## |
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 |
229 |
52 |
7278 |
◊ |
A |
x,y,z |
1_555 |
224 |
52 |
7336 |
2065.9 |
-18.9 |
0.147 |
41 |
3 |
0 |
0.438 |
2 |
|
B |
34 |
9 |
7278 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
39 |
13 |
7336 |
284.3 |
-0.4 |
0.599 |
6 |
0 |
0 |
0.000 |
3 |
|
B |
28 |
9 |
7278 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
28 |
8 |
7336 |
250.9 |
0.5 |
0.662 |
3 |
0 |
0 |
0.000 |
4 |
|
A |
28 |
10 |
7336 |
x |
A |
x-1/2,-y+3/2,-z |
4_465 |
24 |
9 |
7336 |
227.3 |
-3.2 |
0.237 |
2 |
0 |
0 |
0.000 |
5 |
|
[NAG]B:122 |
14 |
1 |
366 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
7278 |
142.6 |
1.8 |
0.247 |
1 |
0 |
0 |
0.000 |
6 |
|
B |
10 |
4 |
7278 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
15 |
8 |
7278 |
121.9 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
17 |
7 |
7278 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
4 |
7336 |
118.2 |
-1.8 |
0.329 |
1 |
0 |
0 |
0.004 |
8 |
|
[EDO]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
7278 |
109.4 |
3.9 |
0.662 |
4 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
7336 |
107.5 |
3.7 |
0.622 |
3 |
0 |
0 |
0.000 |
10 |
|
[EDO]A:316 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
16 |
10 |
7336 |
105.0 |
3.0 |
0.435 |
3 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:303 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
7336 |
104.6 |
3.3 |
0.452 |
2 |
0 |
0 |
0.000 |
12 |
|
[EDO]B:318 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
7278 |
102.1 |
3.2 |
0.411 |
4 |
0 |
0 |
0.000 |
13 |
|
[EDO]B:313 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
7278 |
100.7 |
3.6 |
0.510 |
1 |
0 |
0 |
0.000 |
14 |
|
[EDO]B:309 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
7278 |
96.4 |
3.3 |
0.541 |
1 |
0 |
0 |
0.000 |
15 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
7278 |
95.7 |
-14.8 |
0.790 |
3 |
0 |
0 |
0.189 |
16 |
|
[EDO]A:320 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
7336 |
93.5 |
2.2 |
0.399 |
1 |
0 |
0 |
0.000 |
17 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7336 |
89.0 |
-13.4 |
0.762 |
4 |
0 |
0 |
0.177 |
18 |
|
[EDO]A:311 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7336 |
87.6 |
2.6 |
0.290 |
4 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:310 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
7336 |
87.2 |
2.9 |
0.428 |
3 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:317 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
7278 |
83.7 |
2.3 |
0.273 |
3 |
0 |
0 |
0.000 |
21 |
|
[EDO]B:319 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
7278 |
82.4 |
2.5 |
0.297 |
3 |
0 |
0 |
0.000 |
22 |
|
[SO4]B:203 |
5 |
1 |
186 |
f |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
6 |
7336 |
79.0 |
-10.0 |
0.845 |
3 |
0 |
0 |
0.132 |
23 |
|
[EDO]A:315 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
7336 |
78.2 |
2.5 |
0.406 |
3 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:308 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
7336 |
78.1 |
1.9 |
0.240 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:308 |
4 |
1 |
184 |
f |
A |
x-1/2,-y+3/2,-z |
4_465 |
10 |
5 |
7336 |
77.5 |
1.2 |
0.166 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:307 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
7336 |
76.5 |
2.0 |
0.274 |
3 |
0 |
0 |
0.000 |
27 |
|
[EDO]B:319 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
7336 |
76.0 |
2.0 |
0.893 |
2 |
0 |
0 |
0.000 |
28 |
|
[EDO]B:321 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
7278 |
71.8 |
2.3 |
0.298 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:302 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
7336 |
70.6 |
2.2 |
0.510 |
2 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:302 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
7278 |
70.1 |
2.3 |
0.518 |
2 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:312 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
7336 |
69.9 |
1.5 |
0.156 |
1 |
0 |
0 |
0.000 |
32 |
|
A |
11 |
5 |
7336 |
x |
A |
x-1,y,z |
1_455 |
7 |
4 |
7336 |
68.5 |
0.7 |
0.741 |
1 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:307 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
7278 |
66.3 |
0.7 |
0.541 |
1 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:314 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
7336 |
65.2 |
2.0 |
0.855 |
1 |
0 |
0 |
0.000 |
35 |
|
[EDO]A:305 |
4 |
1 |
179 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
7336 |
63.6 |
1.8 |
0.306 |
4 |
0 |
0 |
0.000 |
36 |
|
B |
7 |
3 |
7278 |
◊ |
[NAG]B:122 |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
366 |
62.8 |
1.5 |
0.400 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
10 |
5 |
7278 |
x |
B |
x-1,y,z |
1_455 |
4 |
1 |
7278 |
60.3 |
-0.7 |
0.360 |
2 |
0 |
0 |
0.000 |
38 |
|
[ACE]B:0 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
7336 |
59.9 |
-0.8 |
0.698 |
0 |
0 |
0 |
0.009 |
39 |
|
[EDO]B:306 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
7278 |
59.8 |
1.6 |
0.801 |
0 |
0 |
0 |
0.000 |
40 |
|
[SO4]B:205 |
4 |
1 |
186 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
4 |
7278 |
59.7 |
-7.2 |
0.925 |
3 |
0 |
0 |
0.099 |
41 |
|
[ACE]A:0 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
7278 |
58.0 |
-1.2 |
0.643 |
0 |
0 |
0 |
0.013 |
42 |
|
B |
9 |
3 |
7278 |
f |
[SO4]A:204 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
57.7 |
-7.4 |
0.848 |
1 |
0 |
0 |
0.092 |
43 |
|
B |
14 |
6 |
7278 |
◊ |
[ACE]B:0 |
x-1,y,z |
1_455 |
3 |
1 |
171 |
56.3 |
-1.3 |
0.508 |
0 |
0 |
0 |
0.000 |
44 |
|
[SO4]A:204 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7336 |
53.5 |
-6.0 |
0.789 |
2 |
0 |
0 |
0.012 |
45 |
|
[EDO]B:306 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7336 |
51.6 |
1.6 |
0.893 |
2 |
0 |
0 |
0.000 |
46 |
|
[ACE]A:0 |
3 |
1 |
172 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
3 |
7336 |
51.1 |
-1.2 |
0.426 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
4 |
1 |
7336 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
3 |
7336 |
50.3 |
-0.7 |
0.368 |
0 |
0 |
0 |
0.000 |
48 |
|
[EDO]B:309 |
4 |
1 |
184 |
f |
A |
x-1/2,-y+3/2,-z |
4_465 |
7 |
3 |
7336 |
48.4 |
1.5 |
0.783 |
0 |
0 |
0 |
0.000 |
49 |
|
[SO4]B:203 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
7278 |
47.5 |
-5.9 |
0.936 |
2 |
0 |
0 |
0.000 |
50 |
|
[ACE]A:0 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
5 |
2 |
7336 |
47.4 |
-0.0 |
0.833 |
1 |
0 |
0 |
0.005 |
51 |
|
[SO4]B:205 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
7278 |
47.0 |
-5.9 |
0.641 |
0 |
0 |
0 |
0.000 |
52 |
|
[EDO]A:305 |
4 |
1 |
179 |
◊ |
B |
x,y,z |
1_555 |
8 |
6 |
7278 |
45.2 |
1.6 |
0.207 |
0 |
0 |
0 |
0.000 |
53 |
|
[ACE]B:0 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
7278 |
43.3 |
-0.1 |
0.827 |
0 |
0 |
0 |
0.001 |
54 |
|
[EDO]B:321 |
2 |
1 |
184 |
◊ |
[EDO]A:312 |
x-1/2,-y+3/2,-z |
4_465 |
4 |
1 |
185 |
37.0 |
1.6 |
1.000 |
1 |
0 |
0 |
0.000 |
55 |
|
[EDO]A:316 |
2 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
7278 |
35.8 |
0.0 |
0.545 |
0 |
0 |
0 |
0.000 |
56 |
|
[EDO]A:307 |
3 |
1 |
187 |
◊ |
[EDO]A:305 |
x,y,z |
1_555 |
4 |
1 |
179 |
34.2 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
57 |
|
[EDO]A:315 |
3 |
1 |
183 |
f |
[EDO]A:312 |
x,y,z |
1_555 |
3 |
1 |
185 |
34.2 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
58 |
|
[SO4]A:202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7278 |
30.7 |
-3.8 |
0.630 |
1 |
0 |
0 |
0.050 |
59 |
|
[EDO]A:315 |
4 |
1 |
183 |
◊ |
[EDO]A:311 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.6 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
60 |
|
[EDO]A:314 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
7278 |
25.4 |
0.8 |
0.882 |
0 |
0 |
0 |
0.000 |
61 |
|
B |
4 |
1 |
7278 |
f |
[EDO]A:312 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
185 |
24.7 |
0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
62 |
|
[SO4]B:201 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
7336 |
24.2 |
-3.0 |
0.640 |
0 |
0 |
0 |
0.035 |
63 |
|
[EDO]A:320 |
2 |
1 |
185 |
f |
[EDO]A:303 |
x,y,z |
1_555 |
3 |
1 |
184 |
23.7 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
64 |
|
B |
4 |
2 |
7278 |
f |
[EDO]A:310 |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
184 |
22.3 |
0.5 |
0.684 |
0 |
0 |
0 |
0.000 |
65 |
|
B |
2 |
1 |
7278 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
7336 |
20.6 |
0.2 |
0.571 |
0 |
0 |
0 |
0.000 |
66 |
|
[EDO]B:321 |
2 |
1 |
184 |
f |
A |
x-1/2,-y+3/2,-z |
4_465 |
4 |
1 |
7336 |
19.9 |
0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
67 |
|
[EDO]B:313 |
3 |
1 |
185 |
f |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
2 |
7336 |
18.9 |
0.4 |
0.798 |
0 |
0 |
0 |
0.000 |
68 |
|
[EDO]A:305 |
2 |
1 |
179 |
f |
[SO4]B:203 |
x,y,z |
1_555 |
2 |
1 |
186 |
13.9 |
-1.3 |
0.980 |
0 |
0 |
0 |
0.015 |
69 |
|
[EDO]B:321 |
2 |
1 |
184 |
◊ |
[EDO]A:315 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
183 |
12.1 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
70 |
|
A |
1 |
1 |
7336 |
◊ |
[SO4]B:201 |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
186 |
10.9 |
-1.1 |
0.898 |
0 |
0 |
0 |
0.000 |
71 |
|
B |
3 |
1 |
7278 |
f |
[EDO]B:306 |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
185 |
10.0 |
0.3 |
0.823 |
0 |
0 |
0 |
0.000 |
72 |
|
[EDO]A:316 |
2 |
1 |
181 |
f |
[EDO]A:304 |
x,y,z |
1_555 |
2 |
1 |
185 |
10.0 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
73 |
|
[EDO]B:317 |
1 |
1 |
185 |
f |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
2 |
7278 |
8.6 |
0.1 |
0.790 |
0 |
0 |
0 |
0.000 |
74 |
|
B |
2 |
1 |
7278 |
f |
[EDO]A:320 |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
185 |
7.7 |
0.3 |
0.834 |
0 |
0 |
0 |
0.000 |
75 |
|
[SO4]B:205 |
1 |
1 |
186 |
◊ |
[SO4]A:204 |
x-1,y,z |
1_455 |
2 |
1 |
184 |
7.6 |
-1.8 |
0.876 |
0 |
0 |
0 |
0.000 |
76 |
|
[EDO]B:318 |
1 |
1 |
184 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
7278 |
5.3 |
0.1 |
0.859 |
0 |
0 |
0 |
0.000 |
77 |
|
[SO4]B:203 |
2 |
1 |
186 |
◊ |
[ACE]A:0 |
x,y,z |
1_555 |
1 |
1 |
172 |
5.2 |
-0.7 |
0.800 |
0 |
0 |
0 |
0.000 |
78 |
|
A |
3 |
1 |
7336 |
f |
[EDO]A:314 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
4.7 |
0.1 |
0.796 |
0 |
0 |
0 |
0.000 |
79 |
|
B |
1 |
1 |
7278 |
x |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
7278 |
2.7 |
-0.0 |
0.526 |
0 |
0 |
0 |
0.000 |
80 |
|
A |
1 |
1 |
7336 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
2 |
2 |
7278 |
2.7 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
|