| ## |
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 |
|
C |
233 |
67 |
13541 |
◊ |
B |
x,y,z |
1_555 |
234 |
59 |
13570 |
2246.5 |
-26.1 |
0.192 |
39 |
4 |
0 |
0.300 |
2 |
|
D |
229 |
66 |
13434 |
◊ |
C |
x,y,z |
1_555 |
232 |
58 |
13541 |
2237.3 |
-25.9 |
0.186 |
34 |
4 |
0 |
0.300 |
3 |
|
E |
224 |
63 |
13571 |
◊ |
D |
x,y,z |
1_555 |
227 |
55 |
13434 |
2209.0 |
-27.4 |
0.146 |
37 |
5 |
0 |
0.300 |
4 |
|
B |
225 |
65 |
13570 |
◊ |
A |
x,y,z |
1_555 |
227 |
54 |
13496 |
2207.7 |
-27.6 |
0.145 |
37 |
5 |
0 |
0.300 |
5 |
|
E |
224 |
55 |
13571 |
◊ |
A |
x,y,z |
1_555 |
225 |
64 |
13496 |
2202.5 |
-27.2 |
0.142 |
38 |
5 |
0 |
0.300 |
| Average: |
2220.6 |
-26.8 |
0.162 |
37 |
5 |
0 |
0.300 |
| 2 |
6 |
|
E |
29 |
9 |
13571 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
29 |
9 |
13571 |
254.3 |
-1.5 |
0.617 |
8 |
0 |
0 |
0.017 |
7 |
|
C |
30 |
8 |
13541 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
28 |
7 |
13570 |
242.0 |
-1.4 |
0.622 |
9 |
1 |
0 |
0.017 |
8 |
|
D |
27 |
7 |
13434 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
29 |
7 |
13496 |
241.5 |
-0.8 |
0.698 |
9 |
1 |
0 |
0.017 |
| Average: |
246.0 |
-1.2 |
0.646 |
9 |
1 |
0 |
0.017 |
| 3 |
9 |
|
[SIA]B:301 |
16 |
1 |
444 |
f |
B |
x,y,z |
1_555 |
33 |
12 |
13570 |
220.7 |
-1.3 |
0.466 |
6 |
0 |
0 |
0.005 |
| 4 |
10 |
|
[SIA]E:301 |
17 |
1 |
447 |
f |
E |
x,y,z |
1_555 |
29 |
12 |
13571 |
218.1 |
-1.6 |
0.455 |
7 |
0 |
0 |
0.012 |
11 |
|
[SIA]A:301 |
16 |
1 |
444 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
13496 |
214.8 |
-1.4 |
0.455 |
6 |
0 |
0 |
0.012 |
| Average: |
216.5 |
-1.5 |
0.455 |
7 |
0 |
0 |
0.012 |
| 5 |
12 |
|
C |
27 |
10 |
13541 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
15 |
6 |
13571 |
209.2 |
0.4 |
0.778 |
4 |
4 |
0 |
0.000 |
| 6 |
13 |
|
[GOL]B:304 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
13570 |
126.9 |
-0.3 |
0.622 |
3 |
0 |
0 |
0.002 |
| 7 |
14 |
|
[GOL]A:302 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
13496 |
126.9 |
-0.5 |
0.576 |
3 |
0 |
0 |
0.002 |
| 8 |
15 |
|
[GOL]E:305 |
6 |
1 |
212 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
13571 |
122.0 |
-0.7 |
0.656 |
4 |
0 |
0 |
0.003 |
| 9 |
16 |
|
[GOL]D:301 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
13434 |
121.1 |
-0.4 |
0.643 |
6 |
0 |
0 |
0.004 |
| 10 |
17 |
|
C |
15 |
5 |
13541 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
13 |
5 |
13434 |
118.3 |
0.3 |
0.754 |
2 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[K]B:305 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
13570 |
116.5 |
-88.9 |
0.000 |
0 |
0 |
0 |
0.592 |
19 |
|
[K]A:307 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13496 |
115.7 |
-86.4 |
0.000 |
0 |
0 |
0 |
0.592 |
20 |
|
[K]C:306 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
13541 |
115.4 |
-89.1 |
0.000 |
0 |
0 |
0 |
0.592 |
21 |
|
[K]E:307 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
13571 |
110.4 |
-85.2 |
0.000 |
0 |
0 |
0 |
0.592 |
22 |
|
[K]D:302 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
13434 |
109.8 |
-84.4 |
0.000 |
0 |
0 |
0 |
0.592 |
| Average: |
113.5 |
-86.8 |
0.000 |
0 |
0 |
0 |
0.592 |
| 12 |
23 |
|
[EDO]E:304 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
18 |
7 |
13571 |
106.7 |
2.9 |
0.477 |
3 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[EDO]A:303 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
13496 |
106.5 |
3.1 |
0.491 |
3 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
13570 |
106.3 |
3.6 |
0.533 |
2 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[EDO]E:306 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
18 |
9 |
13571 |
105.7 |
3.2 |
0.528 |
4 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[EDO]C:302 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
13541 |
105.6 |
3.3 |
0.530 |
4 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[EDO]A:306 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
13496 |
105.4 |
3.3 |
0.523 |
4 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[EDO]C:301 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
13541 |
95.1 |
2.3 |
0.451 |
1 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[EDO]B:302 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
13570 |
94.9 |
2.1 |
0.460 |
1 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[EDO]A:305 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13496 |
93.8 |
2.7 |
0.479 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[EDO]E:302 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
17 |
6 |
13571 |
91.8 |
1.8 |
0.259 |
2 |
0 |
0 |
0.000 |
| 22 |
33 |
|
[EDO]C:304 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
19 |
9 |
13541 |
87.2 |
2.3 |
0.518 |
3 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[K]C:305 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
13434 |
75.4 |
-42.2 |
0.000 |
0 |
0 |
0 |
0.058 |
| 24 |
35 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
13496 |
75.2 |
1.7 |
0.232 |
1 |
0 |
0 |
0.000 |
| 25 |
36 |
|
[EDO]C:303 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
13541 |
73.7 |
1.5 |
0.229 |
1 |
0 |
0 |
0.000 |
| 26 |
37 |
|
[K]C:305 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
13541 |
73.0 |
-39.9 |
0.000 |
0 |
0 |
0 |
0.054 |
| 27 |
38 |
|
[EDO]E:303 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
13571 |
72.6 |
1.7 |
0.224 |
1 |
0 |
0 |
0.000 |
| 28 |
39 |
|
B |
11 |
4 |
13570 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
12 |
6 |
13571 |
72.2 |
1.3 |
0.874 |
0 |
0 |
0 |
0.000 |
| 29 |
40 |
|
A |
5 |
2 |
13496 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
9 |
3 |
13541 |
64.8 |
-0.1 |
0.626 |
1 |
0 |
0 |
0.000 |
41 |
|
B |
5 |
2 |
13570 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
9 |
3 |
13434 |
63.3 |
-0.2 |
0.611 |
1 |
0 |
0 |
0.000 |
| Average: |
64.1 |
-0.1 |
0.619 |
1 |
0 |
0 |
0.000 |
| 30 |
42 |
|
[SIA]A:301 |
6 |
1 |
444 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
13570 |
58.3 |
-1.2 |
0.354 |
0 |
0 |
0 |
0.003 |
43 |
|
[SIA]E:301 |
6 |
1 |
447 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
13496 |
57.1 |
-1.2 |
0.370 |
0 |
0 |
0 |
0.003 |
| Average: |
57.7 |
-1.2 |
0.362 |
0 |
0 |
0 |
0.003 |
| 31 |
44 |
|
[SIA]B:301 |
4 |
1 |
444 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
13541 |
44.0 |
-1.3 |
0.338 |
0 |
0 |
0 |
0.002 |
| 32 |
45 |
|
B |
5 |
1 |
13570 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
13434 |
43.4 |
-0.3 |
0.332 |
0 |
0 |
0 |
0.000 |
| 33 |
46 |
|
[GOL]E:305 |
4 |
1 |
212 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
13434 |
39.5 |
-0.4 |
0.587 |
0 |
0 |
0 |
0.000 |
| 34 |
47 |
|
[GOL]B:304 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
13496 |
39.3 |
0.4 |
0.651 |
1 |
0 |
0 |
0.000 |
48 |
|
[GOL]A:302 |
4 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
13571 |
38.7 |
0.5 |
0.684 |
2 |
0 |
0 |
0.000 |
| Average: |
39.0 |
0.4 |
0.668 |
2 |
0 |
0 |
0.001 |
| 35 |
49 |
|
[GOL]D:301 |
3 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
13541 |
36.4 |
0.1 |
0.584 |
2 |
0 |
0 |
0.001 |
| 36 |
50 |
|
[EDO]C:304 |
4 |
1 |
185 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
3 |
2 |
13571 |
35.8 |
0.5 |
0.441 |
0 |
0 |
0 |
0.000 |
| 37 |
51 |
|
B |
3 |
1 |
13570 |
◊ |
[K]E:307 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
29.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 38 |
52 |
|
[EDO]A:305 |
2 |
1 |
185 |
f |
[EDO]A:304 |
x,y,z |
1_555 |
3 |
1 |
185 |
27.4 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
| 39 |
53 |
|
[EDO]E:303 |
2 |
1 |
186 |
f |
[EDO]E:302 |
x,y,z |
1_555 |
2 |
1 |
184 |
27.1 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 40 |
54 |
|
[EDO]C:304 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
13570 |
26.5 |
0.5 |
0.815 |
0 |
0 |
0 |
0.000 |
| 41 |
55 |
|
[EDO]C:304 |
3 |
1 |
185 |
f |
D |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
13434 |
26.4 |
0.8 |
0.944 |
1 |
0 |
0 |
0.000 |
| 42 |
56 |
|
[EDO]E:304 |
2 |
1 |
186 |
f |
[EDO]E:302 |
x,y,z |
1_555 |
2 |
1 |
184 |
21.5 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
| 43 |
57 |
|
[EDO]A:305 |
2 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
13571 |
17.9 |
1.4 |
0.979 |
0 |
0 |
0 |
0.000 |
| 44 |
58 |
|
[EDO]A:305 |
1 |
1 |
185 |
f |
[EDO]A:303 |
x,y,z |
1_555 |
2 |
1 |
184 |
17.6 |
0.4 |
1.000 |
1 |
0 |
0 |
0.000 |
| 45 |
59 |
|
[EDO]C:303 |
2 |
1 |
184 |
f |
[EDO]C:301 |
x,y,z |
1_555 |
2 |
1 |
184 |
17.4 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 46 |
60 |
|
B |
2 |
2 |
13570 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
2 |
13496 |
14.7 |
0.4 |
0.817 |
0 |
0 |
0 |
0.000 |
| 47 |
61 |
|
[EDO]B:302 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
13496 |
13.0 |
1.1 |
0.981 |
0 |
0 |
0 |
0.000 |
| 48 |
62 |
|
[EDO]C:301 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
13570 |
12.5 |
1.0 |
0.980 |
0 |
0 |
0 |
0.000 |
| 49 |
63 |
|
[EDO]E:302 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
13434 |
11.4 |
1.0 |
0.975 |
0 |
0 |
0 |
0.000 |
|