## |
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 |
298 |
76 |
12610 |
◊ |
A |
x,y,z |
1_555 |
319 |
80 |
11952 |
2995.4 |
-47.9 |
0.001 |
33 |
5 |
0 |
0.531 |
2 |
|
A |
62 |
16 |
11952 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
56 |
15 |
12610 |
496.0 |
-4.4 |
0.347 |
9 |
1 |
0 |
0.104 |
3 |
|
B |
29 |
9 |
12610 |
x |
B |
-y,x-y,z+1/3 |
2_555 |
31 |
9 |
12610 |
273.8 |
1.8 |
0.811 |
4 |
2 |
0 |
0.000 |
4 |
|
B |
24 |
7 |
12610 |
x |
B |
-y+1,x-y,z+1/3 |
2_655 |
23 |
11 |
12610 |
213.9 |
-1.6 |
0.416 |
4 |
0 |
0 |
0.000 |
5 |
|
[PGE]A:313 |
10 |
1 |
327 |
◊ |
A |
x,y,z |
1_555 |
33 |
13 |
11952 |
176.9 |
3.9 |
0.361 |
3 |
0 |
0 |
0.000 |
6 |
|
[TRS]B:305 |
7 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
26 |
12 |
12610 |
164.4 |
4.5 |
0.419 |
6 |
0 |
0 |
0.000 |
7 |
|
A |
20 |
4 |
11952 |
x |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
17 |
3 |
11952 |
145.8 |
-0.5 |
0.569 |
3 |
0 |
0 |
0.000 |
8 |
|
[TRS]A:303 |
7 |
1 |
250 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
11952 |
144.4 |
4.1 |
0.314 |
3 |
0 |
0 |
0.000 |
9 |
|
A |
18 |
4 |
11952 |
x |
A |
-y+1,x-y,z+1/3 |
2_655 |
13 |
4 |
11952 |
143.3 |
-0.5 |
0.535 |
1 |
3 |
0 |
0.000 |
10 |
|
[GOL]B:308 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
12610 |
142.6 |
0.7 |
0.679 |
9 |
0 |
0 |
0.040 |
11 |
|
[PEG]A:307 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
11952 |
139.5 |
2.1 |
0.276 |
3 |
0 |
0 |
0.000 |
12 |
|
[GOL]B:303 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
12610 |
132.7 |
-0.4 |
0.529 |
5 |
0 |
0 |
0.032 |
13 |
|
[PEG]A:310 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
11952 |
127.7 |
2.5 |
0.337 |
1 |
0 |
0 |
0.000 |
14 |
|
B |
15 |
5 |
12610 |
x |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
16 |
5 |
12610 |
122.9 |
2.2 |
0.830 |
3 |
3 |
0 |
0.000 |
15 |
|
[SO4]A:304 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
13 |
11952 |
120.1 |
-19.0 |
0.688 |
3 |
0 |
0 |
0.247 |
16 |
|
[PEG]B:313 |
6 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
12610 |
119.3 |
2.5 |
0.333 |
3 |
0 |
0 |
0.000 |
17 |
|
[GOL]A:315 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
11952 |
116.5 |
-1.3 |
0.439 |
2 |
0 |
0 |
0.026 |
18 |
|
[GOL]B:304 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
12610 |
115.0 |
-1.1 |
0.446 |
2 |
0 |
0 |
0.024 |
19 |
|
[TRS]B:307 |
7 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
12610 |
111.2 |
2.0 |
0.676 |
3 |
0 |
0 |
0.000 |
20 |
|
[PEG]A:316 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
11952 |
106.9 |
3.3 |
0.362 |
3 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
21 |
4 |
11952 |
93.4 |
2.1 |
0.416 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:308 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
11952 |
93.2 |
3.8 |
0.538 |
1 |
0 |
0 |
0.000 |
23 |
|
[SO4]B:301 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
12610 |
91.8 |
-12.9 |
0.858 |
3 |
0 |
0 |
0.173 |
24 |
|
[GOL]A:309 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11952 |
90.8 |
-0.2 |
0.536 |
1 |
0 |
0 |
0.008 |
25 |
|
[EDO]B:310 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
12610 |
90.7 |
2.4 |
0.273 |
3 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:301 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
11952 |
90.4 |
2.2 |
0.268 |
4 |
0 |
0 |
0.000 |
27 |
|
[GOL]A:314 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
12610 |
84.5 |
-1.1 |
0.394 |
2 |
0 |
0 |
0.024 |
28 |
|
[EDO]A:312 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
11952 |
79.3 |
2.2 |
0.237 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:317 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
11952 |
78.1 |
2.2 |
0.384 |
1 |
0 |
0 |
0.000 |
30 |
|
B |
11 |
3 |
12610 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
2 |
11952 |
77.5 |
1.4 |
0.814 |
3 |
0 |
0 |
0.000 |
31 |
|
[PGE]A:313 |
8 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
12610 |
75.2 |
0.3 |
0.078 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:312 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
12610 |
73.0 |
1.0 |
0.636 |
1 |
0 |
0 |
0.000 |
33 |
|
[SO4]A:305 |
4 |
1 |
186 |
f |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
10 |
5 |
11952 |
71.3 |
-10.3 |
0.754 |
1 |
0 |
0 |
0.130 |
34 |
|
[SO4]A:311 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
11952 |
71.2 |
-10.6 |
0.648 |
3 |
0 |
0 |
0.145 |
35 |
|
[EDO]B:306 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
12610 |
70.3 |
1.4 |
0.236 |
3 |
0 |
0 |
0.000 |
36 |
|
[EDO]B:312 |
4 |
1 |
183 |
f |
B |
-y,x-y,z+1/3 |
2_555 |
12 |
5 |
12610 |
70.1 |
1.8 |
0.793 |
1 |
0 |
0 |
0.000 |
37 |
|
[SO4]A:306 |
4 |
1 |
186 |
f |
B |
-y+1,x-y,z+1/3 |
2_655 |
7 |
3 |
12610 |
68.6 |
-8.1 |
0.948 |
3 |
0 |
0 |
0.115 |
38 |
|
[EDO]B:306 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
11952 |
68.4 |
2.2 |
0.457 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
8 |
4 |
11952 |
◊ |
[EDO]B:309 |
-y+1,x-y,z+1/3 |
2_655 |
3 |
1 |
185 |
64.0 |
2.4 |
0.302 |
0 |
0 |
0 |
0.000 |
40 |
|
[SO4]A:306 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
11952 |
62.7 |
-8.3 |
0.863 |
2 |
0 |
0 |
0.111 |
41 |
|
[SO4]A:305 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
11952 |
62.3 |
-6.7 |
0.927 |
2 |
0 |
0 |
0.000 |
42 |
|
[GOL]A:309 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
12610 |
60.6 |
0.0 |
0.588 |
1 |
0 |
0 |
0.004 |
43 |
|
[GOL]A:314 |
6 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
11952 |
60.0 |
-0.7 |
0.428 |
1 |
0 |
0 |
0.010 |
44 |
|
[EDO]B:309 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
12610 |
59.7 |
0.8 |
0.572 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]B:312 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12610 |
58.7 |
1.6 |
0.255 |
0 |
0 |
0 |
0.000 |
46 |
|
[EDO]B:311 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11952 |
58.3 |
1.5 |
0.720 |
2 |
0 |
0 |
0.000 |
47 |
|
[EDO]B:302 |
4 |
1 |
184 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
8 |
2 |
12610 |
58.0 |
1.9 |
0.764 |
1 |
0 |
0 |
0.000 |
48 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
12610 |
57.9 |
1.2 |
0.694 |
1 |
0 |
0 |
0.000 |
49 |
|
A |
7 |
2 |
11952 |
f |
[EDO]A:317 |
-y+1,x-y+1,z+1/3 |
2_665 |
4 |
1 |
186 |
57.9 |
1.4 |
0.811 |
3 |
0 |
0 |
0.000 |
50 |
|
A |
7 |
4 |
11952 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
9 |
5 |
12610 |
56.2 |
0.7 |
0.752 |
1 |
0 |
0 |
0.000 |
51 |
|
[PEG]B:313 |
5 |
1 |
260 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
11 |
4 |
12610 |
53.4 |
1.8 |
0.343 |
0 |
0 |
0 |
0.000 |
52 |
|
[GOL]A:314 |
5 |
1 |
216 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
15 |
6 |
12610 |
51.8 |
-0.3 |
0.520 |
0 |
0 |
0 |
0.000 |
53 |
|
[GOL]B:308 |
3 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11952 |
46.0 |
0.8 |
0.752 |
2 |
0 |
0 |
0.000 |
54 |
|
[EDO]B:311 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
12610 |
45.0 |
0.7 |
0.678 |
1 |
0 |
0 |
0.000 |
55 |
|
A |
5 |
3 |
11952 |
◊ |
[TRS]B:307 |
-y,x-y,z+1/3 |
2_555 |
4 |
1 |
255 |
42.4 |
1.2 |
0.880 |
1 |
0 |
0 |
0.000 |
56 |
|
[TRS]A:303 |
2 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
12610 |
37.4 |
0.2 |
0.226 |
0 |
0 |
0 |
0.000 |
57 |
|
[PEG]B:313 |
3 |
1 |
260 |
f |
[EDO]B:311 |
x,y,z |
1_555 |
4 |
1 |
184 |
33.1 |
1.6 |
0.464 |
1 |
0 |
0 |
0.000 |
58 |
|
A |
5 |
2 |
11952 |
f |
[EDO]B:310 |
-y+1,x-y,z+1/3 |
2_655 |
2 |
1 |
184 |
29.2 |
1.3 |
0.933 |
1 |
0 |
0 |
0.000 |
59 |
|
[EDO]A:302 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
12610 |
26.1 |
0.2 |
0.543 |
0 |
0 |
0 |
0.000 |
60 |
|
[SO4]B:301 |
2 |
1 |
187 |
f |
[EDO]B:302 |
x,y,z |
1_555 |
2 |
1 |
184 |
24.1 |
-2.6 |
0.980 |
1 |
0 |
0 |
0.037 |
61 |
|
[GOL]B:303 |
2 |
1 |
220 |
f |
[TRS]B:305 |
x,y,z |
1_555 |
2 |
1 |
256 |
23.8 |
0.4 |
0.764 |
1 |
0 |
0 |
0.001 |
62 |
|
[PEG]A:316 |
2 |
1 |
261 |
◊ |
[EDO]A:317 |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
186 |
23.6 |
0.7 |
0.452 |
1 |
0 |
0 |
0.000 |
63 |
|
[PEG]A:316 |
4 |
1 |
261 |
f |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
4 |
1 |
11952 |
22.9 |
0.3 |
0.210 |
0 |
0 |
0 |
0.000 |
64 |
|
[SO4]B:301 |
4 |
1 |
187 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
3 |
2 |
12610 |
22.9 |
-2.3 |
0.892 |
0 |
0 |
0 |
0.000 |
65 |
|
[PEG]A:310 |
2 |
1 |
256 |
f |
[EDO]A:301 |
x,y,z |
1_555 |
2 |
1 |
186 |
21.8 |
0.8 |
0.535 |
1 |
0 |
0 |
0.000 |
66 |
|
[GOL]A:309 |
2 |
1 |
218 |
◊ |
[EDO]A:308 |
x,y,z |
1_555 |
2 |
1 |
184 |
16.3 |
0.6 |
0.866 |
0 |
0 |
0 |
0.000 |
67 |
|
[EDO]A:308 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
12610 |
11.8 |
0.4 |
0.829 |
0 |
0 |
0 |
0.000 |
68 |
|
[SO4]A:306 |
1 |
1 |
186 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
2 |
1 |
11952 |
9.9 |
-1.1 |
0.767 |
0 |
0 |
0 |
0.009 |
69 |
|
[PGE]A:313 |
1 |
1 |
327 |
f |
[GOL]A:314 |
x,y,z |
1_555 |
2 |
1 |
216 |
7.6 |
0.2 |
0.418 |
0 |
0 |
0 |
0.000 |
70 |
|
[SO4]A:311 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
12610 |
7.0 |
-0.7 |
0.826 |
0 |
0 |
0 |
0.006 |
71 |
|
[PGE]A:313 |
1 |
1 |
327 |
f |
[EDO]B:306 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.4 |
-0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
72 |
|
[GOL]B:308 |
1 |
1 |
219 |
f |
[EDO]A:312 |
x,y,z |
1_555 |
1 |
1 |
184 |
1.5 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|