| ## |
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 |
93 |
29 |
16518 |
◊ |
B |
x,y,z |
1_555 |
91 |
25 |
16907 |
898.6 |
-10.4 |
0.046 |
8 |
4 |
0 |
0.738 |
2 |
|
D |
87 |
22 |
16713 |
◊ |
A |
x,y,z |
1_555 |
91 |
25 |
16938 |
850.7 |
-4.3 |
0.302 |
13 |
5 |
0 |
0.738 |
| Average: |
874.7 |
-7.3 |
0.174 |
11 |
5 |
0 |
0.738 |
| 2 |
3 |
|
B |
86 |
25 |
16907 |
◊ |
A |
x,y,z |
1_555 |
79 |
24 |
16938 |
738.3 |
-0.8 |
0.540 |
13 |
2 |
0 |
0.199 |
4 |
|
D |
46 |
14 |
16713 |
◊ |
C |
x,y,z |
1_555 |
44 |
15 |
16518 |
421.5 |
0.8 |
0.644 |
1 |
2 |
0 |
0.199 |
| Average: |
579.9 |
-0.0 |
0.592 |
7 |
2 |
0 |
0.199 |
| 3 |
5 |
|
C |
78 |
25 |
16518 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
68 |
19 |
16907 |
668.0 |
-0.8 |
0.529 |
7 |
4 |
0 |
0.000 |
| 4 |
6 |
|
C |
71 |
21 |
16518 |
◊ |
A |
x,y,z |
1_555 |
68 |
18 |
16938 |
639.1 |
-8.9 |
0.046 |
1 |
0 |
0 |
0.506 |
7 |
|
D |
54 |
17 |
16713 |
◊ |
B |
x,y,z |
1_555 |
61 |
17 |
16907 |
542.6 |
-6.1 |
0.110 |
4 |
1 |
0 |
0.506 |
| Average: |
590.9 |
-7.5 |
0.078 |
3 |
1 |
0 |
0.506 |
| 5 |
8 |
|
A |
43 |
16 |
16938 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
40 |
10 |
16938 |
371.8 |
2.5 |
0.789 |
3 |
0 |
0 |
0.000 |
| 6 |
9 |
|
C |
33 |
8 |
16518 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
42 |
13 |
16713 |
298.2 |
-1.7 |
0.349 |
3 |
2 |
0 |
0.000 |
| 7 |
10 |
|
[UDP]A:505 |
25 |
1 |
492 |
f |
A |
x,y,z |
1_555 |
33 |
13 |
16938 |
244.0 |
-2.6 |
0.586 |
9 |
0 |
0 |
0.191 |
| 8 |
11 |
|
D |
27 |
8 |
16713 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
10 |
16938 |
240.6 |
1.9 |
0.784 |
3 |
0 |
0 |
0.000 |
| 9 |
12 |
|
D |
30 |
8 |
16713 |
◊ |
C |
x-1,y,z |
1_455 |
33 |
10 |
16518 |
240.1 |
-1.8 |
0.353 |
2 |
0 |
0 |
0.000 |
| 10 |
13 |
|
B |
20 |
6 |
16907 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
22 |
11 |
16938 |
194.2 |
2.3 |
0.750 |
2 |
6 |
0 |
0.000 |
| 11 |
14 |
|
A |
23 |
6 |
16938 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
23 |
9 |
16518 |
193.2 |
1.0 |
0.653 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
A |
24 |
9 |
16938 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
23 |
11 |
16907 |
169.5 |
2.5 |
0.792 |
2 |
3 |
0 |
0.000 |
| 13 |
16 |
|
D |
20 |
7 |
16713 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
7 |
16907 |
131.8 |
1.0 |
0.691 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
C |
17 |
7 |
16518 |
x |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
4 |
16518 |
122.1 |
1.6 |
0.798 |
0 |
2 |
0 |
0.000 |
| 15 |
18 |
|
[EDO]A:503 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
16938 |
104.0 |
3.0 |
0.379 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]A:504 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
16938 |
103.9 |
2.3 |
0.322 |
4 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]D:503 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
16713 |
98.9 |
3.2 |
0.452 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]C:506 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
16518 |
94.7 |
2.6 |
0.367 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[EDO]B:501 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
16907 |
91.2 |
2.3 |
0.352 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[EDO]C:501 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
16518 |
89.3 |
2.6 |
0.442 |
2 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]D:502 |
4 |
1 |
184 |
f |
C |
x-1,y,z |
1_455 |
19 |
8 |
16518 |
87.3 |
1.8 |
0.227 |
5 |
0 |
0 |
0.016 |
| 22 |
25 |
|
[EDO]C:505 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
16518 |
80.9 |
2.0 |
0.249 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[EDO]C:503 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
16518 |
80.8 |
2.7 |
0.448 |
1 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[ACT]C:507 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
16518 |
80.8 |
-0.9 |
0.580 |
1 |
0 |
0 |
0.054 |
| 25 |
28 |
|
[EDO]D:501 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
16713 |
80.4 |
2.7 |
0.291 |
1 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[EDO]A:501 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16938 |
79.9 |
1.3 |
0.598 |
2 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[EDO]A:502 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
16938 |
79.6 |
2.8 |
0.475 |
1 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[EDO]B:502 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
16907 |
77.9 |
1.2 |
0.640 |
1 |
0 |
0 |
0.000 |
| 29 |
32 |
|
D |
11 |
5 |
16713 |
◊ |
[EDO]A:501 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
74.5 |
2.3 |
0.270 |
1 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[EDO]C:504 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
16518 |
71.4 |
1.6 |
0.716 |
3 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[EDO]D:502 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
16713 |
69.1 |
1.9 |
0.470 |
1 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[EDO]C:502 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
16713 |
67.8 |
1.8 |
0.747 |
2 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[EDO]C:503 |
4 |
1 |
185 |
f |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
3 |
16907 |
65.1 |
2.2 |
0.917 |
1 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[EDO]C:502 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
16518 |
61.5 |
1.3 |
0.713 |
1 |
0 |
0 |
0.000 |
| 35 |
38 |
|
[EDO]A:502 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
16907 |
61.2 |
1.8 |
0.920 |
5 |
0 |
0 |
0.017 |
| 36 |
39 |
|
[EDO]B:502 |
2 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
16518 |
38.8 |
1.1 |
0.842 |
1 |
0 |
0 |
0.000 |
| 37 |
40 |
|
D |
5 |
2 |
16713 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
16938 |
37.4 |
1.1 |
0.828 |
0 |
0 |
0 |
0.000 |
| 38 |
41 |
|
[ACT]C:507 |
3 |
1 |
182 |
f |
[EDO]C:505 |
x,y,z |
1_555 |
4 |
1 |
184 |
36.9 |
0.4 |
0.771 |
0 |
0 |
0 |
0.000 |
| 39 |
42 |
|
[UDP]A:505 |
4 |
1 |
492 |
f |
[EDO]A:503 |
x,y,z |
1_555 |
3 |
1 |
184 |
36.0 |
-1.2 |
0.619 |
2 |
0 |
0 |
0.062 |
| 40 |
43 |
|
[EDO]C:505 |
4 |
1 |
184 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
16713 |
34.7 |
1.3 |
0.922 |
0 |
0 |
0 |
0.000 |
| 41 |
44 |
|
[EDO]C:506 |
2 |
1 |
183 |
f |
[EDO]C:504 |
x,y,z |
1_555 |
1 |
1 |
185 |
26.0 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
|