## |
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 |
|
B |
83 |
24 |
13927 |
◊ |
A |
x,y,z |
1_555 |
93 |
29 |
14603 |
834.6 |
-4.8 |
0.308 |
8 |
4 |
0 |
0.127 |
2 |
|
A |
86 |
32 |
14603 |
◊ |
A |
y,x,-z |
4_555 |
86 |
33 |
14603 |
822.8 |
1.2 |
0.681 |
8 |
4 |
0 |
0.000 |
3 |
|
B |
89 |
23 |
13927 |
◊ |
A |
y-1,x,-z |
4_455 |
85 |
21 |
14603 |
762.4 |
2.4 |
0.772 |
11 |
2 |
0 |
0.000 |
4 |
|
B |
80 |
25 |
13927 |
◊ |
A |
x-y,-y+1,-z+1/3 |
5_565 |
75 |
22 |
14603 |
673.7 |
-2.0 |
0.501 |
6 |
0 |
0 |
0.000 |
5 |
|
[EDO]B:413 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
13927 |
111.6 |
3.5 |
0.460 |
2 |
0 |
0 |
0.000 |
6 |
|
[EDO]A:414 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
14603 |
111.3 |
3.8 |
0.509 |
2 |
0 |
0 |
0.000 |
7 |
|
[EDO]B:421 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
13927 |
111.0 |
2.8 |
0.425 |
2 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:411 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
14603 |
110.6 |
3.3 |
0.449 |
2 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:412 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
14603 |
106.0 |
2.8 |
0.483 |
1 |
0 |
0 |
0.000 |
10 |
|
[EDO]B:415 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13927 |
103.2 |
3.8 |
0.488 |
1 |
0 |
0 |
0.000 |
11 |
|
[SO4]A:405 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
14603 |
100.9 |
-13.9 |
0.834 |
3 |
0 |
0 |
0.217 |
12 |
|
[SO4]B:402 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
13927 |
99.7 |
-13.7 |
0.862 |
2 |
0 |
0 |
0.207 |
13 |
|
[EDO]A:424 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14603 |
77.9 |
1.5 |
0.670 |
1 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:416 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
14603 |
77.6 |
1.5 |
0.230 |
3 |
0 |
0 |
0.000 |
15 |
|
[SO4]A:404 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14603 |
76.9 |
-9.6 |
0.844 |
2 |
0 |
0 |
0.149 |
16 |
|
B |
12 |
4 |
13927 |
◊ |
[EDO]A:416 |
x-y,-y+1,-z+1/3 |
5_565 |
4 |
1 |
185 |
76.0 |
1.8 |
0.392 |
0 |
0 |
0 |
0.000 |
17 |
|
[SO4]B:403 |
5 |
1 |
185 |
f |
A |
x-y,-y+1,-z+1/3 |
5_565 |
9 |
5 |
14603 |
75.4 |
-11.5 |
0.534 |
2 |
0 |
0 |
0.176 |
18 |
|
[EDO]A:422 |
4 |
1 |
185 |
◊ |
A |
y,x,-z |
4_555 |
10 |
3 |
14603 |
73.1 |
1.9 |
0.248 |
1 |
0 |
0 |
0.000 |
19 |
|
B |
14 |
6 |
13927 |
◊ |
[EDO]A:408 |
y-1,x,-z |
4_455 |
4 |
1 |
185 |
72.8 |
2.6 |
0.898 |
2 |
0 |
0 |
0.000 |
20 |
|
[SO4]B:407 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
13927 |
71.8 |
-10.0 |
0.559 |
1 |
0 |
0 |
0.148 |
21 |
|
[EDO]A:419 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
14603 |
71.7 |
2.6 |
0.300 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:423 |
4 |
1 |
185 |
◊ |
A |
y,x,-z |
4_555 |
14 |
5 |
14603 |
71.0 |
1.8 |
0.274 |
2 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:429 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14603 |
70.4 |
1.3 |
0.722 |
2 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:410 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
14603 |
70.1 |
2.7 |
0.929 |
4 |
0 |
0 |
0.000 |
25 |
|
[EDO]B:427 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13927 |
69.9 |
1.2 |
0.676 |
2 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:420 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
13927 |
67.3 |
1.4 |
0.255 |
2 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:429 |
3 |
1 |
185 |
◊ |
A |
y,x,-z |
4_555 |
9 |
3 |
14603 |
65.7 |
2.0 |
0.247 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]B:420 |
3 |
1 |
184 |
◊ |
A |
x-y,-y+1,-z+1/3 |
5_565 |
11 |
4 |
14603 |
64.8 |
1.7 |
0.498 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:426 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
14603 |
64.2 |
0.8 |
0.510 |
2 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:408 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
14603 |
63.4 |
1.2 |
0.797 |
1 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:423 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
14603 |
63.3 |
1.2 |
0.669 |
1 |
0 |
0 |
0.000 |
32 |
|
[SO4]B:406 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14603 |
63.1 |
-9.2 |
0.704 |
2 |
0 |
0 |
0.144 |
33 |
|
[SO4]B:406 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
13927 |
62.1 |
-7.1 |
0.942 |
3 |
0 |
0 |
0.119 |
34 |
|
[EDO]B:428 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
13927 |
61.9 |
0.7 |
0.522 |
3 |
0 |
0 |
0.008 |
35 |
|
[EDO]B:418 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13927 |
60.0 |
2.3 |
0.922 |
1 |
0 |
0 |
0.000 |
36 |
|
[EDO]B:409 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13927 |
59.3 |
1.3 |
0.606 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:422 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
14603 |
58.7 |
2.1 |
0.311 |
1 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:425 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14603 |
58.3 |
0.9 |
0.601 |
1 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:417 |
4 |
1 |
184 |
◊ |
A |
y,x,-z |
4_555 |
5 |
2 |
14603 |
48.9 |
2.0 |
0.911 |
0 |
0 |
0 |
0.000 |
40 |
|
[CL]A:430 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14603 |
43.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.079 |
41 |
|
[SO4]B:403 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
13927 |
40.8 |
-4.6 |
0.809 |
0 |
0 |
0 |
0.000 |
42 |
|
[EDO]B:428 |
3 |
1 |
184 |
◊ |
A |
x-y,-y+1,-z+1/3 |
5_565 |
5 |
2 |
14603 |
38.7 |
1.6 |
0.883 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:412 |
4 |
1 |
185 |
◊ |
A |
y,x,-z |
4_555 |
4 |
2 |
14603 |
38.6 |
1.4 |
0.956 |
2 |
0 |
0 |
0.000 |
44 |
|
[EDO]A:417 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
14603 |
38.3 |
1.6 |
0.969 |
1 |
0 |
0 |
0.000 |
45 |
|
[SO4]A:404 |
4 |
1 |
185 |
◊ |
A |
y,x,-z |
4_555 |
3 |
1 |
14603 |
32.6 |
-3.2 |
0.922 |
1 |
0 |
0 |
0.000 |
46 |
|
[EDO]B:420 |
3 |
1 |
184 |
◊ |
[SO4]B:403 |
x,y,z |
1_555 |
3 |
1 |
185 |
32.6 |
-3.5 |
0.996 |
1 |
0 |
0 |
0.000 |
47 |
|
[CL]A:430 |
1 |
1 |
125 |
◊ |
A |
y,x,-z |
4_555 |
3 |
1 |
14603 |
32.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[EDO]A:412 |
4 |
1 |
185 |
◊ |
[EDO]A:411 |
x,y,z |
1_555 |
4 |
1 |
184 |
31.0 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[EDO]A:425 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
13927 |
25.9 |
1.5 |
0.970 |
1 |
0 |
0 |
0.000 |
50 |
|
[EDO]A:423 |
2 |
1 |
185 |
◊ |
[EDO]A:422 |
y,x,-z |
4_555 |
2 |
1 |
185 |
22.4 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
|
B |
2 |
1 |
13927 |
x |
B |
x-y,-y+1,-z+1/3 |
5_565 |
1 |
1 |
13927 |
18.9 |
0.5 |
0.873 |
0 |
0 |
0 |
0.000 |
52 |
|
[CL]A:430 |
1 |
1 |
125 |
f |
[EDO]A:423 |
x,y,z |
1_555 |
2 |
1 |
185 |
14.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.020 |
53 |
|
B |
3 |
2 |
13927 |
◊ |
[EDO]A:426 |
x-y,-y+1,-z+1/3 |
5_565 |
2 |
1 |
185 |
14.5 |
0.3 |
0.731 |
0 |
0 |
0 |
0.000 |
54 |
|
B |
1 |
1 |
13927 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
14603 |
5.1 |
0.2 |
0.829 |
0 |
0 |
0 |
0.000 |
55 |
|
B |
1 |
1 |
13927 |
◊ |
[EDO]A:426 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
5.0 |
0.1 |
0.574 |
0 |
0 |
0 |
0.000 |
56 |
|
[EDO]A:410 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
13927 |
4.4 |
0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
57 |
|
[EDO]A:411 |
1 |
1 |
184 |
f |
A |
y,x,-z |
4_555 |
2 |
1 |
14603 |
3.8 |
0.1 |
0.840 |
0 |
0 |
0 |
0.000 |
58 |
|
[EDO]A:417 |
1 |
1 |
184 |
◊ |
[SO4]A:405 |
y,x,-z |
4_555 |
2 |
1 |
184 |
3.3 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
|