |
0.281 |
0 |
0 |
0 |
0.000 |
| Average: |
350.5 |
-4.7 |
0.285 |
0 |
0 |
0 |
0.000 |
| 4 |
7 |
|
D |
32 |
13 |
9481 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
33 |
11 |
9635 |
306.7 |
-3.1 |
0.333 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
A |
26 |
9 |
9419 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
10 |
9635 |
249.4 |
-1.4 |
0.550 |
0 |
1 |
0 |
0.000 |
| 6 |
9 |
|
A |
25 |
9 |
9419 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
8 |
9730 |
238.6 |
0.9 |
0.574 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
D |
20 |
5 |
9481 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
22 |
8 |
9730 |
209.1 |
1.2 |
0.635 |
3 |
3 |
0 |
0.000 |
| 8 |
11 |
|
B |
20 |
6 |
9730 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
13 |
3 |
9730 |
151.8 |
-2.3 |
0.209 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[EDO]C:307 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
9635 |
114.7 |
3.3 |
0.483 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[EDO]B:306 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
9730 |
112.3 |
2.9 |
0.464 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[EDO]C:302 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
9635 |
110.1 |
3.1 |
0.486 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[EDO]C:303 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
9635 |
108.6 |
3.3 |
0.419 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[EDO]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
9730 |
107.2 |
3.5 |
0.490 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[EDO]D:304 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
9481 |
105.4 |
2.9 |
0.513 |
1 |
0 |
0 |
0.000 |
| 15 |
18 |
|
A |
9 |
3 |
9419 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
8 |
5 |
9481 |
100.9 |
1.5 |
0.604 |
1 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]B:309 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
9730 |
95.6 |
2.4 |
0.284 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]C:306 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
9635 |
95.0 |
3.7 |
0.520 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]C:305 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
9635 |
94.9 |
3.6 |
0.336 |
2 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[EDO]B:307 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
9730 |
94.2 |
2.9 |
0.509 |
2 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[EDO]D:305 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
9481 |
88.9 |
2.1 |
0.274 |
3 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]B:302 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
9730 |
88.5 |
2.7 |
0.448 |
1 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[EDO]A:301 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
9419 |
87.5 |
2.5 |
0.443 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[EDO]B:310 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
9730 |
86.9 |
2.8 |
0.324 |
2 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[EDO]B:308 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
9730 |
86.6 |
2.1 |
0.252 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[EDO]A:302 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
9419 |
86.2 |
2.1 |
0.250 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[EDO]C:304 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
9635 |
86.0 |
2.9 |
0.442 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[EDO]D:303 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
9481 |
85.2 |
3.1 |
0.330 |
2 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[EDO]D:301 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
9481 |
85.1 |
2.4 |
0.253 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[EDO]B:304 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
9730 |
85.0 |
3.4 |
0.328 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[EDO]D:302 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
9481 |
84.2 |
3.2 |
0.325 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[EDO]C:308 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
9635 |
84.0 |
1.8 |
0.255 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[EDO]B:305 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
9730 |
81.6 |
1.5 |
0.233 |
2 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[EDO]C:301 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
9635 |
81.3 |
3.1 |
0.325 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[EDO]B:303 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9730 |
76.6 |
0.9 |
0.608 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
[EDO]A:304 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
9419 |
73.7 |
2.6 |
0.330 |
1 |
0 |
0 |
0.000 |
| 36 |
39 |
|
[EDO]A:303 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
9419 |
73.6 |
3.0 |
0.564 |
0 |
0 |
0 |
0.000 |
| 37 |
40 |
|
[EDO]B:303 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
15 |
2 |
9481 |
70.3 |
1.8 |
0.229 |
0 |
0 |
0 |
0.000 |
| 38 |
41 |
|
[EDO]B:304 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
9419 |
63.5 |
1.7 |
0.234 |
0 |
0 |
0 |
0.000 |
| 39 |
42 |
|
[EDO]D:302 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
9635 |
62.9 |
1.8 |
0.236 |
0 |
0 |
0 |
0.000 |
| 40 |
43 |
|
[EDO]C:301 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
9481 |
60.6 |
1.6 |
0.240 |
0 |
0 |
0 |
0.000 |
| 41 |
44 |
|
[EDO]A:303 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
9730 |
57.9 |
1.0 |
0.646 |
0 |
0 |
0 |
0.000 |
| 42 |
45 |
|
[EDO]D:305 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9635 |
40.5 |
1.4 |
0.750 |
0 |
0 |
0 |
0.000 |
| 43 |
46 |
|
A |
6 |
3 |
9419 |
f |
[EDO]B:310 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
40.4 |
0.7 |
0.532 |
0 |
0 |
0 |
0.000 |
| 44 |
47 |
|
[EDO]A:304 |
4 |
1 |
184 |
f |
[EDO]A:303 |
x,y,z |
1_555 |
3 |
1 |
184 |
30.4 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
[EDO]A:304 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
9730 |
28.8 |
1.0 |
0.517 |
0 |
0 |
0 |
0.000 |
| 46 |
49 |
|
C |
2 |
2 |
9635 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
9730 |
19.4 |
-0.0 |
0.443 |
0 |
0 |
0 |
0.000 |
| 47 |
50 |
|
A |
2 |
1 |
9419 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
9481 |
17.7 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
| 48 |
51 |
|
[EDO]C:306 |
2 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
9481 |
16.6 |
0.3 |
0.844 |
0 |
0 |
0 |
0.000 |
| 49 |
52 |
|
[EDO]C:306 |
1 |
1 |
184 |
f |
[EDO]C:301 |
x,y,z |
1_555 |
2 |
1 |
182 |
14.7 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 50 |
53 |
|
A |
3 |
1 |
9419 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
1 |
9635 |
12.8 |
0.6 |
0.824 |
0 |
0 |
0 |
0.000 |
| 51 |
54 |
|
[EDO]B:306 |
1 |
1 |
184 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
9730 |
5.8 |
0.2 |
0.753 |
0 |
0 |
0 |
0.000 |
| 52 |
55 |
|
[EDO]B:305 |
1 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
9481 |
5.0 |
-0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
|