## |
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 |
154 |
20 |
5806 |
◊ |
A |
x,y,z |
1_555 |
169 |
55 |
15250 |
1441.7 |
-18.0 |
0.606 |
26 |
0 |
0 |
0.522 |
2 |
|
B |
134 |
20 |
5732 |
◊ |
A |
x,y,z |
1_555 |
167 |
59 |
15250 |
1380.0 |
-15.6 |
0.451 |
18 |
0 |
0 |
0.473 |
3 |
|
C |
136 |
25 |
5806 |
◊ |
B |
x,y,z |
1_555 |
129 |
25 |
5732 |
1215.0 |
-11.9 |
0.817 |
59 |
0 |
0 |
1.000 |
4 |
|
A |
49 |
15 |
15250 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
57 |
16 |
15250 |
498.3 |
-1.0 |
0.616 |
6 |
2 |
0 |
0.000 |
5 |
|
A |
30 |
13 |
15250 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
30 |
6 |
15250 |
253.7 |
-1.4 |
0.501 |
1 |
0 |
0 |
0.000 |
6 |
|
C |
20 |
2 |
5806 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
7 |
15250 |
163.9 |
-0.4 |
0.539 |
0 |
0 |
0 |
0.000 |
7 |
|
A |
22 |
8 |
15250 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
17 |
2 |
5732 |
143.8 |
-0.6 |
0.358 |
1 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:405 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
15250 |
110.4 |
2.9 |
0.450 |
4 |
0 |
0 |
0.000 |
9 |
|
A |
15 |
7 |
15250 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
3 |
15250 |
103.8 |
0.5 |
0.696 |
2 |
1 |
0 |
0.000 |
10 |
|
A |
15 |
6 |
15250 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
1 |
5806 |
100.7 |
-0.1 |
0.390 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
14 |
5 |
15250 |
◊ |
[EDO]A:406 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
184 |
76.2 |
1.5 |
0.229 |
0 |
0 |
0 |
0.000 |
12 |
|
[EDO]B:101 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
5732 |
74.2 |
2.6 |
0.314 |
3 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:406 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
15250 |
73.3 |
1.6 |
0.251 |
2 |
0 |
0 |
0.000 |
14 |
|
[EDO]B:101 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
5806 |
71.9 |
2.2 |
0.513 |
2 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:404 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
15250 |
67.5 |
2.0 |
0.285 |
0 |
0 |
0 |
0.000 |
16 |
|
[EDO]B:102 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
5806 |
67.1 |
2.7 |
0.313 |
1 |
0 |
0 |
0.000 |
17 |
|
A |
8 |
5 |
15250 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
9 |
3 |
5806 |
67.0 |
-2.5 |
0.363 |
0 |
0 |
0 |
0.000 |
18 |
|
[EDO]C:101 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
5806 |
61.8 |
2.3 |
0.903 |
0 |
0 |
0 |
0.000 |
19 |
|
A |
10 |
4 |
15250 |
f |
[EDO]C:102 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
184 |
61.0 |
0.7 |
0.560 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]C:102 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
5806 |
59.4 |
1.7 |
0.800 |
2 |
0 |
0 |
0.000 |
21 |
|
A |
9 |
3 |
15250 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
1 |
5732 |
58.8 |
0.3 |
0.640 |
1 |
0 |
0 |
0.000 |
22 |
|
A |
7 |
3 |
15250 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
6 |
3 |
5732 |
58.1 |
-0.5 |
0.520 |
1 |
0 |
0 |
0.000 |
23 |
|
[EDO]C:101 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
5732 |
50.7 |
2.0 |
0.877 |
1 |
0 |
0 |
0.000 |
24 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15250 |
47.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.207 |
25 |
|
[EDO]A:404 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
5732 |
46.1 |
0.9 |
0.789 |
2 |
0 |
0 |
0.000 |
26 |
|
A |
4 |
1 |
15250 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
9 |
2 |
5806 |
44.9 |
-0.6 |
0.605 |
0 |
0 |
0 |
0.000 |
27 |
|
[EDO]B:102 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
5732 |
43.7 |
0.9 |
0.779 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:404 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
5806 |
38.8 |
0.2 |
0.659 |
1 |
0 |
0 |
0.100 |
29 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
15250 |
25.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.111 |
30 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15250 |
25.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.102 |
31 |
|
[CA]A:401 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
5806 |
23.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.078 |
32 |
|
A |
3 |
2 |
15250 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
5732 |
22.7 |
-1.1 |
0.390 |
0 |
0 |
0 |
0.000 |
33 |
|
[CA]A:402 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
5732 |
20.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.080 |
34 |
|
[CA]A:402 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
5806 |
20.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.071 |
35 |
|
[EDO]C:102 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5732 |
18.8 |
0.6 |
0.896 |
0 |
0 |
0 |
0.000 |
36 |
|
[CA]A:401 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
5732 |
17.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.050 |
37 |
|
C |
1 |
1 |
5806 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
2 |
5732 |
11.2 |
-1.0 |
0.266 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
2 |
1 |
15250 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
5806 |
10.6 |
-0.2 |
0.589 |
0 |
0 |
0 |
0.000 |
39 |
|
[CA]A:403 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5732 |
9.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.036 |
40 |
|
B |
3 |
2 |
5732 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
15250 |
9.1 |
-0.6 |
0.392 |
0 |
0 |
0 |
0.000 |
41 |
|
C |
1 |
1 |
5806 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
15250 |
8.3 |
-0.1 |
0.407 |
0 |
0 |
0 |
0.000 |
42 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.040 |
43 |
|
C |
1 |
1 |
5806 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
5806 |
6.6 |
-0.7 |
0.187 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]B:101 |
2 |
1 |
187 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.013 |
45 |
|
[EDO]B:101 |
1 |
1 |
187 |
f |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
46 |
|
[EDO]B:101 |
1 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
15250 |
0.3 |
0.0 |
0.830 |
0 |
0 |
0 |
0.000 |
|