## |
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 |
|
A |
75 |
26 |
16207 |
◊ |
A |
y-1/3,x+1/3,-z+1/3 |
10_455 |
76 |
26 |
16207 |
752.2 |
-0.3 |
0.773 |
3 |
0 |
0 |
0.000 |
2 |
|
A |
53 |
18 |
16207 |
◊ |
A |
-x,-x+y,-z |
6_555 |
54 |
18 |
16207 |
523.9 |
-3.5 |
0.421 |
2 |
0 |
0 |
0.000 |
3 |
|
A |
39 |
14 |
16207 |
x |
A |
-y,x-y+1,z |
2_565 |
34 |
12 |
16207 |
354.8 |
-1.9 |
0.441 |
1 |
0 |
0 |
0.000 |
4 |
|
[KHP]A:513 |
16 |
1 |
437 |
f |
A |
x,y,z |
1_555 |
33 |
15 |
16207 |
222.7 |
-2.7 |
0.531 |
2 |
0 |
0 |
0.000 |
5 |
|
[KHP]A:506 |
19 |
1 |
436 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
16207 |
210.4 |
-2.0 |
0.711 |
1 |
0 |
0 |
0.000 |
6 |
|
[KHP]A:507 |
16 |
1 |
435 |
f |
A |
x,y,z |
1_555 |
29 |
8 |
16207 |
191.2 |
-3.0 |
0.560 |
1 |
0 |
0 |
0.000 |
7 |
|
[1PE]A:525 |
14 |
1 |
477 |
◊ |
[1PE]A:525 |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
14 |
1 |
477 |
181.7 |
-1.2 |
0.673 |
0 |
0 |
0 |
0.000 |
8 |
|
[NAG]A:501 |
11 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
18 |
8 |
16207 |
153.3 |
4.7 |
0.561 |
1 |
0 |
0 |
0.000 |
9 |
|
[PGE]A:521 |
9 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
16207 |
146.7 |
4.3 |
0.314 |
0 |
0 |
0 |
0.000 |
10 |
|
[PEG]A:530 |
7 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
18 |
10 |
16207 |
145.5 |
4.8 |
0.451 |
2 |
0 |
0 |
0.000 |
11 |
|
[NAG]A:503 |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
16207 |
136.2 |
2.3 |
0.288 |
1 |
0 |
0 |
0.000 |
12 |
|
[1PE]A:533 |
11 |
1 |
440 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
16207 |
134.9 |
-2.4 |
0.548 |
0 |
0 |
0 |
0.000 |
13 |
|
[1PE]A:533 |
10 |
1 |
440 |
◊ |
A |
-y,x-y+1,z |
2_565 |
14 |
6 |
16207 |
124.3 |
0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
14 |
|
[1PE]A:525 |
12 |
1 |
477 |
f |
A |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
20 |
8 |
16207 |
113.7 |
-1.9 |
0.441 |
0 |
0 |
0 |
0.000 |
15 |
|
[ACT]A:505 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
16207 |
108.6 |
-0.2 |
0.649 |
2 |
0 |
0 |
0.000 |
16 |
|
[PEG]A:520 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
16207 |
108.2 |
2.4 |
0.432 |
0 |
0 |
0 |
0.000 |
17 |
|
[PEG]A:515 |
6 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
16207 |
107.1 |
2.6 |
0.408 |
0 |
0 |
0 |
0.000 |
18 |
|
[PEG]A:517 |
7 |
1 |
262 |
◊ |
[PEG]A:517 |
-x,-x+y,-z |
6_555 |
7 |
1 |
262 |
106.0 |
4.1 |
0.192 |
0 |
0 |
0 |
0.000 |
19 |
|
[PEG]A:516 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
16207 |
98.7 |
3.1 |
0.513 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:528 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
16207 |
97.6 |
2.5 |
0.433 |
0 |
0 |
0 |
0.000 |
21 |
|
[PEG]A:514 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
16207 |
97.0 |
3.3 |
0.510 |
0 |
0 |
0 |
0.000 |
22 |
|
[1PE]A:525 |
11 |
1 |
477 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
16207 |
96.2 |
-0.2 |
0.560 |
0 |
0 |
0 |
0.000 |
23 |
|
[PEG]A:518 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
16207 |
95.2 |
2.2 |
0.388 |
0 |
0 |
0 |
0.000 |
24 |
|
[PEG]A:524 |
7 |
1 |
261 |
◊ |
A |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
18 |
9 |
16207 |
92.7 |
1.3 |
0.232 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:508 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
16207 |
89.2 |
2.5 |
0.439 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:512 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
16207 |
85.4 |
2.1 |
0.265 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:529 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16207 |
83.5 |
2.3 |
0.268 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
8 |
4 |
16207 |
◊ |
A |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
8 |
4 |
16207 |
81.1 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:522 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
16207 |
78.4 |
2.2 |
0.275 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:532 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
16207 |
76.9 |
1.9 |
0.225 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAG]A:502 |
8 |
1 |
362 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
6 |
1 |
358 |
75.6 |
2.0 |
0.132 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:534 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16207 |
75.4 |
1.9 |
0.236 |
1 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:526 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16207 |
74.2 |
1.3 |
0.615 |
0 |
0 |
0 |
0.000 |
34 |
|
[PEG]A:517 |
7 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
16207 |
73.8 |
1.6 |
0.267 |
0 |
0 |
0 |
0.000 |
35 |
|
[SO4]A:504 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16207 |
73.4 |
-10.8 |
0.635 |
1 |
0 |
0 |
0.000 |
36 |
|
[PEG]A:517 |
7 |
1 |
262 |
◊ |
A |
-x,-x+y,-z |
6_555 |
9 |
4 |
16207 |
73.2 |
1.8 |
0.301 |
0 |
0 |
0 |
0.000 |
37 |
|
[NAG]A:502 |
8 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
16207 |
72.6 |
1.0 |
0.236 |
1 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:511 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
16207 |
72.4 |
2.2 |
0.268 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:531 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
16207 |
70.5 |
1.1 |
0.415 |
0 |
0 |
0 |
0.000 |
40 |
|
[EDO]A:519 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
16207 |
68.5 |
2.0 |
0.265 |
0 |
0 |
0 |
0.000 |
41 |
|
[ACT]A:510 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
16207 |
65.7 |
-0.2 |
0.532 |
0 |
0 |
0 |
0.000 |
42 |
|
[PGE]A:521 |
6 |
1 |
334 |
f |
[KHP]A:507 |
x,y,z |
1_555 |
14 |
1 |
435 |
62.7 |
2.2 |
0.213 |
0 |
0 |
0 |
0.000 |
43 |
|
[SO4]A:504 |
4 |
1 |
184 |
◊ |
A |
-x,-x+y,-z |
6_555 |
9 |
4 |
16207 |
60.5 |
-8.4 |
0.663 |
1 |
0 |
0 |
0.000 |
44 |
|
[EDO]A:523 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
16207 |
56.2 |
1.3 |
0.812 |
1 |
0 |
0 |
0.000 |
45 |
|
[SO4]A:535 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
16207 |
52.8 |
-5.8 |
0.955 |
2 |
0 |
0 |
0.000 |
46 |
|
[EDO]A:527 |
4 |
1 |
185 |
◊ |
A |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
8 |
3 |
16207 |
51.3 |
0.9 |
0.655 |
0 |
0 |
0 |
0.000 |
47 |
|
[EDO]A:527 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
16207 |
50.5 |
1.5 |
0.714 |
0 |
0 |
0 |
0.000 |
48 |
|
[PEG]A:524 |
6 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
16207 |
48.7 |
0.6 |
0.163 |
0 |
0 |
0 |
0.000 |
49 |
|
[EDO]A:527 |
4 |
1 |
185 |
◊ |
[EDO]A:523 |
x,y,z |
1_555 |
4 |
1 |
185 |
48.5 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[NAG]A:503 |
5 |
1 |
363 |
x |
[NAG]A:503 |
-y,x-y+1,z |
2_565 |
5 |
1 |
363 |
42.6 |
0.8 |
0.135 |
0 |
0 |
0 |
0.000 |
51 |
|
[SO4]A:509 |
5 |
1 |
184 |
fx |
[SO4]A:509 |
-y,x-y+1,z |
2_565 |
5 |
1 |
184 |
41.2 |
-9.1 |
0.993 |
0 |
0 |
0 |
0.100 |
52 |
|
[SO4]A:509 |
4 |
1 |
184 |
◊ |
[NAG]A:503 |
-y,x-y+1,z |
2_565 |
6 |
1 |
363 |
37.3 |
-3.0 |
0.407 |
0 |
0 |
0 |
0.000 |
53 |
|
[1PE]A:525 |
5 |
1 |
477 |
◊ |
[PEG]A:524 |
x,y,z |
1_555 |
4 |
1 |
261 |
36.2 |
0.7 |
0.335 |
0 |
0 |
0 |
0.000 |
54 |
|
[1PE]A:533 |
2 |
1 |
440 |
◊ |
[EDO]A:532 |
x,y,z |
1_555 |
3 |
1 |
185 |
34.9 |
0.5 |
0.620 |
0 |
0 |
0 |
0.000 |
55 |
|
[SO4]A:509 |
4 |
1 |
184 |
◊ |
[NAG]A:503 |
x,y,z |
1_555 |
7 |
1 |
363 |
34.7 |
-2.7 |
0.319 |
1 |
0 |
0 |
0.000 |
56 |
|
[1PE]A:533 |
4 |
1 |
440 |
◊ |
[EDO]A:531 |
x,y,z |
1_555 |
3 |
1 |
184 |
33.6 |
0.5 |
0.826 |
0 |
0 |
0 |
0.000 |
57 |
|
[EDO]A:523 |
3 |
1 |
185 |
f |
A |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
2 |
1 |
16207 |
33.5 |
0.6 |
0.296 |
0 |
0 |
0 |
0.000 |
58 |
|
[1PE]A:525 |
4 |
1 |
477 |
◊ |
[PEG]A:524 |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
3 |
1 |
261 |
32.5 |
1.2 |
0.457 |
0 |
0 |
0 |
0.000 |
59 |
|
[PEG]A:524 |
2 |
1 |
261 |
◊ |
[EDO]A:527 |
x,y,z |
1_555 |
3 |
1 |
185 |
30.9 |
1.8 |
0.655 |
0 |
0 |
0 |
0.000 |
60 |
|
[PEG]A:515 |
2 |
1 |
255 |
f |
[ACT]A:505 |
x,y,z |
1_555 |
3 |
1 |
182 |
29.4 |
-0.7 |
0.246 |
0 |
0 |
0 |
0.000 |
61 |
|
[PEG]A:514 |
2 |
1 |
219 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
2 |
1 |
362 |
28.2 |
1.2 |
0.391 |
0 |
0 |
0 |
0.000 |
62 |
|
[PEG]A:518 |
2 |
1 |
220 |
f |
[SO4]A:535 |
x,y,z |
1_555 |
1 |
1 |
184 |
21.6 |
-2.6 |
0.438 |
0 |
0 |
0 |
0.000 |
63 |
|
[NAG]A:503 |
5 |
1 |
363 |
◊ |
[SO4]A:509 |
-y,x-y+1,z |
2_565 |
2 |
1 |
184 |
20.1 |
-1.7 |
0.356 |
0 |
0 |
0 |
0.000 |
64 |
|
[PEG]A:518 |
1 |
1 |
220 |
f |
[EDO]A:519 |
x,y,z |
1_555 |
1 |
1 |
183 |
15.1 |
1.0 |
0.447 |
0 |
0 |
0 |
0.000 |
65 |
|
[EDO]A:511 |
2 |
1 |
183 |
f |
[SO4]A:504 |
x,y,z |
1_555 |
4 |
1 |
184 |
14.2 |
-1.2 |
0.999 |
0 |
0 |
0 |
0.000 |
66 |
|
[SO4]A:509 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
16207 |
13.8 |
-1.1 |
0.872 |
0 |
0 |
0 |
0.000 |
67 |
|
[PEG]A:515 |
1 |
1 |
255 |
f |
[PEG]A:514 |
x,y,z |
1_555 |
2 |
1 |
219 |
13.1 |
0.9 |
0.370 |
0 |
0 |
0 |
0.000 |
68 |
|
[SO4]A:509 |
1 |
1 |
184 |
◊ |
A |
-y,x-y+1,z |
2_565 |
3 |
2 |
16207 |
12.7 |
-1.1 |
0.798 |
0 |
0 |
0 |
0.000 |
69 |
|
[PEG]A:514 |
1 |
1 |
219 |
f |
[NAG]A:501 |
x,y,z |
1_555 |
2 |
1 |
358 |
11.5 |
0.7 |
0.300 |
0 |
0 |
0 |
0.000 |
70 |
|
[EDO]A:534 |
1 |
1 |
184 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
2 |
1 |
363 |
10.8 |
0.7 |
0.510 |
0 |
0 |
0 |
0.000 |
71 |
|
[NAG]A:503 |
1 |
1 |
363 |
◊ |
A |
-y,x-y+1,z |
2_565 |
1 |
1 |
16207 |
8.3 |
0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
72 |
|
[EDO]A:526 |
3 |
1 |
184 |
f |
[NAG]A:501 |
x,y,z |
1_555 |
1 |
1 |
358 |
8.2 |
0.3 |
0.535 |
0 |
0 |
0 |
0.000 |
73 |
|
[PEG]A:520 |
1 |
1 |
220 |
f |
[KHP]A:507 |
x,y,z |
1_555 |
2 |
1 |
435 |
7.5 |
0.5 |
0.518 |
0 |
0 |
0 |
0.000 |
74 |
|
[EDO]A:519 |
1 |
1 |
183 |
f |
[EDO]A:508 |
x,y,z |
1_555 |
3 |
1 |
186 |
7.1 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
75 |
|
[PEG]A:520 |
1 |
1 |
220 |
f |
[EDO]A:508 |
x,y,z |
1_555 |
1 |
1 |
186 |
2.0 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
76 |
|
[EDO]A:532 |
1 |
1 |
185 |
f |
[EDO]A:531 |
x,y,z |
1_555 |
1 |
1 |
184 |
1.6 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
77 |
|
[1PE]A:533 |
1 |
1 |
440 |
f |
[PEG]A:530 |
-y,x-y+1,z |
2_565 |
1 |
1 |
255 |
1.4 |
0.1 |
0.277 |
0 |
0 |
0 |
0.000 |
78 |
|
[PEG]A:520 |
1 |
1 |
220 |
f |
[EDO]A:511 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.5 |
0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
|