| ## |
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 |
61 |
15 |
10678 |
◊ |
E |
x,y-1,z |
1_545 |
62 |
21 |
10638 |
534.3 |
7.3 |
0.757 |
12 |
7 |
0 |
0.000 |
2 |
|
D |
59 |
22 |
10678 |
◊ |
B |
x,y,z |
1_555 |
58 |
16 |
10648 |
494.9 |
6.7 |
0.742 |
10 |
8 |
0 |
0.000 |
3 |
|
C |
59 |
16 |
10720 |
◊ |
A |
x,y,z |
1_555 |
60 |
20 |
10603 |
485.4 |
6.0 |
0.676 |
9 |
6 |
0 |
0.000 |
4 |
|
E |
58 |
16 |
10638 |
◊ |
C |
x-1,y,z |
1_455 |
53 |
17 |
10720 |
465.5 |
6.3 |
0.730 |
10 |
8 |
0 |
0.000 |
| Average: |
495.0 |
6.6 |
0.727 |
10 |
7 |
0 |
0.000 |
| 2 |
5 |
|
B |
58 |
19 |
10648 |
◊ |
A |
x,y,z |
1_555 |
55 |
14 |
10603 |
492.5 |
5.3 |
0.795 |
12 |
8 |
0 |
0.000 |
| 3 |
6 |
|
B |
38 |
10 |
10648 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
12 |
10720 |
375.7 |
-2.5 |
0.167 |
3 |
0 |
0 |
0.000 |
| 4 |
7 |
|
D |
35 |
9 |
10678 |
◊ |
A |
x-1,y,z |
1_455 |
36 |
9 |
10603 |
278.4 |
-2.4 |
0.204 |
3 |
3 |
0 |
0.000 |
| 5 |
8 |
|
E |
22 |
10 |
10638 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
9 |
10603 |
193.8 |
0.2 |
0.525 |
6 |
0 |
0 |
0.000 |
9 |
|
B |
23 |
10 |
10648 |
◊ |
E |
x,y-1,z |
1_545 |
17 |
8 |
10638 |
170.8 |
-0.4 |
0.437 |
2 |
0 |
0 |
0.000 |
| Average: |
182.3 |
-0.1 |
0.481 |
4 |
0 |
0 |
0.000 |
| 6 |
10 |
|
A |
23 |
7 |
10603 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
20 |
6 |
10720 |
192.9 |
-0.6 |
0.347 |
2 |
2 |
0 |
0.000 |
| 7 |
11 |
|
D |
20 |
8 |
10678 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
10603 |
169.1 |
-0.3 |
0.432 |
3 |
0 |
0 |
0.000 |
12 |
|
D |
18 |
8 |
10678 |
◊ |
C |
x-1,y-1,z |
1_445 |
11 |
5 |
10720 |
129.0 |
-0.1 |
0.469 |
2 |
0 |
0 |
0.000 |
| Average: |
149.0 |
-0.2 |
0.450 |
3 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[MES]A:302 |
10 |
1 |
326 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
10603 |
166.9 |
4.5 |
0.275 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[MES]B:301 |
11 |
1 |
338 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
10648 |
158.3 |
4.3 |
0.134 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
D |
26 |
8 |
10678 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
22 |
5 |
10603 |
157.8 |
1.8 |
0.689 |
4 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[PEG]B:304 |
7 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
10648 |
147.6 |
3.6 |
0.378 |
5 |
0 |
0 |
0.000 |
| 12 |
17 |
|
B |
15 |
8 |
10648 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
10638 |
135.6 |
0.8 |
0.504 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
B |
15 |
4 |
10648 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
6 |
10648 |
134.3 |
0.9 |
0.579 |
3 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[MES]C:301 |
11 |
1 |
339 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
10603 |
129.6 |
3.7 |
0.081 |
0 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[MES]A:301 |
10 |
1 |
342 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
10603 |
112.1 |
4.3 |
0.115 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[IPA]C:305 |
4 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
10720 |
102.4 |
3.5 |
0.268 |
4 |
0 |
0 |
0.000 |
| 17 |
22 |
|
B |
17 |
4 |
10648 |
◊ |
C |
x,y-1,z |
1_545 |
8 |
3 |
10720 |
97.7 |
-1.7 |
0.195 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[MES]A:302 |
8 |
1 |
326 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
10648 |
97.7 |
4.7 |
0.383 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
10648 |
92.1 |
2.3 |
0.240 |
5 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[IPA]C:306 |
4 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
16 |
4 |
10720 |
92.0 |
2.9 |
0.245 |
1 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[IPA]C:304 |
4 |
1 |
198 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
10720 |
79.9 |
2.9 |
0.292 |
1 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[EDO]A:303 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10603 |
75.6 |
1.6 |
0.656 |
1 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[MES]C:301 |
6 |
1 |
339 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
10720 |
71.6 |
1.4 |
0.074 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
10648 |
68.9 |
2.5 |
0.274 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[EDO]C:303 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
10720 |
67.4 |
1.8 |
0.241 |
2 |
0 |
0 |
0.000 |
| 26 |
31 |
|
D |
6 |
2 |
10678 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
8 |
4 |
10720 |
63.9 |
-0.2 |
0.444 |
0 |
2 |
0 |
0.000 |
| 27 |
32 |
|
[EDO]C:302 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
10720 |
62.3 |
1.7 |
0.793 |
1 |
0 |
0 |
0.000 |
| 28 |
33 |
|
D |
8 |
3 |
10678 |
◊ |
C |
x,y-1,z |
1_545 |
6 |
2 |
10720 |
60.4 |
-1.2 |
0.187 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
E |
9 |
4 |
10638 |
◊ |
[IPA]C:304 |
x-1,y,z |
1_455 |
3 |
1 |
198 |
58.7 |
2.9 |
0.308 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
10603 |
55.6 |
1.1 |
0.520 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
B |
10 |
3 |
10648 |
f |
[EDO]C:302 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
186 |
48.4 |
0.5 |
0.445 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[MES]B:301 |
4 |
1 |
338 |
f |
B |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
10648 |
45.4 |
0.2 |
0.080 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[IPA]C:306 |
1 |
1 |
198 |
◊ |
[EDO]C:302 |
x,y,z |
1_555 |
4 |
1 |
186 |
42.0 |
2.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
A |
4 |
1 |
10603 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
2 |
10720 |
33.4 |
-0.3 |
0.327 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[IPA]C:304 |
2 |
1 |
198 |
f |
[EDO]C:303 |
x,y,z |
1_555 |
2 |
1 |
184 |
33.2 |
1.8 |
0.707 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[EDO]B:302 |
2 |
1 |
184 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
10648 |
31.3 |
0.6 |
0.278 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
C |
7 |
5 |
10720 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
10648 |
23.6 |
-0.3 |
0.425 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
[EDO]A:303 |
2 |
1 |
186 |
f |
C |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
3 |
10720 |
19.7 |
0.1 |
0.408 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
E |
3 |
2 |
10638 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
10648 |
16.3 |
-0.3 |
0.366 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[MES]A:301 |
1 |
1 |
342 |
f |
C |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
10720 |
4.1 |
0.2 |
0.368 |
0 |
0 |
0 |
0.000 |
| 41 |
46 |
|
[MES]C:301 |
1 |
1 |
339 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
10648 |
3.4 |
0.0 |
0.297 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[EDO]C:303 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
10603 |
1.5 |
0.1 |
0.853 |
0 |
0 |
0 |
0.000 |
|