## |
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 |
334 |
79 |
13921 |
◊ |
A |
x,y,z |
1_555 |
344 |
80 |
13486 |
3009.3 |
-39.8 |
0.055 |
24 |
13 |
0 |
0.000 |
2 |
|
B |
66 |
18 |
13921 |
◊ |
B |
y,x,-z |
7_555 |
65 |
18 |
13921 |
587.1 |
2.4 |
0.871 |
1 |
8 |
0 |
0.000 |
3 |
|
B |
38 |
12 |
13921 |
◊ |
A |
-y+1,x,z |
3_655 |
50 |
16 |
13486 |
373.9 |
-2.2 |
0.528 |
0 |
6 |
0 |
0.000 |
4 |
|
B |
30 |
9 |
13921 |
◊ |
A |
y,x,-z |
7_555 |
24 |
6 |
13486 |
235.0 |
-2.5 |
0.411 |
3 |
0 |
0 |
0.000 |
5 |
|
[PGE]A:314 |
10 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
32 |
10 |
13486 |
194.9 |
5.6 |
0.413 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
19 |
5 |
13486 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
19 |
5 |
13486 |
179.0 |
3.9 |
0.965 |
1 |
4 |
0 |
0.000 |
7 |
|
[PGE]B:312 |
9 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
26 |
11 |
13921 |
175.6 |
4.8 |
0.408 |
1 |
0 |
0 |
0.000 |
8 |
|
B |
29 |
9 |
13921 |
◊ |
[MES]A:303 |
-y+1,x,z |
3_655 |
11 |
1 |
339 |
163.1 |
5.2 |
0.392 |
0 |
0 |
0 |
0.000 |
9 |
|
[PEG]A:317 |
7 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
30 |
14 |
13486 |
157.6 |
4.5 |
0.546 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
20 |
8 |
13486 |
◊ |
A |
x,-y+1,-z |
6_565 |
20 |
8 |
13486 |
149.5 |
1.5 |
0.841 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
17 |
3 |
13921 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
24 |
6 |
13486 |
141.0 |
-0.2 |
0.672 |
2 |
2 |
0 |
0.000 |
12 |
|
[IPA]B:301 |
4 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
13921 |
116.7 |
7.6 |
0.608 |
1 |
0 |
0 |
0.000 |
13 |
|
[IPA]A:302 |
4 |
1 |
196 |
◊ |
A |
x,y,z |
1_555 |
18 |
10 |
13486 |
114.9 |
5.4 |
0.688 |
1 |
0 |
0 |
0.000 |
14 |
|
[PEG]A:315 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
13486 |
113.4 |
1.9 |
0.282 |
0 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:306 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
13921 |
112.9 |
3.7 |
0.551 |
1 |
0 |
0 |
0.000 |
16 |
|
[PEG]A:318 |
6 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13486 |
112.9 |
2.7 |
0.377 |
0 |
0 |
0 |
0.000 |
17 |
|
[EDO]A:307 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
13486 |
112.4 |
3.8 |
0.525 |
0 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:307 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
13921 |
109.9 |
3.0 |
0.439 |
2 |
0 |
0 |
0.000 |
19 |
|
[PG4]B:311 |
11 |
1 |
411 |
f |
B |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
13 |
3 |
13921 |
109.6 |
2.4 |
0.266 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:305 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
13921 |
109.2 |
4.0 |
0.675 |
0 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:309 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
13486 |
107.3 |
3.1 |
0.481 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:304 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
13486 |
104.2 |
3.8 |
0.678 |
0 |
0 |
0 |
0.000 |
23 |
|
[EDO]B:302 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
13921 |
103.2 |
3.6 |
0.666 |
2 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:308 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
13486 |
101.6 |
2.5 |
0.425 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
23 |
6 |
13921 |
◊ |
[PEG]A:316 |
-y+1,x,z |
3_655 |
7 |
1 |
258 |
98.7 |
2.8 |
0.421 |
1 |
0 |
0 |
0.000 |
26 |
|
[PG4]B:311 |
7 |
1 |
411 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
13921 |
98.4 |
3.2 |
0.463 |
0 |
0 |
0 |
0.000 |
27 |
|
[PG4]B:311 |
8 |
1 |
411 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
13486 |
94.9 |
2.3 |
0.358 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]B:308 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
13921 |
94.1 |
1.7 |
0.261 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:311 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
13486 |
93.3 |
3.1 |
0.527 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]B:304 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
13921 |
90.4 |
3.3 |
0.338 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:313 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13486 |
89.5 |
1.5 |
0.259 |
0 |
0 |
0 |
0.000 |
32 |
|
[IPA]A:301 |
4 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
13921 |
88.0 |
3.5 |
0.544 |
0 |
0 |
0 |
0.000 |
33 |
|
[MES]A:303 |
7 |
1 |
339 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13486 |
86.7 |
1.3 |
0.070 |
0 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:312 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
13486 |
78.6 |
2.3 |
0.287 |
0 |
0 |
0 |
0.000 |
35 |
|
[CL]B:314 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
13921 |
77.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[PEG]A:316 |
5 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
13486 |
76.9 |
1.5 |
0.350 |
0 |
0 |
0 |
0.000 |
37 |
|
[IMD]B:316 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
13921 |
76.5 |
2.1 |
0.195 |
0 |
0 |
0 |
0.000 |
38 |
|
[IMD]B:316 |
5 |
1 |
198 |
◊ |
B |
y,x,-z |
7_555 |
12 |
7 |
13921 |
76.4 |
2.4 |
0.225 |
0 |
0 |
0 |
0.000 |
39 |
|
[PEG]B:313 |
7 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
13921 |
75.7 |
0.9 |
0.181 |
0 |
0 |
0 |
0.000 |
40 |
|
[EDO]A:306 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
13486 |
72.5 |
2.8 |
0.568 |
1 |
0 |
0 |
0.000 |
41 |
|
[EDO]B:309 |
4 |
1 |
184 |
◊ |
A |
-y+1,x,z |
3_655 |
11 |
4 |
13486 |
71.4 |
2.3 |
0.534 |
0 |
0 |
0 |
0.000 |
42 |
|
[EDO]A:305 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
13486 |
68.9 |
2.1 |
0.505 |
2 |
0 |
0 |
0.000 |
43 |
|
[EDO]B:310 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
13921 |
68.2 |
2.4 |
0.313 |
1 |
0 |
0 |
0.000 |
44 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
13921 |
66.3 |
2.0 |
0.846 |
0 |
0 |
0 |
0.000 |
45 |
|
[IMD]B:315 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
13921 |
66.1 |
2.2 |
0.275 |
0 |
0 |
0 |
0.000 |
46 |
|
[IMD]B:315 |
5 |
1 |
198 |
◊ |
B |
y,x,-z |
7_555 |
19 |
6 |
13921 |
66.0 |
2.3 |
0.313 |
0 |
0 |
0 |
0.000 |
47 |
|
B |
10 |
5 |
13921 |
◊ |
B |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
10 |
5 |
13921 |
61.9 |
0.5 |
0.769 |
0 |
0 |
0 |
0.000 |
48 |
|
[EDO]B:309 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
13921 |
61.8 |
1.5 |
0.865 |
1 |
0 |
0 |
0.000 |
49 |
|
[IPA]A:301 |
4 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
13486 |
58.0 |
1.6 |
0.282 |
0 |
0 |
0 |
0.000 |
50 |
|
[IMD]B:315 |
5 |
1 |
198 |
◊ |
[IMD]B:315 |
y,x,-z |
7_555 |
5 |
1 |
198 |
56.8 |
2.6 |
0.039 |
0 |
0 |
0 |
0.000 |
51 |
|
[PG4]B:311 |
6 |
1 |
411 |
◊ |
[PG4]B:311 |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
6 |
1 |
411 |
51.1 |
3.1 |
0.187 |
0 |
0 |
0 |
0.000 |
52 |
|
[PGE]B:312 |
8 |
1 |
336 |
f |
[EDO]B:303 |
x,y,z |
1_555 |
4 |
1 |
185 |
47.4 |
1.9 |
0.125 |
1 |
0 |
0 |
0.000 |
53 |
|
[EDO]A:310 |
3 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13486 |
46.5 |
1.2 |
0.234 |
0 |
0 |
0 |
0.000 |
54 |
|
B |
9 |
3 |
13921 |
◊ |
[EDO]A:310 |
-y+1,x,z |
3_655 |
4 |
1 |
180 |
41.0 |
1.3 |
0.053 |
0 |
0 |
0 |
0.000 |
55 |
|
[EDO]A:312 |
2 |
1 |
185 |
◊ |
A |
x,-y+1,-z |
6_565 |
4 |
1 |
13486 |
39.8 |
1.4 |
0.644 |
0 |
0 |
0 |
0.000 |
56 |
|
B |
8 |
2 |
13921 |
◊ |
[EDO]A:305 |
-y+1,x,z |
3_655 |
4 |
1 |
184 |
39.5 |
0.7 |
0.534 |
0 |
0 |
0 |
0.000 |
57 |
|
B |
7 |
4 |
13921 |
◊ |
B |
-x+1,y,-z |
5_655 |
7 |
4 |
13921 |
37.1 |
-1.1 |
0.346 |
0 |
0 |
0 |
0.000 |
58 |
|
[EDO]B:309 |
3 |
1 |
184 |
◊ |
[MES]A:303 |
-y+1,x,z |
3_655 |
4 |
1 |
339 |
34.3 |
1.6 |
0.167 |
0 |
0 |
0 |
0.000 |
59 |
|
[PEG]A:316 |
5 |
1 |
258 |
f |
[EDO]A:310 |
x,y,z |
1_555 |
2 |
1 |
180 |
33.8 |
1.7 |
0.175 |
0 |
0 |
0 |
0.000 |
60 |
|
[EDO]A:312 |
4 |
1 |
185 |
f |
B |
y,x,-z |
7_555 |
2 |
2 |
13921 |
33.7 |
0.4 |
0.421 |
0 |
0 |
0 |
0.000 |
61 |
|
[EDO]A:311 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
13921 |
33.3 |
0.3 |
0.188 |
0 |
0 |
0 |
0.000 |
62 |
|
[EDO]B:304 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
13486 |
33.1 |
1.3 |
0.647 |
1 |
0 |
0 |
0.000 |
63 |
|
[EDO]B:304 |
3 |
1 |
184 |
f |
[IPA]A:301 |
x,y,z |
1_555 |
3 |
1 |
197 |
31.5 |
1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
|
[EDO]A:309 |
2 |
1 |
184 |
f |
[EDO]A:308 |
x,y,z |
1_555 |
3 |
1 |
183 |
30.8 |
1.8 |
0.707 |
0 |
0 |
0 |
0.000 |
65 |
|
[EDO]A:313 |
3 |
1 |
181 |
f |
[EDO]A:310 |
x,y,z |
1_555 |
4 |
1 |
180 |
28.5 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
66 |
|
B |
4 |
3 |
13921 |
f |
[EDO]A:306 |
-y+1,x,z |
3_655 |
3 |
1 |
184 |
25.0 |
0.6 |
0.575 |
0 |
0 |
0 |
0.000 |
67 |
|
[EDO]A:310 |
2 |
1 |
180 |
◊ |
[EDO]A:306 |
x,y,z |
1_555 |
2 |
1 |
184 |
23.5 |
1.1 |
0.559 |
0 |
0 |
0 |
0.000 |
68 |
|
[EDO]A:306 |
3 |
1 |
184 |
◊ |
[EDO]A:305 |
x,y,z |
1_555 |
3 |
1 |
184 |
23.1 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
69 |
|
[PEG]A:316 |
5 |
1 |
258 |
f |
[EDO]A:313 |
x,y,z |
1_555 |
2 |
1 |
181 |
20.5 |
1.0 |
0.245 |
0 |
0 |
0 |
0.000 |
70 |
|
[PEG]A:315 |
4 |
1 |
262 |
◊ |
[EDO]A:306 |
x,y,z |
1_555 |
2 |
1 |
184 |
17.6 |
0.8 |
0.355 |
0 |
0 |
0 |
0.000 |
71 |
|
[CL]B:314 |
1 |
1 |
125 |
f |
[EDO]B:307 |
x,y,z |
1_555 |
2 |
1 |
186 |
12.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
|
[PEG]A:315 |
2 |
1 |
262 |
f |
[EDO]A:305 |
x,y,z |
1_555 |
2 |
1 |
184 |
12.2 |
0.7 |
0.495 |
0 |
0 |
0 |
0.000 |
73 |
|
[EDO]B:302 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13486 |
11.6 |
0.2 |
0.444 |
0 |
0 |
0 |
0.000 |
74 |
|
[PEG]A:317 |
1 |
1 |
262 |
f |
[EDO]A:308 |
x,y,z |
1_555 |
2 |
1 |
183 |
8.6 |
0.5 |
0.535 |
0 |
0 |
0 |
0.000 |
75 |
|
[EDO]A:304 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
13921 |
7.5 |
0.1 |
0.772 |
0 |
0 |
0 |
0.000 |
76 |
|
[EDO]B:306 |
1 |
1 |
187 |
f |
[EDO]B:304 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.7 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
77 |
|
[EDO]B:309 |
2 |
1 |
184 |
f |
[EDO]A:305 |
-y+1,x,z |
3_655 |
1 |
1 |
184 |
4.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
78 |
|
[EDO]A:304 |
1 |
1 |
186 |
f |
[IPA]A:302 |
x,y,z |
1_555 |
1 |
1 |
196 |
0.2 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|