| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
C |
189 |
54 |
4924 |
◊ |
B |
x,y,z |
1_555 |
205 |
52 |
36086 |
1954.7 |
-26.5 |
0.050 |
34 |
10 |
0 |
0.445 |
2 |
|
B |
186 |
54 |
36086 |
◊ |
A |
x,y,z |
1_555 |
200 |
50 |
8831 |
1793.0 |
-21.3 |
0.054 |
23 |
3 |
0 |
0.323 |
3 |
|
[COA]A:201 |
44 |
1 |
938 |
f |
A |
x,y,z |
1_555 |
74 |
26 |
8831 |
545.6 |
0.0 |
0.439 |
12 |
0 |
0 |
0.244 |
4 |
|
A |
47 |
12 |
8831 |
◊ |
B |
x-1,y,z |
1_455 |
46 |
15 |
36086 |
467.4 |
-2.6 |
0.432 |
5 |
4 |
0 |
0.000 |
5 |
|
B |
54 |
19 |
36086 |
x |
B |
x-1,y,z |
1_455 |
52 |
18 |
36086 |
460.3 |
0.8 |
0.624 |
6 |
2 |
0 |
0.000 |
6 |
|
D |
34 |
4 |
1008 |
◊ |
A |
x,y,z |
1_555 |
66 |
23 |
8831 |
440.8 |
-6.2 |
0.498 |
7 |
0 |
0 |
0.428 |
7 |
|
B |
31 |
9 |
36086 |
x |
B |
-x+1/2,-y,z-1/2 |
2_554 |
51 |
14 |
36086 |
435.5 |
-10.2 |
0.004 |
1 |
0 |
0 |
0.000 |
8 |
|
C |
34 |
11 |
4924 |
◊ |
A |
x,y,z |
1_555 |
26 |
7 |
8831 |
269.8 |
-2.8 |
0.393 |
4 |
2 |
0 |
0.033 |
9 |
|
B |
28 |
12 |
36086 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
36 |
11 |
36086 |
246.9 |
-0.2 |
0.617 |
3 |
2 |
0 |
0.000 |
10 |
|
A |
24 |
8 |
8831 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
25 |
6 |
36086 |
222.1 |
-2.8 |
0.263 |
0 |
0 |
0 |
0.000 |
11 |
|
D |
17 |
4 |
1008 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
36086 |
201.5 |
-3.5 |
0.502 |
1 |
0 |
0 |
0.035 |
12 |
|
B |
20 |
10 |
36086 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
8 |
8831 |
192.7 |
2.5 |
0.857 |
3 |
2 |
0 |
0.000 |
13 |
|
B |
22 |
4 |
36086 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
7 |
36086 |
188.6 |
0.9 |
0.705 |
2 |
2 |
0 |
0.000 |
14 |
|
B |
14 |
4 |
36086 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
3 |
8831 |
125.5 |
0.4 |
0.687 |
1 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:814 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
36086 |
113.2 |
3.8 |
0.496 |
2 |
0 |
0 |
0.000 |
16 |
|
B |
15 |
7 |
36086 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
14 |
3 |
36086 |
112.4 |
-1.2 |
0.351 |
3 |
0 |
0 |
0.000 |
17 |
|
[IOD]B:806 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
36086 |
108.8 |
-0.5 |
0.688 |
0 |
0 |
0 |
0.006 |
18 |
|
[EDO]B:817 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
36086 |
107.3 |
3.7 |
0.536 |
5 |
0 |
0 |
0.000 |
19 |
|
[EDO]B:815 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
36086 |
102.8 |
2.2 |
0.395 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:818 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
36086 |
101.9 |
3.3 |
0.472 |
1 |
0 |
0 |
0.000 |
21 |
|
[IOD]B:804 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
36086 |
94.9 |
-0.3 |
0.718 |
0 |
0 |
0 |
0.003 |
22 |
|
[CL]B:812 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
36086 |
91.1 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.135 |
23 |
|
[IOD]B:803 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
36086 |
87.2 |
-0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
24 |
|
[CL]B:811 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
36086 |
86.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.130 |
25 |
|
[IOD]B:808 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
36086 |
82.3 |
-0.5 |
0.656 |
0 |
0 |
0 |
0.005 |
26 |
|
[CL]B:813 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
36086 |
79.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.115 |
27 |
|
[IOD]B:807 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
36086 |
78.6 |
-0.4 |
0.670 |
0 |
0 |
0 |
0.004 |
28 |
|
[CL]B:810 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
36086 |
78.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.121 |
29 |
|
[IOD]B:802 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
36086 |
76.4 |
-0.1 |
0.734 |
0 |
0 |
0 |
0.001 |
30 |
|
[EDO]B:816 |
4 |
1 |
186 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
4 |
36086 |
75.3 |
1.8 |
0.242 |
0 |
0 |
0 |
0.000 |
31 |
|
[IOD]B:805 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
36086 |
73.6 |
-0.0 |
0.769 |
0 |
0 |
0 |
0.000 |
32 |
|
[CL]B:809 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
36086 |
73.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.104 |
33 |
|
[IOD]B:801 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
36086 |
72.3 |
0.2 |
0.809 |
0 |
0 |
0 |
0.000 |
34 |
|
[IOD]C:101 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
4924 |
70.4 |
-0.3 |
0.717 |
0 |
0 |
0 |
0.100 |
35 |
|
[IOD]C:102 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
4924 |
65.2 |
0.2 |
0.830 |
0 |
0 |
0 |
0.000 |
36 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8831 |
57.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.343 |
37 |
|
[COA]A:201 |
6 |
1 |
938 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
1008 |
53.6 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.006 |
38 |
|
[IOD]C:102 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
36086 |
53.2 |
-0.7 |
0.411 |
0 |
0 |
0 |
0.007 |
39 |
|
[IOD]B:801 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8831 |
43.9 |
-0.1 |
0.728 |
0 |
0 |
0 |
0.003 |
40 |
|
[EDO]B:815 |
3 |
1 |
185 |
f |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
2 |
8831 |
42.5 |
1.0 |
0.787 |
1 |
0 |
0 |
0.000 |
41 |
|
[IOD]B:805 |
1 |
1 |
144 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
36086 |
41.3 |
0.1 |
0.804 |
0 |
0 |
0 |
0.000 |
42 |
|
[IOD]C:101 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
36086 |
30.1 |
0.2 |
0.877 |
0 |
0 |
0 |
0.000 |
43 |
|
B |
8 |
6 |
36086 |
x |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
9 |
7 |
36086 |
27.9 |
0.5 |
0.689 |
0 |
0 |
0 |
0.000 |
44 |
|
B |
2 |
1 |
36086 |
◊ |
[CL]A:202 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
125 |
22.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]B:816 |
2 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
36086 |
21.1 |
-0.1 |
0.534 |
0 |
0 |
0 |
0.000 |
46 |
|
B |
3 |
2 |
36086 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
2 |
36086 |
16.0 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
47 |
|
[CL]B:813 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8831 |
6.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
48 |
|
B |
1 |
1 |
36086 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
4924 |
1.2 |
0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
49 |
|
[COA]A:201 |
1 |
1 |
938 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
36086 |
0.7 |
-0.0 |
0.474 |
0 |
0 |
0 |
0.000 |
|