| ## |
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 |
|
A |
71 |
21 |
19690 |
x |
A |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
65 |
17 |
19690 |
617.9 |
-4.2 |
0.459 |
4 |
1 |
0 |
0.000 |
| 2 |
2 |
|
A |
46 |
13 |
19690 |
x |
A |
-y,x-y,z |
2_555 |
43 |
21 |
19690 |
437.9 |
-2.4 |
0.431 |
4 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[1PE]A:620 |
16 |
1 |
475 |
f |
A |
x,y,z |
1_555 |
36 |
14 |
19690 |
280.7 |
-1.4 |
0.656 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[NAG]A:604 |
13 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
27 |
10 |
19690 |
188.3 |
3.5 |
0.339 |
1 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
22 |
8 |
19690 |
x |
A |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
19 |
6 |
19690 |
171.8 |
-2.0 |
0.322 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[NAG]A:603 |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
22 |
10 |
19690 |
163.9 |
3.7 |
0.428 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[PGE]A:619 |
10 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
19690 |
156.8 |
4.8 |
0.285 |
2 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[PEG]A:617 |
7 |
1 |
252 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
19690 |
142.3 |
3.6 |
0.449 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[PEG]A:613 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
19690 |
132.0 |
3.2 |
0.379 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[PGE]A:618 |
10 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
19690 |
131.1 |
4.3 |
0.238 |
2 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[NAG]A:607 |
9 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
16 |
5 |
19690 |
127.7 |
4.1 |
0.596 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[PEG]A:615 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
19690 |
123.5 |
4.5 |
0.514 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
A |
17 |
4 |
19690 |
◊ |
[PEG]A:616 |
-y,x-y,z |
2_555 |
7 |
1 |
259 |
123.3 |
2.4 |
0.283 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[PO4]A:612 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
19690 |
122.3 |
-7.6 |
0.725 |
3 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[PEG]A:614 |
7 |
1 |
248 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
19690 |
121.4 |
1.9 |
0.216 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[NAG]A:605 |
12 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
14 |
7 |
19690 |
121.0 |
3.1 |
0.356 |
1 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[NAG]A:609 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
17 |
5 |
19690 |
120.1 |
2.9 |
0.343 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[NAG]A:608 |
12 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
17 |
7 |
19690 |
116.2 |
1.8 |
0.209 |
2 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[NAG]A:606 |
11 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
13 |
5 |
19690 |
113.2 |
2.2 |
0.282 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
A |
19 |
6 |
19690 |
◊ |
[EDO]A:626 |
-y,x-y,z |
2_555 |
4 |
1 |
184 |
101.8 |
3.0 |
0.500 |
1 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[EDO]A:623 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
19690 |
99.3 |
3.9 |
0.539 |
0 |
0 |
0 |
0.000 |
| 22 |
22 |
|
A |
15 |
6 |
19690 |
◊ |
[PGE]A:618 |
-y,x-y,z |
2_555 |
7 |
1 |
334 |
98.2 |
2.4 |
0.268 |
0 |
0 |
0 |
0.000 |
| 23 |
23 |
|
A |
18 |
7 |
19690 |
◊ |
[EDO]A:630 |
-y,x-y,z |
2_555 |
4 |
1 |
184 |
95.2 |
3.0 |
0.528 |
1 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[EDO]A:632 |
4 |
1 |
184 |
◊ |
A |
-y,x-y,z |
2_555 |
15 |
7 |
19690 |
91.8 |
1.7 |
0.357 |
1 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[PO4]A:611 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
19690 |
81.6 |
-5.5 |
0.736 |
4 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[EDO]A:627 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19690 |
81.2 |
3.3 |
0.339 |
1 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[EDO]A:621 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
19690 |
80.7 |
2.8 |
0.327 |
3 |
0 |
0 |
0.000 |
| 28 |
28 |
|
[EDO]A:631 |
4 |
1 |
185 |
◊ |
A |
-y,x-y,z |
2_555 |
10 |
5 |
19690 |
72.5 |
2.0 |
0.451 |
0 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[NAG]A:610 |
8 |
1 |
363 |
cf |
[NAG]A:609 |
x,y,z |
1_555 |
6 |
1 |
359 |
70.5 |
1.3 |
0.090 |
0 |
0 |
0 |
0.000 |
| 30 |
30 |
|
[EDO]A:625 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
19690 |
70.4 |
2.3 |
0.291 |
0 |
0 |
0 |
0.000 |
| 31 |
31 |
|
[EDO]A:622 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
19690 |
66.1 |
2.0 |
0.257 |
0 |
0 |
0 |
0.000 |
| 32 |
32 |
|
A |
9 |
4 |
19690 |
◊ |
[EDO]A:624 |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
3 |
1 |
184 |
65.9 |
1.5 |
0.266 |
0 |
0 |
0 |
0.000 |
| 33 |
33 |
|
[NAG]A:610 |
5 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
19690 |
62.2 |
1.8 |
0.505 |
0 |
0 |
0 |
0.000 |
| 34 |
34 |
|
A |
8 |
5 |
19690 |
◊ |
[NAG]A:604 |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
4 |
1 |
362 |
61.6 |
1.2 |
0.476 |
0 |
0 |
0 |
0.000 |
| 35 |
35 |
|
[1PE]A:620 |
6 |
1 |
475 |
f |
[NAG]A:607 |
x,y,z |
1_555 |
5 |
1 |
363 |
58.7 |
0.4 |
0.361 |
0 |
0 |
0 |
0.000 |
| 36 |
36 |
|
[EDO]A:631 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
19690 |
58.5 |
1.8 |
0.318 |
0 |
0 |
0 |
0.000 |
| 37 |
37 |
|
[PGE]A:619 |
5 |
1 |
337 |
f |
[PEG]A:615 |
x,y,z |
1_555 |
7 |
1 |
261 |
58.0 |
3.0 |
0.099 |
0 |
0 |
0 |
0.000 |
| 38 |
38 |
|
[PEG]A:616 |
6 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
19690 |
56.6 |
0.9 |
0.146 |
0 |
0 |
0 |
0.000 |
| 39 |
39 |
|
[EDO]A:628 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
19690 |
51.8 |
0.6 |
0.613 |
1 |
0 |
0 |
0.000 |
| 40 |
40 |
|
[EDO]A:624 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
19690 |
51.3 |
1.7 |
0.910 |
0 |
0 |
0 |
0.000 |
| 41 |
41 |
|
A |
8 |
6 |
19690 |
◊ |
[NAG]A:605 |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
4 |
1 |
364 |
48.7 |
0.3 |
0.254 |
0 |
0 |
0 |
0.000 |
| 42 |
42 |
|
[FE]A:601 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
7 |
5 |
19690 |
46.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
43 |
|
[FE]A:602 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
19690 |
46.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
44 |
|
[EDO]A:629 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
19690 |
45.1 |
1.3 |
0.758 |
0 |
0 |
0 |
0.000 |
| 45 |
45 |
|
[EDO]A:624 |
4 |
1 |
184 |
f |
[NAG]A:604 |
x,y,z |
1_555 |
4 |
1 |
362 |
43.9 |
1.1 |
0.265 |
0 |
0 |
0 |
0.000 |
| 46 |
46 |
|
[1PE]A:620 |
3 |
1 |
475 |
◊ |
A |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
6 |
2 |
19690 |
40.9 |
-0.9 |
0.428 |
0 |
0 |
0 |
0.000 |
| 47 |
47 |
|
[EDO]A:621 |
4 |
1 |
183 |
◊ |
A |
-y,x-y,z |
2_555 |
9 |
3 |
19690 |
38.9 |
1.1 |
0.859 |
0 |
0 |
0 |
0.000 |
| 48 |
48 |
|
A |
3 |
1 |
19690 |
◊ |
[EDO]A:628 |
-y,x-y,z |
2_555 |
2 |
1 |
183 |
37.0 |
0.2 |
0.095 |
0 |
0 |
0 |
0.000 |
| 49 |
49 |
|
[EDO]A:626 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
19690 |
35.7 |
0.8 |
0.913 |
2 |
0 |
0 |
0.000 |
| 50 |
50 |
|
[EDO]A:632 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
19690 |
34.3 |
0.9 |
0.748 |
0 |
0 |
0 |
0.000 |
| 51 |
51 |
|
[PO4]A:611 |
4 |
1 |
189 |
cf |
[FE]A:601 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
|
[PO4]A:611 |
4 |
1 |
189 |
f |
[FE]A:602 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
30.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 52 |
53 |
|
[NAG]A:606 |
1 |
1 |
365 |
◊ |
A |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
4 |
2 |
19690 |
28.9 |
1.4 |
0.835 |
0 |
0 |
0 |
0.000 |
| 53 |
54 |
|
[EDO]A:631 |
4 |
1 |
185 |
f |
[EDO]A:621 |
x,y,z |
1_555 |
2 |
1 |
183 |
28.5 |
1.5 |
0.707 |
0 |
0 |
0 |
0.000 |
| 54 |
55 |
|
[EDO]A:627 |
3 |
1 |
184 |
f |
[EDO]A:623 |
x,y,z |
1_555 |
2 |
1 |
182 |
25.2 |
1.5 |
0.707 |
0 |
0 |
0 |
0.000 |
| 55 |
56 |
|
[FE]A:602 |
1 |
1 |
137 |
f |
[FE]A:601 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 56 |
57 |
|
[EDO]A:630 |
3 |
1 |
184 |
f |
[EDO]A:626 |
x,y,z |
1_555 |
2 |
1 |
184 |
19.8 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
| 57 |
58 |
|
A |
3 |
2 |
19690 |
◊ |
[NAG]A:603 |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
3 |
1 |
363 |
19.6 |
0.0 |
0.173 |
0 |
0 |
0 |
0.000 |
| 58 |
59 |
|
[NAG]A:608 |
2 |
1 |
365 |
◊ |
A |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
3 |
1 |
19690 |
15.5 |
0.7 |
0.532 |
0 |
0 |
0 |
0.000 |
| 59 |
60 |
|
[EDO]A:632 |
1 |
1 |
184 |
f |
[EDO]A:631 |
x,y,z |
1_555 |
3 |
1 |
185 |
15.5 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 60 |
61 |
|
[PGE]A:618 |
2 |
1 |
334 |
f |
[NAG]A:609 |
x,y,z |
1_555 |
3 |
1 |
359 |
14.0 |
0.7 |
0.208 |
0 |
0 |
0 |
0.000 |
| 61 |
62 |
|
[NAG]A:609 |
3 |
1 |
359 |
◊ |
A |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
2 |
1 |
19690 |
12.9 |
0.1 |
0.248 |
0 |
0 |
0 |
0.000 |
| 62 |
63 |
|
[EDO]A:632 |
2 |
1 |
184 |
f |
[EDO]A:621 |
x,y,z |
1_555 |
2 |
1 |
183 |
12.5 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 63 |
64 |
|
A |
1 |
1 |
19690 |
f |
[EDO]A:625 |
-y,x-y,z |
2_555 |
1 |
1 |
181 |
8.8 |
-0.0 |
0.454 |
0 |
0 |
0 |
0.000 |
| 64 |
65 |
|
[PEG]A:615 |
1 |
1 |
261 |
f |
[PEG]A:614 |
x,y,z |
1_555 |
1 |
1 |
248 |
2.5 |
0.2 |
0.202 |
0 |
0 |
0 |
0.000 |
| 65 |
66 |
|
[EDO]A:621 |
1 |
1 |
183 |
fx |
[EDO]A:621 |
-y,x-y,z |
2_555 |
1 |
1 |
183 |
1.1 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|