## |
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 |
83 |
25 |
15712 |
◊ |
C |
x,y,z |
1_555 |
77 |
26 |
15573 |
806.8 |
-10.1 |
0.041 |
7 |
1 |
0 |
0.016 |
2 |
|
B |
82 |
24 |
15792 |
◊ |
A |
x,y,z |
1_555 |
76 |
26 |
15375 |
772.1 |
-8.1 |
0.085 |
6 |
0 |
0 |
0.016 |
Average: |
789.4 |
-9.1 |
0.063 |
7 |
1 |
0 |
0.016 |
2 |
3 |
|
B |
57 |
14 |
15792 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
67 |
14 |
15573 |
564.7 |
-4.8 |
0.168 |
6 |
4 |
0 |
0.000 |
4 |
|
A |
64 |
13 |
15375 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
60 |
15 |
15712 |
561.1 |
-5.1 |
0.135 |
6 |
4 |
0 |
0.000 |
Average: |
562.9 |
-5.0 |
0.151 |
6 |
4 |
0 |
0.000 |
3 |
5 |
|
A |
47 |
15 |
15375 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
64 |
16 |
15573 |
489.2 |
1.3 |
0.679 |
11 |
8 |
0 |
0.000 |
4 |
6 |
|
B |
54 |
12 |
15792 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
14 |
15375 |
473.4 |
-3.1 |
0.234 |
6 |
3 |
0 |
0.000 |
5 |
7 |
|
[GCP]C:500 |
32 |
1 |
622 |
f |
C |
x,y,z |
1_555 |
57 |
23 |
15573 |
409.9 |
-3.6 |
0.439 |
9 |
0 |
0 |
0.025 |
8 |
|
[GCP]A:500 |
31 |
1 |
626 |
f |
A |
x,y,z |
1_555 |
57 |
24 |
15375 |
409.8 |
-3.2 |
0.445 |
9 |
0 |
0 |
0.025 |
9 |
|
[GCP]D:500 |
32 |
1 |
623 |
f |
D |
x,y,z |
1_555 |
59 |
24 |
15712 |
407.5 |
-3.4 |
0.453 |
9 |
0 |
0 |
0.025 |
10 |
|
[GCP]B:500 |
32 |
1 |
627 |
f |
B |
x,y,z |
1_555 |
60 |
24 |
15792 |
406.1 |
-3.4 |
0.457 |
8 |
0 |
0 |
0.025 |
Average: |
408.3 |
-3.4 |
0.449 |
9 |
0 |
0 |
0.025 |
6 |
11 |
|
B |
34 |
11 |
15792 |
◊ |
C |
x-1,y,z-1 |
1_454 |
41 |
11 |
15573 |
366.7 |
2.6 |
0.790 |
3 |
4 |
0 |
0.000 |
7 |
12 |
|
D |
37 |
10 |
15712 |
◊ |
C |
x,y,z-1 |
1_554 |
42 |
15 |
15573 |
305.5 |
1.3 |
0.716 |
2 |
0 |
0 |
0.000 |
8 |
13 |
|
C |
30 |
9 |
15573 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
15375 |
195.5 |
-1.3 |
0.404 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
A |
24 |
9 |
15375 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
24 |
9 |
15712 |
183.9 |
-0.1 |
0.504 |
2 |
1 |
0 |
0.000 |
15 |
|
B |
19 |
8 |
15792 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
8 |
15573 |
137.3 |
1.4 |
0.688 |
2 |
1 |
0 |
0.000 |
Average: |
160.6 |
0.7 |
0.596 |
2 |
1 |
0 |
0.000 |
10 |
16 |
|
[GOL]A:804 |
6 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
15375 |
116.5 |
0.2 |
0.591 |
5 |
0 |
0 |
0.005 |
17 |
|
[GOL]B:804 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
15792 |
115.4 |
0.2 |
0.592 |
4 |
0 |
0 |
0.005 |
Average: |
116.0 |
0.2 |
0.591 |
5 |
0 |
0 |
0.005 |
11 |
18 |
|
[GOL]D:804 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
15712 |
114.8 |
0.3 |
0.597 |
4 |
0 |
0 |
0.005 |
12 |
19 |
|
[GOL]C:804 |
6 |
1 |
225 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
15573 |
112.9 |
0.8 |
0.670 |
4 |
0 |
0 |
0.002 |
13 |
20 |
|
D |
11 |
5 |
15712 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
15375 |
104.3 |
2.3 |
0.884 |
4 |
2 |
0 |
0.000 |
14 |
21 |
|
[GOL]C:805 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
15573 |
101.6 |
-1.3 |
0.298 |
1 |
0 |
0 |
0.004 |
15 |
22 |
|
D |
9 |
3 |
15712 |
x |
D |
-x+2,y-1/2,-z+1 |
2_746 |
12 |
3 |
15712 |
89.3 |
-1.1 |
0.327 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[CL]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
15792 |
69.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.026 |
24 |
|
[CL]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15375 |
69.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.026 |
25 |
|
[CL]C:802 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
15573 |
67.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
68.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.026 |
17 |
26 |
|
[GOL]A:806 |
6 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
15375 |
69.1 |
-0.5 |
0.486 |
2 |
0 |
0 |
0.003 |
18 |
27 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
15573 |
37.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.015 |
28 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15375 |
35.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.015 |
29 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
15792 |
35.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.015 |
30 |
|
[MG]D:702 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
15712 |
34.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
35.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.015 |
19 |
31 |
|
[MG]A:700 |
1 |
1 |
98 |
f |
[GCP]A:500 |
x,y,z |
1_555 |
6 |
1 |
626 |
35.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.017 |
32 |
|
[MG]B:700 |
1 |
1 |
98 |
f |
[GCP]B:500 |
x,y,z |
1_555 |
6 |
1 |
627 |
35.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.017 |
33 |
|
[MG]D:700 |
1 |
1 |
98 |
f |
[GCP]D:500 |
x,y,z |
1_555 |
6 |
1 |
623 |
35.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.017 |
34 |
|
[MG]C:700 |
1 |
1 |
98 |
f |
[GCP]C:500 |
x,y,z |
1_555 |
6 |
1 |
622 |
35.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
35.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.017 |
20 |
35 |
|
[GOL]A:806 |
3 |
1 |
223 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
15792 |
34.7 |
-0.9 |
0.335 |
0 |
0 |
0 |
0.000 |
21 |
36 |
|
[MG]D:702 |
1 |
1 |
98 |
f |
[GCP]D:500 |
x,y,z |
1_555 |
4 |
1 |
623 |
34.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.016 |
37 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
[GCP]B:500 |
x,y,z |
1_555 |
6 |
1 |
627 |
34.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.016 |
38 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[GCP]A:500 |
x,y,z |
1_555 |
5 |
1 |
626 |
34.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.016 |
39 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[GCP]C:500 |
x,y,z |
1_555 |
6 |
1 |
622 |
33.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
34.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.016 |
22 |
40 |
|
[MG]C:800 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
15573 |
32.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.007 |
23 |
41 |
|
[MG]C:700 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
15573 |
30.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.014 |
42 |
|
[MG]D:700 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
15712 |
30.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.014 |
43 |
|
[MG]A:700 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15375 |
30.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.014 |
44 |
|
[MG]B:700 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15792 |
30.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
30.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.014 |
24 |
45 |
|
B |
4 |
2 |
15792 |
◊ |
[CL]C:802 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
125 |
25.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
|
[CL]A:802 |
1 |
1 |
125 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
15712 |
20.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[CL]B:802 |
1 |
1 |
125 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
15375 |
16.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
20.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
48 |
|
B |
6 |
3 |
15792 |
◊ |
[MG]C:800 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
22.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
49 |
|
B |
2 |
1 |
15792 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
15792 |
16.5 |
0.3 |
0.709 |
0 |
0 |
0 |
0.000 |
27 |
50 |
|
C |
3 |
1 |
15573 |
x |
C |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
1 |
15573 |
11.0 |
0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
28 |
51 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[MG]A:700 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.005 |
29 |
52 |
|
B |
1 |
1 |
15792 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
15712 |
10.4 |
-0.2 |
0.306 |
0 |
0 |
0 |
0.000 |
30 |
53 |
|
[MG]D:702 |
1 |
1 |
98 |
f |
[MG]D:700 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.007 |
31 |
54 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[MG]C:700 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.005 |
32 |
55 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
[MG]B:700 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.005 |
33 |
56 |
|
B |
5 |
2 |
15792 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
2 |
15375 |
9.0 |
0.1 |
0.642 |
0 |
0 |
0 |
0.000 |
34 |
57 |
|
D |
2 |
2 |
15712 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
15792 |
1.5 |
0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
|