| ## |
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 |
176 |
46 |
15356 |
◊ |
A |
x,y,z |
1_555 |
167 |
48 |
16524 |
1726.4 |
-21.5 |
0.115 |
12 |
0 |
0 |
1.000 |
2 |
|
D |
172 |
45 |
15356 |
◊ |
C |
x,y,z |
1_555 |
166 |
45 |
16321 |
1697.3 |
-21.5 |
0.114 |
13 |
0 |
0 |
1.000 |
| Average: |
1711.8 |
-21.5 |
0.115 |
13 |
0 |
0 |
1.000 |
| 2 |
3 |
|
B |
100 |
27 |
15356 |
◊ |
A |
-x+1,-y,z |
2_655 |
101 |
26 |
16524 |
934.7 |
-9.2 |
0.265 |
2 |
3 |
0 |
0.418 |
4 |
|
D |
103 |
28 |
15356 |
◊ |
C |
-x+1,-y,z |
2_655 |
90 |
24 |
16321 |
917.0 |
-10.5 |
0.171 |
2 |
2 |
0 |
0.418 |
| Average: |
925.9 |
-9.9 |
0.218 |
2 |
3 |
0 |
0.418 |
| 3 |
5 |
|
D |
87 |
26 |
15356 |
◊ |
B |
x,y,z |
1_555 |
82 |
25 |
15356 |
757.0 |
-4.8 |
0.555 |
3 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
80 |
19 |
16524 |
◊ |
A |
-x+1,-y,z |
2_655 |
80 |
19 |
16524 |
688.6 |
-12.6 |
0.103 |
3 |
0 |
0 |
0.276 |
7 |
|
C |
75 |
19 |
16321 |
◊ |
C |
-x+1,-y,z |
2_655 |
75 |
20 |
16321 |
672.5 |
-12.5 |
0.086 |
2 |
0 |
0 |
0.276 |
| Average: |
680.5 |
-12.5 |
0.095 |
3 |
0 |
0 |
0.276 |
| 5 |
8 |
|
B |
65 |
19 |
15356 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
63 |
19 |
16524 |
591.8 |
-1.8 |
0.724 |
2 |
4 |
0 |
0.000 |
9 |
|
C |
56 |
19 |
16321 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
57 |
18 |
15356 |
539.6 |
-4.6 |
0.439 |
2 |
4 |
0 |
0.000 |
| Average: |
565.7 |
-3.2 |
0.582 |
2 |
4 |
0 |
0.000 |
| 6 |
10 |
|
[6L7]C:506 |
29 |
1 |
644 |
f |
C |
x,y,z |
1_555 |
74 |
31 |
16321 |
462.2 |
-0.5 |
0.520 |
6 |
0 |
0 |
0.698 |
11 |
|
[6L7]B:507 |
28 |
1 |
639 |
f |
B |
x,y,z |
1_555 |
78 |
32 |
15356 |
449.2 |
-0.5 |
0.505 |
7 |
0 |
0 |
0.698 |
12 |
|
[6L7]A:508 |
29 |
1 |
638 |
f |
A |
x,y,z |
1_555 |
80 |
31 |
16524 |
445.2 |
-0.5 |
0.536 |
5 |
0 |
0 |
0.698 |
13 |
|
[6L7]D:504 |
29 |
1 |
636 |
f |
D |
x,y,z |
1_555 |
72 |
29 |
15356 |
441.6 |
0.0 |
0.516 |
5 |
0 |
0 |
0.698 |
| Average: |
449.5 |
-0.4 |
0.519 |
6 |
0 |
0 |
0.698 |
| 7 |
14 |
|
C |
37 |
13 |
16321 |
◊ |
D |
x-1,y,z |
1_455 |
44 |
15 |
15356 |
390.1 |
-2.0 |
0.547 |
1 |
2 |
0 |
0.000 |
| 8 |
15 |
|
B |
32 |
13 |
15356 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
11 |
16524 |
303.7 |
0.4 |
0.790 |
1 |
1 |
0 |
0.000 |
| 9 |
16 |
|
[B3P]D:503 |
16 |
1 |
477 |
f |
D |
x,y,z |
1_555 |
46 |
14 |
15356 |
274.4 |
4.2 |
0.490 |
5 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[B3P]B:506 |
16 |
1 |
475 |
f |
B |
x,y,z |
1_555 |
42 |
12 |
15356 |
265.5 |
3.3 |
0.448 |
5 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[B3P]A:507 |
17 |
1 |
472 |
◊ |
A |
x,y,z |
1_555 |
44 |
13 |
16524 |
264.9 |
2.9 |
0.423 |
6 |
0 |
0 |
0.000 |
| 12 |
19 |
|
D |
21 |
9 |
15356 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
24 |
10 |
16321 |
202.2 |
-1.7 |
0.500 |
0 |
1 |
0 |
0.000 |
| 13 |
20 |
|
B |
19 |
8 |
15356 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
16 |
8 |
16524 |
171.2 |
-0.6 |
0.608 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
D |
17 |
5 |
15356 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
16524 |
156.3 |
-2.0 |
0.364 |
1 |
0 |
0 |
0.000 |
22 |
|
C |
16 |
6 |
16321 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
15356 |
149.1 |
-1.8 |
0.387 |
1 |
0 |
0 |
0.000 |
| Average: |
152.7 |
-1.9 |
0.376 |
1 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[M2M]A:506 |
9 |
1 |
323 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
16524 |
147.4 |
4.4 |
0.173 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[EDO]C:504 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
23 |
10 |
16321 |
118.6 |
3.1 |
0.498 |
1 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[DXE]A:505 |
6 |
1 |
249 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
16524 |
114.4 |
2.9 |
0.245 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[EDO]A:501 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
16524 |
102.4 |
2.1 |
0.421 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[PEG]A:504 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
16524 |
95.8 |
1.9 |
0.218 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[EDO]D:501 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
22 |
6 |
15356 |
95.7 |
1.9 |
0.423 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[EDO]B:501 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
15356 |
95.6 |
1.8 |
0.243 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[EDO]C:501 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
23 |
7 |
16321 |
87.4 |
2.3 |
0.288 |
1 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[EDO]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
16524 |
80.8 |
1.9 |
0.260 |
2 |
0 |
0 |
0.000 |
| 24 |
32 |
|
A |
11 |
4 |
16524 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
11 |
4 |
16524 |
76.5 |
-1.7 |
0.345 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[PEG]D:502 |
7 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
16524 |
74.2 |
1.1 |
0.202 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[EDO]B:504 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
15356 |
72.1 |
1.2 |
0.629 |
1 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[EDO]B:502 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
15356 |
71.9 |
1.3 |
0.639 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[EDO]B:503 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
15356 |
69.0 |
1.8 |
0.815 |
1 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[DXE]C:505 |
6 |
1 |
255 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
15356 |
66.9 |
2.1 |
0.080 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[EDO]C:503 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
16321 |
63.9 |
1.8 |
0.833 |
1 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[DXE]C:505 |
5 |
1 |
255 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
16321 |
63.7 |
1.9 |
0.105 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[PEG]D:502 |
5 |
1 |
255 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
15356 |
62.5 |
2.1 |
0.406 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
[EDO]C:502 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
16321 |
57.9 |
1.3 |
0.277 |
0 |
0 |
0 |
0.000 |
| 34 |
42 |
|
[EDO]B:505 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
15356 |
53.3 |
1.6 |
0.301 |
1 |
0 |
0 |
0.000 |
| 35 |
43 |
|
[EDO]B:505 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
16524 |
53.3 |
1.5 |
0.916 |
1 |
0 |
0 |
0.000 |
| 36 |
44 |
|
[6L7]B:507 |
5 |
1 |
639 |
f |
[B3P]B:506 |
x,y,z |
1_555 |
6 |
1 |
475 |
52.4 |
0.9 |
0.331 |
0 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[6L7]D:504 |
5 |
1 |
636 |
f |
[B3P]D:503 |
x,y,z |
1_555 |
6 |
1 |
477 |
51.8 |
-0.6 |
0.174 |
0 |
0 |
0 |
0.033 |
| 38 |
46 |
|
[6L7]A:508 |
5 |
1 |
638 |
◊ |
[B3P]A:507 |
x,y,z |
1_555 |
6 |
1 |
472 |
49.2 |
1.2 |
0.359 |
1 |
0 |
0 |
0.000 |
| 39 |
47 |
|
[EDO]B:502 |
3 |
1 |
183 |
f |
A |
-x+1,-y,z |
2_655 |
8 |
3 |
16524 |
49.0 |
1.3 |
0.818 |
2 |
0 |
0 |
0.000 |
| 40 |
48 |
|
[EDO]A:503 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
16524 |
46.9 |
0.6 |
0.655 |
0 |
0 |
0 |
0.000 |
| 41 |
49 |
|
[M2M]A:506 |
1 |
1 |
323 |
f |
[PEG]A:504 |
x,y,z |
1_555 |
2 |
1 |
255 |
25.3 |
1.3 |
0.337 |
0 |
0 |
0 |
0.000 |
| 42 |
50 |
|
C |
2 |
1 |
16321 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
2 |
1 |
16321 |
19.8 |
0.3 |
0.796 |
0 |
0 |
0 |
0.000 |
| 43 |
51 |
|
[6L7]C:506 |
1 |
1 |
644 |
f |
[EDO]C:504 |
x,y,z |
1_555 |
1 |
1 |
183 |
16.0 |
0.2 |
0.670 |
0 |
0 |
0 |
0.000 |
| 44 |
52 |
|
[DXE]C:505 |
1 |
1 |
255 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
15356 |
15.4 |
0.5 |
0.425 |
0 |
0 |
0 |
0.000 |
| 45 |
53 |
|
[PEG]D:502 |
3 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
15356 |
15.2 |
0.2 |
0.232 |
0 |
0 |
0 |
0.000 |
| 46 |
54 |
|
C |
3 |
1 |
16321 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
2 |
1 |
16524 |
12.0 |
0.1 |
0.708 |
0 |
0 |
0 |
0.000 |
| 47 |
55 |
|
D |
1 |
1 |
15356 |
◊ |
D |
-x+2,-y,z |
2_755 |
1 |
1 |
15356 |
4.1 |
0.3 |
0.866 |
0 |
0 |
0 |
0.000 |
| 48 |
56 |
|
B |
1 |
1 |
15356 |
f |
[B3P]A:507 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
472 |
3.1 |
0.1 |
0.335 |
0 |
0 |
0 |
0.000 |
| 49 |
57 |
|
A |
2 |
2 |
16524 |
◊ |
A |
-x+2,-y,z |
2_755 |
2 |
2 |
16524 |
0.9 |
-0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
|