| ## |
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 |
92 |
29 |
11383 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
93 |
29 |
10979 |
889.9 |
3.7 |
0.805 |
16 |
16 |
0 |
0.293 |
2 |
|
A |
90 |
29 |
10960 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
90 |
29 |
11303 |
884.5 |
3.0 |
0.823 |
16 |
16 |
0 |
0.293 |
| Average: |
887.2 |
3.3 |
0.814 |
16 |
16 |
0 |
0.293 |
| 2 |
3 |
|
C |
81 |
21 |
11303 |
◊ |
B |
x,y,z |
1_555 |
79 |
21 |
11383 |
707.3 |
3.2 |
0.802 |
15 |
2 |
0 |
0.000 |
| 3 |
4 |
|
D |
50 |
14 |
10979 |
◊ |
B |
x,y,z |
1_555 |
49 |
13 |
11383 |
469.0 |
3.7 |
0.848 |
11 |
3 |
0 |
0.000 |
5 |
|
C |
47 |
13 |
11303 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
10960 |
457.7 |
3.3 |
0.847 |
10 |
4 |
0 |
0.000 |
| Average: |
463.3 |
3.5 |
0.848 |
11 |
4 |
0 |
0.000 |
| 4 |
6 |
|
[DWZ]C:301 |
25 |
1 |
593 |
cf |
C |
x,y,z |
1_555 |
39 |
17 |
11303 |
331.4 |
-5.4 |
0.401 |
6 |
0 |
0 |
0.700 |
7 |
|
[DWZ]B:301 |
25 |
1 |
593 |
cf |
B |
x,y,z |
1_555 |
38 |
17 |
11383 |
329.4 |
-5.4 |
0.363 |
5 |
0 |
0 |
0.700 |
8 |
|
[DWZ]D:301 |
25 |
1 |
596 |
cf |
D |
x,y,z |
1_555 |
36 |
16 |
10979 |
327.9 |
-5.3 |
0.378 |
5 |
0 |
0 |
0.700 |
9 |
|
[DWZ]A:301 |
25 |
1 |
593 |
cf |
A |
x,y,z |
1_555 |
39 |
16 |
10960 |
324.3 |
-5.4 |
0.390 |
5 |
0 |
0 |
0.700 |
| Average: |
328.3 |
-5.4 |
0.383 |
5 |
0 |
0 |
0.700 |
| 5 |
10 |
|
B |
23 |
8 |
11383 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
10960 |
230.2 |
-2.1 |
0.302 |
2 |
1 |
0 |
0.000 |
11 |
|
D |
26 |
9 |
10979 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
11303 |
230.1 |
-2.2 |
0.287 |
2 |
1 |
0 |
0.000 |
| Average: |
230.1 |
-2.2 |
0.294 |
2 |
1 |
0 |
0.000 |
| 6 |
12 |
|
D |
18 |
5 |
10979 |
x |
D |
x-1,y,z |
1_455 |
19 |
6 |
10979 |
164.8 |
-0.2 |
0.556 |
1 |
1 |
0 |
0.000 |
| 7 |
13 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
11383 |
124.8 |
3.0 |
0.365 |
3 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[EDO]D:306 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
14 |
10 |
10979 |
113.3 |
2.8 |
0.353 |
3 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[EDO]B:304 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
11383 |
110.9 |
2.8 |
0.354 |
2 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[EDO]C:305 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
11303 |
110.4 |
2.7 |
0.373 |
3 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[EDO]C:303 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
11303 |
99.2 |
3.3 |
0.466 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[EDO]D:302 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
10979 |
96.5 |
3.5 |
0.493 |
1 |
0 |
0 |
0.000 |
| 13 |
19 |
|
C |
12 |
5 |
11303 |
x |
C |
x-1,y,z |
1_455 |
12 |
5 |
11303 |
92.8 |
0.6 |
0.690 |
3 |
2 |
0 |
0.000 |
| 14 |
20 |
|
[EDO]B:302 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
11383 |
92.3 |
3.6 |
0.544 |
2 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[EDO]C:304 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
11303 |
90.7 |
3.6 |
0.549 |
2 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[EDO]A:302 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10960 |
90.3 |
2.6 |
0.451 |
4 |
0 |
0 |
0.000 |
23 |
|
[EDO]B:306 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
11383 |
89.4 |
2.6 |
0.261 |
4 |
0 |
0 |
0.000 |
24 |
|
[EDO]D:303 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
10979 |
89.3 |
2.6 |
0.263 |
4 |
0 |
0 |
0.000 |
| Average: |
89.7 |
2.6 |
0.325 |
4 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[EDO]B:305 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
11383 |
89.6 |
2.9 |
0.405 |
1 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[EDO]A:303 |
4 |
1 |
182 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
13 |
5 |
11303 |
89.1 |
2.8 |
0.413 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[EDO]D:307 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
10979 |
87.6 |
2.9 |
0.406 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[EDO]C:306 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
11303 |
78.0 |
2.3 |
0.289 |
2 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[EDO]A:304 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10960 |
77.7 |
2.2 |
0.283 |
2 |
0 |
0 |
0.000 |
30 |
|
[EDO]D:305 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
10979 |
77.5 |
2.2 |
0.283 |
2 |
0 |
0 |
0.000 |
31 |
|
B |
11 |
5 |
11383 |
f |
[EDO]D:304 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
184 |
76.7 |
2.1 |
0.276 |
2 |
0 |
0 |
0.000 |
| Average: |
77.3 |
2.1 |
0.281 |
2 |
0 |
0 |
0.000 |
| 22 |
32 |
|
[EDO]A:304 |
4 |
1 |
184 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
11 |
5 |
11303 |
76.1 |
1.8 |
0.239 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]D:304 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
10979 |
75.4 |
1.7 |
0.235 |
0 |
0 |
0 |
0.000 |
| Average: |
75.7 |
1.7 |
0.237 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
B |
10 |
5 |
11383 |
◊ |
[EDO]D:305 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
184 |
74.3 |
1.7 |
0.238 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
A |
10 |
5 |
10960 |
◊ |
[EDO]C:306 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
187 |
71.7 |
1.7 |
0.669 |
0 |
0 |
0 |
0.000 |
| 25 |
36 |
|
[EDO]C:302 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
11303 |
64.2 |
2.2 |
0.308 |
3 |
0 |
0 |
0.000 |
| 26 |
37 |
|
[EDO]C:302 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
11383 |
64.2 |
2.1 |
0.302 |
4 |
0 |
0 |
0.000 |
| 27 |
38 |
|
B |
4 |
2 |
11383 |
x |
B |
x-1,y,z |
1_455 |
6 |
2 |
11383 |
53.4 |
0.5 |
0.723 |
1 |
2 |
0 |
0.000 |
| 28 |
39 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
10960 |
50.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.549 |
40 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
11303 |
50.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.549 |
| Average: |
50.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.549 |
| 29 |
41 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
2 |
11303 |
49.1 |
0.6 |
0.720 |
2 |
0 |
0 |
0.013 |
| 30 |
42 |
|
[EDO]D:302 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
11383 |
49.0 |
0.9 |
0.473 |
0 |
0 |
0 |
0.000 |
| 31 |
43 |
|
[EDO]C:304 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
2 |
11383 |
47.8 |
0.6 |
0.712 |
2 |
0 |
0 |
0.025 |
| 32 |
44 |
|
[EDO]A:303 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
10960 |
43.0 |
0.8 |
0.682 |
1 |
0 |
0 |
0.000 |
| 33 |
45 |
|
[EDO]B:305 |
3 |
1 |
183 |
f |
D |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
10979 |
41.2 |
0.7 |
0.689 |
1 |
0 |
0 |
0.000 |
| 34 |
46 |
|
B |
5 |
2 |
11383 |
f |
[EDO]D:307 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
182 |
36.7 |
0.7 |
0.751 |
1 |
0 |
0 |
0.000 |
| 35 |
47 |
|
[EDO]C:303 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
10960 |
26.1 |
0.1 |
0.560 |
0 |
0 |
0 |
0.000 |
| 36 |
48 |
|
A |
6 |
3 |
10960 |
x |
A |
x-1,y,z |
1_455 |
4 |
2 |
10960 |
21.1 |
-0.2 |
0.482 |
0 |
0 |
0 |
0.000 |
| 37 |
49 |
|
[EDO]C:304 |
2 |
1 |
182 |
◊ |
[EDO]C:302 |
x,y,z |
1_555 |
1 |
1 |
185 |
17.8 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
| 38 |
50 |
|
[EDO]C:302 |
1 |
1 |
185 |
f |
[EDO]B:302 |
x,y,z |
1_555 |
3 |
1 |
184 |
17.6 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
|