| ## |
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 |
134 |
44 |
14402 |
◊ |
A |
x,y,z |
1_555 |
133 |
43 |
14056 |
1350.3 |
-10.5 |
0.257 |
36 |
10 |
0 |
1.000 |
| 2 |
2 |
|
A |
65 |
25 |
14056 |
◊ |
B |
x-1,y,z |
1_455 |
56 |
20 |
14402 |
527.6 |
-4.2 |
0.326 |
4 |
5 |
0 |
0.000 |
| 3 |
3 |
|
B |
44 |
15 |
14402 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
13 |
14402 |
399.2 |
-0.4 |
0.573 |
6 |
2 |
0 |
0.000 |
| 4 |
4 |
|
A |
40 |
10 |
14056 |
x |
A |
x,y,z-1 |
1_554 |
33 |
8 |
14056 |
318.5 |
-2.0 |
0.487 |
4 |
2 |
0 |
0.000 |
| 5 |
5 |
|
F |
19 |
3 |
523 |
◊ |
B |
x,y,z |
1_555 |
48 |
16 |
14402 |
298.9 |
-4.4 |
0.546 |
4 |
0 |
0 |
1.000 |
6 |
|
E |
19 |
3 |
521 |
◊ |
A |
x,y,z |
1_555 |
50 |
17 |
14056 |
281.4 |
-4.6 |
0.560 |
4 |
0 |
0 |
1.000 |
| Average: |
290.2 |
-4.5 |
0.553 |
4 |
0 |
0 |
1.000 |
| 6 |
7 |
|
B |
24 |
4 |
14402 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
14 |
14056 |
288.8 |
-2.7 |
0.292 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
20 |
6 |
14056 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
13 |
14402 |
239.3 |
-2.1 |
0.359 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[0JU]F:5 |
9 |
1 |
298 |
cf |
B |
x,y,z |
1_555 |
28 |
13 |
14402 |
157.6 |
-0.6 |
0.235 |
4 |
0 |
0 |
0.627 |
10 |
|
[0JU]E:5 |
9 |
1 |
298 |
cf |
A |
x,y,z |
1_555 |
23 |
12 |
14056 |
149.3 |
-0.6 |
0.220 |
4 |
0 |
0 |
0.627 |
| Average: |
153.5 |
-0.6 |
0.228 |
4 |
0 |
0 |
0.627 |
| 9 |
11 |
|
B |
16 |
4 |
14402 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
14 |
5 |
14402 |
151.2 |
-1.1 |
0.431 |
3 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[GOL]B:404 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
14402 |
143.7 |
-0.5 |
0.506 |
1 |
0 |
0 |
0.130 |
| 11 |
13 |
|
[BOC]E:1 |
6 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
14056 |
111.0 |
1.0 |
0.221 |
0 |
0 |
0 |
0.000 |
14 |
|
[BOC]F:1 |
6 |
1 |
252 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
14402 |
108.6 |
1.1 |
0.224 |
0 |
0 |
0 |
0.000 |
| Average: |
109.8 |
1.1 |
0.223 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[EDO]A:402 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
14056 |
105.7 |
3.4 |
0.511 |
5 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[EDO]B:401 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
14402 |
104.6 |
3.4 |
0.517 |
2 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[EDO]B:406 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
14402 |
96.9 |
2.8 |
0.375 |
2 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[EDO]B:405 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
14402 |
90.6 |
1.6 |
0.209 |
4 |
0 |
0 |
0.022 |
| 16 |
19 |
|
A |
7 |
3 |
14056 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
10 |
4 |
14402 |
85.3 |
-1.4 |
0.263 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]A:403 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14056 |
79.7 |
1.9 |
0.266 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]B:403 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
14402 |
78.6 |
1.7 |
0.245 |
2 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[EDO]A:401 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14056 |
77.0 |
2.2 |
0.276 |
2 |
0 |
0 |
0.000 |
| 20 |
23 |
|
A |
11 |
5 |
14056 |
f |
[EDO]B:402 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
75.8 |
2.1 |
0.285 |
3 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]A:401 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
14402 |
75.8 |
2.2 |
0.282 |
1 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[EDO]B:402 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
14402 |
68.6 |
1.8 |
0.799 |
1 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[0JU]F:5 |
8 |
1 |
298 |
c |
F |
x,y,z |
1_555 |
5 |
2 |
523 |
62.3 |
-0.3 |
0.408 |
1 |
0 |
0 |
0.182 |
27 |
|
[0JU]E:5 |
8 |
1 |
298 |
c |
E |
x,y,z |
1_555 |
6 |
2 |
521 |
61.7 |
-0.2 |
0.430 |
1 |
0 |
0 |
0.182 |
| Average: |
62.0 |
-0.3 |
0.419 |
1 |
0 |
0 |
0.182 |
| 24 |
28 |
|
[BOC]E:1 |
4 |
1 |
253 |
cf |
E |
x,y,z |
1_555 |
4 |
2 |
521 |
62.1 |
0.1 |
0.224 |
1 |
0 |
0 |
0.100 |
29 |
|
[BOC]F:1 |
4 |
1 |
252 |
cf |
F |
x,y,z |
1_555 |
5 |
2 |
523 |
60.3 |
0.0 |
0.227 |
1 |
0 |
0 |
0.100 |
| Average: |
61.2 |
0.1 |
0.226 |
1 |
0 |
0 |
0.100 |
| 25 |
30 |
|
[EDO]B:403 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
14056 |
44.6 |
0.8 |
0.446 |
1 |
0 |
0 |
0.000 |
| 26 |
31 |
|
A |
5 |
3 |
14056 |
f |
[EDO]B:406 |
x-1,y,z |
1_455 |
2 |
1 |
186 |
36.5 |
0.9 |
0.839 |
1 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[0JU]E:5 |
1 |
1 |
298 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14402 |
20.1 |
0.9 |
0.891 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[0JU]F:5 |
1 |
1 |
298 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14056 |
15.6 |
0.7 |
0.877 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
A |
1 |
1 |
14056 |
◊ |
[GOL]B:404 |
x-1,y,z |
1_455 |
1 |
1 |
221 |
7.6 |
0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[0JU]E:5 |
1 |
1 |
298 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
14402 |
2.8 |
0.2 |
0.673 |
0 |
0 |
0 |
0.000 |
|