| ## |
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 |
132 |
31 |
15576 |
◊ |
A |
x,y,z |
1_555 |
134 |
31 |
15561 |
1307.6 |
-15.8 |
0.053 |
14 |
4 |
0 |
0.252 |
| 2 |
2 |
|
D |
121 |
31 |
15961 |
◊ |
C |
x,y,z |
1_555 |
126 |
30 |
15245 |
1240.0 |
-20.1 |
0.009 |
11 |
4 |
0 |
0.277 |
| 3 |
3 |
|
C |
63 |
18 |
15245 |
◊ |
B |
-x+1,-y+2,z |
2_675 |
55 |
14 |
15576 |
549.3 |
-4.7 |
0.261 |
6 |
1 |
0 |
0.000 |
| 4 |
4 |
|
A |
42 |
13 |
15561 |
◊ |
B |
x-1/2,-y+5/2,-z+2 |
4_477 |
40 |
10 |
15576 |
404.0 |
-1.2 |
0.515 |
3 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
43 |
10 |
15561 |
◊ |
B |
x-1/2,-y+5/2,-z+3 |
4_478 |
49 |
13 |
15576 |
396.8 |
1.8 |
0.773 |
7 |
2 |
0 |
0.000 |
| 6 |
6 |
|
D |
45 |
15 |
15961 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
42 |
13 |
15561 |
392.6 |
5.4 |
0.901 |
1 |
4 |
0 |
0.000 |
| 7 |
7 |
|
C |
48 |
13 |
15245 |
◊ |
B |
x,y,z |
1_555 |
43 |
11 |
15576 |
392.3 |
-1.5 |
0.516 |
6 |
2 |
0 |
0.000 |
| 8 |
8 |
|
D |
40 |
13 |
15961 |
◊ |
D |
-x,-y+2,z |
2_575 |
41 |
13 |
15961 |
387.6 |
6.5 |
0.949 |
4 |
8 |
0 |
0.000 |
| 9 |
9 |
|
C |
41 |
11 |
15245 |
◊ |
B |
x,y,z-1 |
1_554 |
38 |
12 |
15576 |
369.3 |
-0.9 |
0.527 |
3 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[GH3]D:301 |
30 |
1 |
659 |
f |
D |
x,y,z |
1_555 |
47 |
17 |
15961 |
360.0 |
-2.3 |
0.511 |
10 |
0 |
0 |
0.073 |
| 11 |
11 |
|
[GH3]A:301 |
27 |
1 |
640 |
f |
A |
x,y,z |
1_555 |
42 |
17 |
15561 |
329.3 |
-0.4 |
0.601 |
11 |
0 |
0 |
0.110 |
12 |
|
[GH3]B:301 |
27 |
1 |
632 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
15576 |
327.6 |
-0.1 |
0.638 |
10 |
0 |
0 |
0.110 |
| Average: |
328.5 |
-0.3 |
0.619 |
11 |
0 |
0 |
0.110 |
| 12 |
13 |
|
[GH3]C:301 |
29 |
1 |
637 |
cf |
C |
x,y,z |
1_555 |
39 |
17 |
15245 |
315.9 |
0.5 |
0.615 |
10 |
0 |
0 |
0.043 |
| 13 |
14 |
|
A |
31 |
9 |
15561 |
x |
A |
x,y,z-1 |
1_554 |
34 |
9 |
15561 |
278.6 |
2.1 |
0.783 |
4 |
3 |
0 |
0.000 |
| 14 |
15 |
|
D |
23 |
9 |
15961 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
3_547 |
21 |
6 |
15561 |
239.4 |
0.3 |
0.543 |
5 |
2 |
0 |
0.000 |
| 15 |
16 |
|
D |
29 |
7 |
15961 |
◊ |
A |
x-1/2,-y+5/2,-z+3 |
4_478 |
28 |
7 |
15561 |
236.8 |
0.0 |
0.613 |
2 |
0 |
0 |
0.000 |
| 16 |
17 |
|
C |
34 |
12 |
15245 |
x |
C |
x,y,z-1 |
1_554 |
19 |
7 |
15245 |
222.0 |
4.1 |
0.908 |
2 |
4 |
0 |
0.000 |
| 17 |
18 |
|
A |
25 |
10 |
15561 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
10 |
15576 |
187.9 |
0.7 |
0.683 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
C |
18 |
3 |
15245 |
◊ |
C |
-x+1,-y+2,z |
2_675 |
18 |
3 |
15245 |
164.4 |
2.8 |
0.871 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
B |
18 |
7 |
15576 |
x |
B |
x,y,z-1 |
1_554 |
16 |
7 |
15576 |
135.9 |
2.5 |
0.858 |
2 |
2 |
0 |
0.000 |
| 20 |
21 |
|
C |
18 |
5 |
15245 |
◊ |
B |
-x+1,-y+2,z-1 |
2_674 |
12 |
4 |
15576 |
134.6 |
-1.4 |
0.370 |
1 |
0 |
0 |
0.000 |
| 21 |
22 |
|
B |
16 |
4 |
15576 |
◊ |
A |
x-1/2,-y+5/2,-z+3 |
4_478 |
14 |
4 |
15561 |
131.2 |
-0.6 |
0.396 |
0 |
1 |
0 |
0.000 |
| 22 |
23 |
|
A |
10 |
3 |
15561 |
x |
A |
x-1/2,-y+5/2,-z+3 |
4_478 |
11 |
4 |
15561 |
104.9 |
-1.8 |
0.161 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
A |
11 |
2 |
15561 |
◊ |
[GH3]B:301 |
x-1/2,-y+5/2,-z+3 |
4_478 |
10 |
1 |
632 |
99.9 |
-1.6 |
0.479 |
4 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[GH3]C:301 |
11 |
1 |
637 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
15576 |
92.9 |
-1.2 |
0.516 |
3 |
0 |
0 |
0.000 |
| 25 |
26 |
|
D |
14 |
8 |
15961 |
x |
D |
x,y,z-1 |
1_554 |
12 |
6 |
15961 |
79.6 |
0.8 |
0.707 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
D |
7 |
4 |
15961 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
15576 |
68.8 |
-0.9 |
0.385 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[MG]B:300 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
15576 |
50.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.196 |
29 |
|
[MG]A:300 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15561 |
50.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.196 |
| Average: |
50.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.196 |
| 28 |
30 |
|
[MG]D:300 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
15961 |
49.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.085 |
| 29 |
31 |
|
[MG]C:300 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
15245 |
44.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.086 |
| 30 |
32 |
|
A |
9 |
5 |
15561 |
x |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
5 |
2 |
15561 |
44.3 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
15561 |
40.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.121 |
34 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
15576 |
34.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.121 |
| Average: |
37.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.121 |
| 32 |
35 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
15961 |
36.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.054 |
| 33 |
36 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
15245 |
35.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.051 |
| 34 |
37 |
|
[MG]D:303 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
15961 |
34.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.055 |
| 35 |
38 |
|
[GH3]D:301 |
6 |
1 |
659 |
f |
[MG]D:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.089 |
39 |
|
[GH3]A:301 |
4 |
1 |
640 |
f |
[MG]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.089 |
40 |
|
[GH3]B:301 |
2 |
1 |
632 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.089 |
41 |
|
[GH3]C:301 |
5 |
1 |
637 |
f |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
28.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.089 |
| 36 |
42 |
|
[GH3]A:301 |
6 |
1 |
640 |
f |
[MG]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.095 |
43 |
|
[GH3]D:301 |
9 |
1 |
659 |
f |
[MG]D:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.095 |
44 |
|
[GH3]B:301 |
6 |
1 |
632 |
f |
[MG]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.095 |
45 |
|
[GH3]C:301 |
5 |
1 |
637 |
f |
[MG]C:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
31.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.095 |
| 37 |
46 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
15561 |
32.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.104 |
47 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
15576 |
29.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
30.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.104 |
| 38 |
48 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
15245 |
29.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.050 |
| 39 |
49 |
|
[MG]C:300 |
1 |
1 |
98 |
◊ |
B |
-x+1,-y+2,z |
2_675 |
3 |
2 |
15576 |
16.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
50 |
|
A |
2 |
1 |
15561 |
◊ |
[MG]B:302 |
x-1/2,-y+5/2,-z+3 |
4_478 |
1 |
1 |
98 |
13.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[MG]C:302 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15576 |
13.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
13.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
52 |
|
[MG]C:303 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15576 |
11.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
A |
1 |
1 |
15561 |
◊ |
[MG]B:303 |
x-1/2,-y+5/2,-z+3 |
4_478 |
1 |
1 |
98 |
11.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
11.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
54 |
|
D |
3 |
1 |
15961 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15561 |
11.7 |
-0.2 |
0.447 |
0 |
0 |
0 |
0.000 |
| 43 |
55 |
|
[MG]D:303 |
1 |
1 |
98 |
f |
[MG]D:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| 44 |
56 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
[MG]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| 45 |
57 |
|
[GH3]D:301 |
1 |
1 |
659 |
◊ |
[GH3]C:301 |
x,y,z |
1_555 |
1 |
1 |
637 |
8.2 |
-0.9 |
0.209 |
0 |
0 |
0 |
0.010 |
58 |
|
[GH3]B:301 |
1 |
1 |
632 |
◊ |
[GH3]A:301 |
x,y,z |
1_555 |
2 |
1 |
640 |
1.3 |
-0.1 |
0.343 |
0 |
0 |
0 |
0.010 |
| Average: |
4.8 |
-0.5 |
0.276 |
0 |
0 |
0 |
0.010 |
| 46 |
59 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.016 |
| 47 |
60 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
| 48 |
61 |
|
[MG]D:300 |
1 |
1 |
98 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
3_547 |
1 |
1 |
15561 |
4.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|