| ## |
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 |
115 |
27 |
11273 |
◊ |
A |
x,y,z |
1_555 |
104 |
26 |
11424 |
1085.8 |
-17.1 |
0.045 |
10 |
3 |
0 |
0.106 |
2 |
|
B |
62 |
16 |
11273 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
58 |
20 |
11424 |
545.1 |
-6.7 |
0.222 |
5 |
0 |
0 |
0.000 |
3 |
|
B |
52 |
14 |
11273 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
50 |
15 |
11424 |
465.4 |
1.4 |
0.802 |
5 |
1 |
0 |
0.000 |
4 |
|
B |
41 |
13 |
11273 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
15 |
11424 |
322.4 |
1.9 |
0.804 |
3 |
6 |
0 |
0.000 |
5 |
|
A |
30 |
9 |
11424 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
42 |
13 |
11424 |
321.3 |
1.3 |
0.761 |
5 |
7 |
0 |
0.000 |
6 |
|
B |
31 |
10 |
11273 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
37 |
15 |
11273 |
300.6 |
-0.1 |
0.667 |
2 |
3 |
0 |
0.000 |
7 |
|
[EPE]A:1801 |
14 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
11424 |
190.3 |
6.1 |
0.096 |
5 |
0 |
0 |
0.000 |
8 |
|
[DTT]A:1701 |
8 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
31 |
9 |
11424 |
187.9 |
-1.7 |
0.576 |
3 |
0 |
0 |
0.015 |
9 |
|
[PGE]A:1401 |
10 |
1 |
332 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
11424 |
182.0 |
5.0 |
0.292 |
2 |
0 |
0 |
0.000 |
10 |
|
[1PE]B:1301 |
15 |
1 |
439 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
11273 |
180.1 |
0.7 |
0.748 |
6 |
0 |
0 |
0.009 |
11 |
|
[PEG]B:1210 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
32 |
10 |
11273 |
175.3 |
3.1 |
0.390 |
1 |
0 |
0 |
0.000 |
12 |
|
[PG4]B:1601 |
13 |
1 |
409 |
f |
B |
x,y,z |
1_555 |
29 |
7 |
11273 |
167.7 |
3.9 |
0.280 |
3 |
0 |
0 |
0.000 |
13 |
|
[PEG]A:1201 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
30 |
10 |
11424 |
166.1 |
5.3 |
0.570 |
2 |
0 |
0 |
0.000 |
14 |
|
A |
23 |
7 |
11424 |
x |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
17 |
8 |
11424 |
163.6 |
1.8 |
0.802 |
3 |
2 |
0 |
0.000 |
15 |
|
[PGE]A:1404 |
10 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
26 |
5 |
11424 |
161.2 |
4.3 |
0.284 |
1 |
0 |
0 |
0.000 |
16 |
|
[PG4]B:1601 |
12 |
1 |
409 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
20 |
7 |
11424 |
151.3 |
3.6 |
0.280 |
1 |
0 |
0 |
0.000 |
17 |
|
[PEG]A:1204 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
11424 |
145.2 |
3.1 |
0.352 |
0 |
0 |
0 |
0.000 |
18 |
|
[1PE]B:1303 |
13 |
1 |
431 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
11273 |
144.1 |
-0.8 |
0.529 |
1 |
0 |
0 |
0.006 |
19 |
|
[PEG]A:1205 |
7 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
11424 |
140.9 |
2.9 |
0.333 |
1 |
0 |
0 |
0.000 |
20 |
|
[PEG]B:1209 |
7 |
1 |
256 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
8 |
11424 |
123.1 |
3.3 |
0.414 |
1 |
0 |
0 |
0.000 |
21 |
|
[PEG]B:1211 |
7 |
1 |
255 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11273 |
122.1 |
3.9 |
0.416 |
2 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:1505 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
11424 |
120.1 |
3.0 |
0.623 |
1 |
0 |
0 |
0.000 |
23 |
|
[PEG]A:1206 |
7 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
11424 |
116.1 |
3.5 |
0.395 |
0 |
0 |
0 |
0.000 |
24 |
|
[PEG]A:1207 |
7 |
1 |
252 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
11424 |
112.5 |
1.4 |
0.194 |
1 |
0 |
0 |
0.000 |
25 |
|
B |
11 |
5 |
11273 |
◊ |
[1PE]A:1302 |
x-1/2,-y-1/2,-z |
4_445 |
14 |
1 |
434 |
108.2 |
-0.1 |
0.696 |
1 |
0 |
0 |
0.000 |
26 |
|
[1PE]A:1302 |
9 |
1 |
434 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
11273 |
106.3 |
0.3 |
0.558 |
0 |
0 |
0 |
0.000 |
27 |
|
[PEG]A:1202 |
6 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
11424 |
104.2 |
1.5 |
0.268 |
1 |
0 |
0 |
0.000 |
28 |
|
B |
15 |
6 |
11273 |
◊ |
[PEG]A:1208 |
x-1/2,-y-1/2,-z |
4_445 |
7 |
1 |
255 |
98.5 |
2.6 |
0.287 |
1 |
0 |
0 |
0.000 |
29 |
|
[PO4]A:1901 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
11424 |
97.4 |
-6.8 |
0.663 |
3 |
0 |
0 |
0.042 |
30 |
|
[PEG]B:1203 |
6 |
1 |
256 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
11273 |
95.2 |
1.5 |
0.259 |
1 |
0 |
0 |
0.000 |
31 |
|
[1PE]B:1301 |
7 |
1 |
439 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
10 |
5 |
11424 |
89.4 |
0.1 |
0.679 |
3 |
0 |
0 |
0.000 |
32 |
|
[1PE]A:1302 |
16 |
1 |
434 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
11424 |
89.0 |
0.5 |
0.805 |
6 |
0 |
0 |
0.011 |
33 |
|
[PGE]A:1402 |
6 |
1 |
331 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
11424 |
82.3 |
2.8 |
0.364 |
0 |
0 |
0 |
0.000 |
34 |
|
[PEG]B:1209 |
7 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
11273 |
81.5 |
2.5 |
0.315 |
0 |
0 |
0 |
0.000 |
35 |
|
[EDO]A:1501 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
11424 |
78.3 |
2.5 |
0.291 |
2 |
0 |
0 |
0.000 |
36 |
|
B |
11 |
5 |
11273 |
◊ |
[PEG]A:1207 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
252 |
76.4 |
1.0 |
0.245 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]B:1506 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11273 |
76.1 |
1.3 |
0.228 |
0 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:1504 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11424 |
75.8 |
1.4 |
0.220 |
0 |
0 |
0 |
0.000 |
39 |
|
B |
10 |
4 |
11273 |
f |
[PGE]A:1402 |
x-1,y,z |
1_455 |
7 |
1 |
331 |
75.6 |
1.2 |
0.166 |
0 |
0 |
0 |
0.000 |
40 |
|
[EDO]B:1502 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
11273 |
72.2 |
2.1 |
0.274 |
0 |
0 |
0 |
0.000 |
41 |
|
[PEG]A:1208 |
6 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
11424 |
69.5 |
0.6 |
0.178 |
2 |
0 |
0 |
0.001 |
42 |
|
B |
10 |
5 |
11273 |
f |
[PGE]A:1401 |
x-1,y,z |
1_455 |
5 |
1 |
332 |
68.6 |
1.5 |
0.253 |
0 |
0 |
0 |
0.000 |
43 |
|
[PEG]A:1206 |
7 |
1 |
257 |
f |
[PGE]A:1402 |
x,y,z |
1_555 |
8 |
1 |
331 |
67.5 |
3.7 |
0.053 |
1 |
0 |
0 |
0.000 |
44 |
|
[1PE]B:1303 |
12 |
1 |
431 |
◊ |
[1PE]A:1302 |
x,y,z |
1_555 |
4 |
1 |
434 |
66.7 |
0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
45 |
|
[CL]A:215 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
11424 |
64.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.049 |
46 |
|
B |
7 |
3 |
11273 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
11273 |
64.6 |
1.3 |
0.842 |
2 |
3 |
0 |
0.000 |
47 |
|
B |
8 |
5 |
11273 |
◊ |
[1PE]B:1303 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
431 |
63.6 |
0.3 |
0.564 |
0 |
0 |
0 |
0.000 |
48 |
|
[EDO]B:1503 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
11273 |
62.7 |
2.2 |
0.902 |
0 |
0 |
0 |
0.000 |
49 |
|
[PEG]B:1203 |
6 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
11424 |
59.9 |
1.3 |
0.226 |
1 |
0 |
0 |
0.000 |
50 |
|
[PEG]A:1202 |
4 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
11273 |
59.4 |
1.8 |
0.399 |
0 |
0 |
0 |
0.000 |
51 |
|
[PGE]A:1404 |
6 |
1 |
333 |
f |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
2 |
11424 |
57.2 |
2.3 |
0.245 |
0 |
0 |
0 |
0.000 |
52 |
|
[CL]A:214 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11424 |
56.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.050 |
53 |
|
B |
8 |
3 |
11273 |
◊ |
[1PE]B:1301 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
439 |
55.3 |
-1.5 |
0.385 |
0 |
0 |
0 |
0.000 |
54 |
|
A |
4 |
2 |
11424 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
1 |
11273 |
40.7 |
-0.5 |
0.350 |
0 |
0 |
0 |
0.000 |
55 |
|
A |
5 |
2 |
11424 |
◊ |
[EPE]A:1801 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
400 |
38.2 |
1.6 |
0.263 |
0 |
0 |
0 |
0.000 |
56 |
|
B |
2 |
1 |
11273 |
x |
B |
x-1,y,z |
1_455 |
5 |
1 |
11273 |
36.4 |
0.8 |
0.796 |
0 |
0 |
0 |
0.000 |
57 |
|
[1PE]B:1301 |
5 |
1 |
439 |
◊ |
[1PE]A:1302 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
434 |
36.0 |
-0.6 |
0.530 |
0 |
0 |
0 |
0.000 |
58 |
|
[PEG]B:1203 |
3 |
1 |
256 |
f |
[1PE]A:1302 |
x,y,z |
1_555 |
3 |
1 |
434 |
31.8 |
1.0 |
0.395 |
0 |
0 |
0 |
0.000 |
59 |
|
[EDO]A:1501 |
3 |
1 |
183 |
f |
A |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
11424 |
30.7 |
0.9 |
0.806 |
0 |
0 |
0 |
0.000 |
60 |
|
[PEG]A:1207 |
2 |
1 |
252 |
f |
[DTT]A:1701 |
x,y,z |
1_555 |
1 |
1 |
291 |
28.7 |
-0.7 |
0.226 |
1 |
0 |
0 |
0.006 |
61 |
|
[EDO]A:1505 |
2 |
1 |
181 |
f |
A |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
11424 |
26.7 |
0.8 |
0.884 |
0 |
0 |
0 |
0.000 |
62 |
|
[PEG]A:1204 |
4 |
1 |
257 |
f |
[PO4]A:1901 |
x,y,z |
1_555 |
3 |
1 |
187 |
26.7 |
-0.7 |
0.305 |
0 |
0 |
0 |
0.003 |
63 |
|
[CL]A:215 |
1 |
1 |
125 |
f |
[CL]A:214 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.027 |
64 |
|
[PEG]B:1211 |
3 |
1 |
255 |
f |
A |
x-1,y,z |
1_455 |
5 |
2 |
11424 |
25.5 |
1.1 |
0.404 |
0 |
0 |
0 |
0.000 |
65 |
|
[PEG]A:1205 |
4 |
1 |
256 |
f |
A |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
11424 |
24.8 |
0.8 |
0.269 |
0 |
0 |
0 |
0.000 |
66 |
|
[EDO]B:1506 |
2 |
1 |
182 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
11424 |
23.0 |
0.8 |
0.844 |
0 |
0 |
0 |
0.000 |
67 |
|
[EDO]A:1504 |
1 |
1 |
181 |
f |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
11424 |
17.0 |
1.2 |
0.695 |
0 |
0 |
0 |
0.000 |
68 |
|
B |
3 |
1 |
11273 |
f |
[PEG]A:1206 |
x-1,y,z |
1_455 |
1 |
1 |
257 |
15.5 |
0.6 |
0.553 |
0 |
0 |
0 |
0.000 |
69 |
|
[PEG]A:1202 |
1 |
1 |
257 |
f |
[EDO]B:1502 |
x,y,z |
1_555 |
3 |
1 |
182 |
12.0 |
0.8 |
0.655 |
0 |
0 |
0 |
0.000 |
70 |
|
[PEG]B:1211 |
2 |
1 |
255 |
f |
[PEG]A:1202 |
x-1,y,z |
1_455 |
1 |
1 |
257 |
6.9 |
0.3 |
0.241 |
0 |
0 |
0 |
0.000 |
71 |
|
[EPE]A:1801 |
1 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
11273 |
6.8 |
0.3 |
0.425 |
0 |
0 |
0 |
0.000 |
72 |
|
[PG4]B:1601 |
2 |
1 |
409 |
◊ |
[PEG]A:1208 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
255 |
6.7 |
0.3 |
0.159 |
0 |
0 |
0 |
0.000 |
73 |
|
[EDO]B:1503 |
1 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
11424 |
3.4 |
0.1 |
0.862 |
0 |
0 |
0 |
0.000 |
74 |
|
[EDO]B:1503 |
1 |
1 |
181 |
f |
A |
x-1,y,z |
1_455 |
1 |
1 |
11424 |
0.2 |
0.0 |
0.832 |
0 |
0 |
0 |
0.000 |
|