| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
B |
96 |
30 |
12686 |
◊ |
A |
x,y,z |
1_555 |
92 |
30 |
13315 |
865.8 |
-7.0 |
0.248 |
8 |
5 |
0 |
0.070 |
| 2 |
2 |
|
B |
61 |
13 |
12686 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
3_544 |
81 |
27 |
13315 |
657.5 |
-6.4 |
0.242 |
2 |
3 |
0 |
0.052 |
| 3 |
3 |
|
A |
37 |
11 |
13315 |
x |
A |
x,y,z-1 |
1_554 |
49 |
20 |
13315 |
377.4 |
-2.0 |
0.467 |
1 |
0 |
0 |
0.000 |
4 |
|
B |
22 |
9 |
12686 |
x |
B |
x,y,z-1 |
1_554 |
27 |
14 |
12686 |
161.3 |
-1.5 |
0.397 |
0 |
0 |
0 |
0.000 |
| Average: |
269.3 |
-1.8 |
0.432 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[FXW]B:313 |
30 |
1 |
667 |
◊ |
A |
x,y,z |
1_555 |
37 |
12 |
13315 |
289.9 |
2.5 |
0.388 |
0 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[FXW]B:313 |
28 |
1 |
667 |
f |
B |
x,y,z |
1_555 |
37 |
12 |
12686 |
287.2 |
0.1 |
0.239 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
30 |
7 |
13315 |
◊ |
B |
x-1/2,-y+5/2,-z-1 |
4_474 |
32 |
11 |
12686 |
268.0 |
2.6 |
0.802 |
0 |
2 |
0 |
0.000 |
| 7 |
8 |
|
A |
29 |
7 |
13315 |
◊ |
A |
-x,-y+3,z |
2_585 |
29 |
7 |
13315 |
235.6 |
-2.4 |
0.374 |
0 |
2 |
0 |
0.000 |
| 8 |
9 |
|
[PEG]A:308 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
24 |
12 |
13315 |
165.5 |
3.1 |
0.365 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[GOL]A:301 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
13315 |
152.4 |
1.4 |
0.711 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[PGE]A:309 |
10 |
1 |
333 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
13315 |
150.1 |
5.2 |
0.253 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
B |
15 |
6 |
12686 |
x |
B |
x-1/2,-y+5/2,-z-1 |
4_474 |
13 |
3 |
12686 |
146.8 |
-0.5 |
0.461 |
0 |
1 |
0 |
0.000 |
| 12 |
13 |
|
[PEG]A:307 |
6 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
13315 |
116.8 |
4.6 |
0.580 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[PEG]B:314 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
12686 |
114.2 |
2.7 |
0.294 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
13315 |
106.1 |
-15.1 |
0.831 |
3 |
0 |
0 |
0.110 |
| 15 |
16 |
|
[SO4]B:308 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
12686 |
104.8 |
-15.6 |
0.818 |
3 |
0 |
0 |
0.113 |
| 16 |
17 |
|
[SO4]B:312 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
12686 |
86.2 |
-10.9 |
0.893 |
1 |
0 |
0 |
0.076 |
| 17 |
18 |
|
[SO4]A:306 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
13315 |
80.5 |
-11.5 |
0.743 |
0 |
0 |
0 |
0.077 |
| 18 |
19 |
|
[SO4]B:310 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12686 |
67.6 |
-8.5 |
0.826 |
1 |
0 |
0 |
0.060 |
| 19 |
20 |
|
[SO4]B:309 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12686 |
66.9 |
-8.2 |
0.861 |
1 |
0 |
0 |
0.058 |
| 20 |
21 |
|
A |
12 |
2 |
13315 |
f |
[PEG]A:307 |
x,y,z-1 |
1_554 |
6 |
1 |
258 |
65.6 |
-0.6 |
0.114 |
0 |
0 |
0 |
0.004 |
| 21 |
22 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
12686 |
64.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.055 |
| 22 |
23 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12686 |
62.4 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.061 |
| 23 |
24 |
|
[SO4]A:305 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
13315 |
62.2 |
-8.6 |
0.756 |
2 |
0 |
0 |
0.063 |
| 24 |
25 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12686 |
58.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.055 |
| 25 |
26 |
|
[SO4]B:311 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
12686 |
55.0 |
-6.1 |
0.902 |
1 |
0 |
0 |
0.044 |
| 26 |
27 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13315 |
53.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.047 |
| 27 |
28 |
|
B |
7 |
2 |
12686 |
◊ |
[SO4]A:306 |
-x+1/2,y-1/2,-z-1 |
3_544 |
5 |
1 |
186 |
51.9 |
-6.4 |
0.824 |
0 |
0 |
0 |
0.043 |
| 28 |
29 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
12686 |
50.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| 29 |
30 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
12686 |
49.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| 30 |
31 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
13315 |
49.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.040 |
| 31 |
32 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12686 |
44.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.040 |
| 32 |
33 |
|
[SO4]B:311 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13315 |
35.7 |
-3.9 |
0.832 |
0 |
0 |
0 |
0.025 |
| 33 |
34 |
|
B |
4 |
3 |
12686 |
◊ |
A |
-x+1,-y+3,z |
2_685 |
5 |
4 |
13315 |
35.2 |
0.7 |
0.774 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[SO4]B:310 |
4 |
1 |
186 |
◊ |
B |
x-1/2,-y+5/2,-z-1 |
4_474 |
3 |
2 |
12686 |
34.3 |
-4.3 |
0.399 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
B |
3 |
1 |
12686 |
f |
[PEG]A:308 |
-x+1/2,y-1/2,-z-1 |
3_544 |
3 |
1 |
261 |
27.7 |
1.3 |
0.427 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[SO4]B:309 |
3 |
1 |
185 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
3_544 |
3 |
1 |
13315 |
24.4 |
-2.1 |
0.937 |
0 |
0 |
0 |
0.014 |
| 37 |
38 |
|
[PGE]A:309 |
4 |
1 |
333 |
f |
[SO4]A:304 |
x,y,z |
1_555 |
2 |
1 |
185 |
21.0 |
-2.1 |
0.298 |
0 |
0 |
0 |
0.014 |
| 38 |
39 |
|
[SO4]B:311 |
3 |
1 |
186 |
◊ |
[SO4]A:305 |
x,y,z |
1_555 |
1 |
1 |
184 |
13.0 |
-2.8 |
0.891 |
0 |
0 |
0 |
0.018 |
| 39 |
40 |
|
[SO4]B:310 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13315 |
11.6 |
-1.0 |
0.869 |
0 |
0 |
0 |
0.006 |
| 40 |
41 |
|
[SO4]A:304 |
2 |
1 |
185 |
f |
[GOL]A:301 |
x,y,z |
1_555 |
2 |
1 |
218 |
10.8 |
-1.4 |
0.748 |
0 |
0 |
0 |
0.009 |
| 41 |
42 |
|
[SO4]A:305 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12686 |
8.9 |
-0.7 |
0.858 |
0 |
0 |
0 |
0.004 |
| 42 |
43 |
|
[PEG]B:314 |
2 |
1 |
260 |
f |
[CL]B:306 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 43 |
44 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
[CL]B:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
|