## |
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 |
310 |
80 |
15419 |
◊ |
A |
x,y,z |
1_555 |
306 |
81 |
15556 |
2911.0 |
-42.8 |
0.002 |
33 |
11 |
0 |
0.221 |
2 |
2 |
|
B |
66 |
23 |
15419 |
◊ |
A |
x,y,z-1 |
1_554 |
58 |
24 |
15556 |
541.1 |
2.4 |
0.846 |
6 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
58 |
17 |
15556 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
57 |
17 |
15556 |
511.9 |
-1.8 |
0.580 |
8 |
0 |
0 |
0.000 |
4 |
|
B |
54 |
16 |
15419 |
◊ |
B |
-x,-y+1,z |
2_565 |
53 |
16 |
15419 |
437.8 |
-0.9 |
0.627 |
8 |
0 |
0 |
0.000 |
Average: |
474.8 |
-1.4 |
0.603 |
8 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
31 |
10 |
15419 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
23 |
7 |
15419 |
230.7 |
3.5 |
0.912 |
5 |
4 |
0 |
0.000 |
6 |
|
A |
19 |
6 |
15556 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
28 |
8 |
15556 |
199.9 |
3.0 |
0.905 |
4 |
4 |
0 |
0.000 |
Average: |
215.3 |
3.3 |
0.908 |
5 |
4 |
0 |
0.000 |
5 |
7 |
|
[PG4]B:418 |
13 |
1 |
416 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
15419 |
172.2 |
5.3 |
0.375 |
4 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
21 |
7 |
15419 |
◊ |
[PEG]B:415 |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
261 |
126.7 |
4.1 |
0.486 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[PEG]A:414 |
7 |
1 |
263 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
15556 |
123.1 |
2.2 |
0.254 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
15 |
4 |
15419 |
x |
B |
-x+1/2,y-1/2,-z |
3_545 |
17 |
5 |
15419 |
122.4 |
0.2 |
0.659 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
[PEG]A:416 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
15556 |
122.3 |
2.7 |
0.340 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[PEG]B:414 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
15419 |
117.2 |
2.7 |
0.320 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[PG4]B:417 |
11 |
1 |
417 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
15419 |
114.3 |
3.2 |
0.308 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[PEG]A:412 |
6 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
15556 |
112.6 |
3.5 |
0.474 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[K]A:408 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
15556 |
109.2 |
-108.1 |
0.000 |
0 |
0 |
0 |
0.809 |
16 |
|
[K]B:408 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
15419 |
109.1 |
-107.7 |
0.000 |
0 |
0 |
0 |
0.809 |
Average: |
109.1 |
-107.9 |
0.000 |
0 |
0 |
0 |
0.809 |
14 |
17 |
|
A |
12 |
5 |
15556 |
x |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
12 |
3 |
15556 |
108.6 |
-0.6 |
0.499 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[PEG]A:413 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
18 |
4 |
15556 |
100.9 |
2.6 |
0.348 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[PO4]A:409 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15556 |
99.4 |
-5.2 |
0.913 |
2 |
0 |
0 |
0.023 |
17 |
20 |
|
[PO4]B:410 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
15419 |
98.6 |
-5.2 |
0.908 |
2 |
0 |
0 |
0.023 |
18 |
21 |
|
[PEG]A:411 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
15556 |
92.2 |
2.9 |
0.338 |
3 |
0 |
0 |
0.000 |
19 |
22 |
|
B |
20 |
5 |
15419 |
◊ |
[PG4]B:417 |
-x+1/2,y-1/2,-z |
3_545 |
8 |
1 |
417 |
91.9 |
2.6 |
0.383 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[PGE]B:416 |
10 |
1 |
337 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
15419 |
89.9 |
1.8 |
0.102 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[PEG]A:415 |
6 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15556 |
84.2 |
1.6 |
0.264 |
1 |
0 |
0 |
0.000 |
22 |
25 |
|
A |
13 |
4 |
15556 |
◊ |
[PGE]B:416 |
-x+1/2,y-1/2,-z |
3_545 |
6 |
1 |
337 |
73.8 |
1.7 |
0.241 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[PO4]B:409 |
5 |
1 |
188 |
f |
A |
x,y,z-1 |
1_554 |
9 |
5 |
15556 |
73.8 |
-3.7 |
0.812 |
1 |
0 |
0 |
0.016 |
24 |
27 |
|
[EDO]B:413 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
8 |
15419 |
72.8 |
2.2 |
0.272 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[PEG]A:411 |
5 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
15419 |
71.9 |
1.0 |
0.268 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
[PG4]B:418 |
4 |
1 |
416 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
15556 |
68.1 |
0.4 |
0.311 |
1 |
0 |
0 |
0.000 |
27 |
30 |
|
[EDO]A:410 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
15556 |
67.5 |
2.0 |
0.278 |
1 |
0 |
0 |
0.000 |
28 |
31 |
|
[EDO]B:412 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
15419 |
64.6 |
1.5 |
0.741 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
B |
7 |
4 |
15419 |
f |
[PGE]B:416 |
-x+1/2,y-1/2,-z |
3_545 |
5 |
1 |
337 |
59.2 |
1.7 |
0.295 |
1 |
0 |
0 |
0.000 |
30 |
33 |
|
[PEG]A:415 |
5 |
1 |
257 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
8 |
4 |
15556 |
56.7 |
2.5 |
0.390 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[PEG]A:413 |
4 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
15419 |
54.7 |
0.7 |
0.259 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
A |
7 |
2 |
15556 |
f |
[PG4]B:417 |
-x+1/2,y-1/2,-z |
3_545 |
4 |
1 |
417 |
49.9 |
0.1 |
0.277 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
A |
3 |
1 |
15556 |
f |
[PEG]A:412 |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
261 |
49.6 |
-0.2 |
0.065 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
[PO4]B:409 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
15419 |
48.7 |
-2.2 |
0.862 |
1 |
0 |
0 |
0.000 |
35 |
38 |
|
[EDO]B:412 |
4 |
1 |
186 |
f |
A |
x,y,z-1 |
1_554 |
6 |
2 |
15556 |
46.0 |
1.3 |
0.825 |
1 |
0 |
0 |
0.000 |
36 |
39 |
|
[PG4]B:417 |
4 |
1 |
417 |
◊ |
[PGE]B:416 |
x,y,z |
1_555 |
4 |
1 |
337 |
45.5 |
2.9 |
0.235 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[EDO]B:411 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
15419 |
44.5 |
1.3 |
0.810 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[PEG]B:415 |
3 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15419 |
40.9 |
1.6 |
0.448 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[EDO]B:413 |
3 |
1 |
186 |
f |
B |
-x,-y+1,z |
2_565 |
6 |
2 |
15419 |
36.8 |
1.1 |
0.832 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[EDO]B:411 |
4 |
1 |
185 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
8 |
2 |
15556 |
32.4 |
0.5 |
0.712 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
[PEG]B:414 |
2 |
1 |
261 |
f |
[EDO]B:412 |
x,y,z |
1_555 |
2 |
1 |
186 |
22.4 |
-0.2 |
0.319 |
1 |
0 |
0 |
0.002 |
42 |
45 |
|
[EDO]B:411 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
15556 |
20.2 |
0.4 |
0.786 |
0 |
0 |
0 |
0.000 |
43 |
46 |
|
B |
1 |
1 |
15419 |
f |
[PEG]A:414 |
x,y,z-1 |
1_554 |
3 |
1 |
263 |
15.9 |
0.6 |
0.331 |
0 |
0 |
0 |
0.000 |
44 |
47 |
|
[PEG]A:413 |
2 |
1 |
257 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
2 |
1 |
15556 |
9.3 |
0.3 |
0.377 |
0 |
0 |
0 |
0.000 |
45 |
48 |
|
[PG4]B:418 |
2 |
1 |
416 |
f |
[PEG]B:415 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
261 |
8.2 |
0.1 |
0.128 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
B |
1 |
1 |
15419 |
f |
[PEG]A:411 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
259 |
0.9 |
0.0 |
0.449 |
0 |
0 |
0 |
0.000 |
47 |
50 |
|
[PEG]A:413 |
1 |
1 |
257 |
f |
[EDO]B:411 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.8 |
0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
48 |
51 |
|
B |
1 |
1 |
15419 |
f |
[EDO]A:410 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
0.6 |
0.0 |
0.824 |
0 |
0 |
0 |
0.000 |
49 |
52 |
|
A |
1 |
1 |
15556 |
f |
[PEG]A:416 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
259 |
0.5 |
0.0 |
0.281 |
0 |
0 |
0 |
0.000 |
|