| ## |
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 |
91 |
30 |
10984 |
◊ |
A |
x,y,z |
1_555 |
93 |
30 |
11028 |
882.1 |
3.3 |
0.735 |
17 |
16 |
0 |
0.000 |
| 2 |
2 |
|
B |
38 |
12 |
10984 |
◊ |
A |
y,x-1,-z-1/3 |
7_544 |
37 |
12 |
11028 |
318.5 |
2.1 |
0.714 |
7 |
4 |
0 |
0.000 |
| 3 |
3 |
|
A |
29 |
13 |
11028 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
30 |
14 |
11028 |
294.1 |
6.3 |
0.949 |
6 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
26 |
10 |
10984 |
◊ |
A |
-x+y+1,y,-z-1/2 |
11_654 |
33 |
13 |
11028 |
285.7 |
1.3 |
0.608 |
7 |
6 |
0 |
0.000 |
| 5 |
5 |
|
B |
23 |
9 |
10984 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
28 |
8 |
11028 |
218.1 |
2.4 |
0.779 |
4 |
1 |
0 |
0.000 |
| 6 |
6 |
|
[PGE]A:304 |
10 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
11028 |
155.7 |
5.1 |
0.288 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[1PE]A:302 |
10 |
1 |
465 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
11028 |
152.0 |
-0.5 |
0.456 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[MPD]A:310 |
6 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
11028 |
142.3 |
-7.7 |
0.780 |
3 |
0 |
0 |
0.000 |
| 9 |
9 |
|
B |
16 |
6 |
10984 |
◊ |
[PGE]A:303 |
-y,x-y-1,z-1/3 |
2_544 |
10 |
1 |
338 |
138.6 |
2.5 |
0.126 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[PEG]A:308 |
7 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
11028 |
129.6 |
1.3 |
0.167 |
1 |
0 |
0 |
0.000 |
| 11 |
11 |
|
A |
11 |
4 |
11028 |
◊ |
A |
x-y,-y,-z |
8_555 |
11 |
4 |
11028 |
129.2 |
-1.6 |
0.215 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
B |
15 |
5 |
10984 |
◊ |
[1PE]A:302 |
y,x-1,-z-1/3 |
7_544 |
14 |
1 |
465 |
123.4 |
-0.3 |
0.526 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[PEG]B:304 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
10984 |
123.3 |
4.0 |
0.428 |
2 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[PEG]B:302 |
7 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
10984 |
117.5 |
3.5 |
0.362 |
0 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[PEG]A:307 |
7 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
11028 |
108.6 |
1.9 |
0.235 |
1 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[PEG]A:309 |
7 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
11028 |
104.3 |
2.2 |
0.272 |
2 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[PEG]A:309 |
7 |
1 |
253 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
10984 |
101.7 |
2.6 |
0.304 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[PGE]A:303 |
7 |
1 |
338 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
11028 |
97.8 |
3.6 |
0.305 |
1 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[PG4]B:306 |
8 |
1 |
406 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
10984 |
97.5 |
3.3 |
0.392 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
B |
13 |
6 |
10984 |
f |
[PEG]A:306 |
-y,x-y-1,z-1/3 |
2_544 |
6 |
1 |
256 |
95.2 |
1.5 |
0.232 |
2 |
0 |
0 |
0.000 |
| 21 |
21 |
|
A |
11 |
3 |
11028 |
◊ |
B |
x-y,x,z-1/6 |
6_554 |
8 |
4 |
10984 |
94.3 |
2.3 |
0.851 |
2 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[EDO]B:308 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
10984 |
86.9 |
2.3 |
0.235 |
2 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[PEG]B:305 |
6 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
10984 |
76.0 |
1.7 |
0.232 |
0 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[EDO]B:309 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
10984 |
75.2 |
1.8 |
0.232 |
1 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[EDO]B:310 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
10984 |
70.5 |
1.8 |
0.753 |
1 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[PEG]B:303 |
5 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
11028 |
69.4 |
1.4 |
0.247 |
0 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[PEG]A:306 |
7 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
11028 |
66.0 |
2.1 |
0.241 |
0 |
0 |
0 |
0.000 |
| 28 |
28 |
|
[NA]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
10984 |
59.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.217 |
| 29 |
29 |
|
B |
10 |
4 |
10984 |
◊ |
[NA]A:305 |
y,x-1,-z-1/3 |
7_544 |
1 |
1 |
125 |
55.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[NA]A:305 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11028 |
47.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
51.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
10984 |
51.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
11028 |
49.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
50.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[PEG]B:303 |
4 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
10984 |
48.5 |
1.1 |
0.308 |
1 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[EDO]B:308 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
11028 |
44.6 |
1.0 |
0.698 |
1 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[EDO]B:307 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
11028 |
44.0 |
1.5 |
0.849 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[PGE]A:304 |
5 |
1 |
329 |
◊ |
[PGE]A:304 |
-x+y+1,y,-z-1/2 |
11_654 |
5 |
1 |
329 |
41.8 |
2.4 |
0.082 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[PG4]B:306 |
3 |
1 |
406 |
◊ |
[PG4]B:306 |
-x+y+1,y,-z-1/2 |
11_654 |
3 |
1 |
406 |
39.0 |
1.6 |
0.248 |
1 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[EDO]B:309 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
11028 |
37.0 |
0.8 |
0.445 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[PEG]B:305 |
3 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
11028 |
36.7 |
0.4 |
0.245 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[PEG]B:303 |
3 |
1 |
259 |
f |
[PEG]A:308 |
x,y,z |
1_555 |
3 |
1 |
258 |
31.5 |
0.5 |
0.116 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[PG4]B:306 |
4 |
1 |
406 |
◊ |
[PEG]A:307 |
-x+y+1,y,-z-1/2 |
11_654 |
2 |
1 |
256 |
27.8 |
1.3 |
0.269 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[EDO]B:307 |
3 |
1 |
185 |
f |
[PEG]A:307 |
x,y,z |
1_555 |
5 |
1 |
256 |
27.5 |
1.1 |
0.287 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
B |
6 |
3 |
10984 |
x |
B |
x-y,x,z-1/6 |
6_554 |
5 |
3 |
10984 |
26.4 |
1.2 |
0.819 |
1 |
1 |
0 |
0.000 |
| 42 |
44 |
|
[EDO]B:307 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
10984 |
25.5 |
0.7 |
0.880 |
1 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[PEG]B:304 |
3 |
1 |
261 |
f |
A |
y,x-1,-z-1/3 |
7_544 |
1 |
1 |
11028 |
24.9 |
0.1 |
0.093 |
0 |
0 |
0 |
0.000 |
| 44 |
46 |
|
[EDO]B:308 |
3 |
1 |
185 |
f |
[PEG]A:309 |
x,y,z |
1_555 |
3 |
1 |
253 |
17.9 |
0.4 |
0.328 |
0 |
0 |
0 |
0.000 |
| 45 |
47 |
|
[PEG]A:306 |
1 |
1 |
256 |
◊ |
[PGE]A:303 |
x,y,z |
1_555 |
2 |
1 |
338 |
14.4 |
0.6 |
0.233 |
0 |
0 |
0 |
0.000 |
| 46 |
48 |
|
[PGE]A:304 |
2 |
1 |
329 |
◊ |
A |
-x+y+1,y,-z-1/2 |
11_654 |
2 |
1 |
11028 |
13.4 |
0.4 |
0.361 |
0 |
0 |
0 |
0.000 |
| 47 |
49 |
|
[PG4]B:306 |
2 |
1 |
406 |
◊ |
B |
-x+y+1,y,-z-1/2 |
11_654 |
2 |
2 |
10984 |
8.2 |
0.2 |
0.284 |
0 |
0 |
0 |
0.000 |
| 48 |
50 |
|
[PEG]B:304 |
1 |
1 |
261 |
f |
[PEG]B:302 |
x,y,z |
1_555 |
2 |
1 |
259 |
8.0 |
0.0 |
0.171 |
0 |
0 |
0 |
0.000 |
| 49 |
51 |
|
[MPD]A:310 |
2 |
1 |
280 |
f |
[PGE]A:304 |
x,y,z |
1_555 |
1 |
1 |
329 |
4.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
52 |
|
B |
1 |
1 |
10984 |
◊ |
[MPD]A:310 |
y,x-1,-z-1/3 |
7_544 |
1 |
1 |
280 |
0.8 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
53 |
|
[PG4]B:306 |
1 |
1 |
406 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
11028 |
0.4 |
0.0 |
0.394 |
0 |
0 |
0 |
0.000 |
|