| ## |
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 |
55 |
18 |
14995 |
x |
A |
-y-1/2,x+1/2,z+1/4 |
3_455 |
53 |
13 |
14995 |
444.0 |
-3.9 |
0.388 |
3 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
39 |
15 |
14995 |
x |
A |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
41 |
14 |
14995 |
355.7 |
1.4 |
0.801 |
4 |
2 |
0 |
0.000 |
| 3 |
3 |
|
A |
20 |
11 |
14995 |
x |
A |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
23 |
9 |
14995 |
194.3 |
-1.0 |
0.516 |
4 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
16 |
4 |
14995 |
◊ |
A |
-y-1,-x-1,-z-1/2 |
8_444 |
15 |
4 |
14995 |
142.0 |
-0.6 |
0.537 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[IMD]A:532 |
5 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
14995 |
114.7 |
3.8 |
0.436 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[EDO]A:518 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
14995 |
110.2 |
3.2 |
0.468 |
4 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[EDO]A:523 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14995 |
107.8 |
3.5 |
0.483 |
3 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[EDO]A:508 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
14995 |
104.6 |
4.0 |
0.664 |
3 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[EDO]A:510 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
14995 |
103.8 |
2.9 |
0.308 |
1 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[ACT]A:528 |
4 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
14995 |
102.9 |
-1.5 |
0.496 |
1 |
0 |
0 |
0.010 |
| 11 |
11 |
|
[EDO]A:521 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14995 |
102.0 |
3.9 |
0.696 |
4 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[ACT]A:531 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
14995 |
101.5 |
-0.1 |
0.733 |
2 |
0 |
0 |
0.005 |
| 13 |
13 |
|
[EDO]A:514 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
14995 |
98.9 |
2.9 |
0.480 |
3 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[EDO]A:512 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14995 |
98.7 |
2.8 |
0.480 |
6 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[EDO]A:520 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
14995 |
96.0 |
2.9 |
0.490 |
3 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[ACT]A:530 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
14995 |
94.3 |
0.2 |
0.763 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[EDO]A:527 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
14995 |
91.3 |
2.2 |
0.278 |
2 |
0 |
0 |
0.000 |
| 18 |
18 |
|
A |
13 |
6 |
14995 |
◊ |
[EDO]A:509 |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
4 |
1 |
185 |
90.1 |
1.7 |
0.203 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[EDO]A:516 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
14995 |
87.1 |
3.0 |
0.518 |
1 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[EDO]A:522 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
14995 |
84.5 |
2.8 |
0.305 |
4 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[EDO]A:511 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
14995 |
83.6 |
2.4 |
0.290 |
5 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[EDO]A:519 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
14995 |
83.4 |
2.5 |
0.302 |
2 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[EDO]A:513 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
14995 |
81.1 |
1.9 |
0.258 |
3 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[EDO]A:524 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
14995 |
72.9 |
1.5 |
0.217 |
0 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[EDO]A:517 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14995 |
71.9 |
2.6 |
0.312 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[EDO]A:513 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
8 |
3 |
14995 |
69.9 |
2.2 |
0.293 |
1 |
0 |
0 |
0.000 |
| 27 |
27 |
|
A |
9 |
4 |
14995 |
f |
[EDO]A:515 |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
4 |
1 |
185 |
66.4 |
1.7 |
0.898 |
4 |
0 |
0 |
0.000 |
| 28 |
28 |
|
A |
10 |
4 |
14995 |
◊ |
[EDO]A:525 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
4 |
1 |
182 |
65.6 |
1.2 |
0.674 |
2 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[ACT]A:529 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14995 |
64.4 |
-0.5 |
0.580 |
0 |
0 |
0 |
0.003 |
| 30 |
30 |
|
[EDO]A:526 |
4 |
1 |
183 |
◊ |
A |
-y-1,-x-1,-z-1/2 |
8_444 |
7 |
3 |
14995 |
55.8 |
1.9 |
0.897 |
1 |
0 |
0 |
0.000 |
| 31 |
31 |
|
[EDO]A:509 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14995 |
51.2 |
1.4 |
0.769 |
1 |
0 |
0 |
0.000 |
| 32 |
32 |
|
[EDO]A:515 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14995 |
49.5 |
1.6 |
0.948 |
0 |
0 |
0 |
0.000 |
| 33 |
33 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14995 |
48.9 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.138 |
| 34 |
34 |
|
[EDO]A:526 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
14995 |
46.4 |
2.0 |
0.304 |
0 |
0 |
0 |
0.000 |
| 35 |
35 |
|
[ZN]A:507 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14995 |
45.3 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.097 |
| 36 |
36 |
|
[ZN]A:506 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
14995 |
44.0 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.119 |
| 37 |
37 |
|
A |
8 |
4 |
14995 |
◊ |
[EDO]A:524 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
4 |
1 |
184 |
42.4 |
0.7 |
0.620 |
1 |
0 |
0 |
0.000 |
| 38 |
38 |
|
[ZN]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14995 |
41.6 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.107 |
| 39 |
39 |
|
[ZN]A:503 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
14995 |
41.2 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.123 |
| 40 |
40 |
|
A |
2 |
2 |
14995 |
◊ |
[ACT]A:529 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
3 |
1 |
182 |
40.0 |
-0.4 |
0.400 |
0 |
0 |
0 |
0.000 |
| 41 |
41 |
|
[EDO]A:525 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
14995 |
39.6 |
0.7 |
0.614 |
0 |
0 |
0 |
0.000 |
| 42 |
42 |
|
[EDO]A:522 |
3 |
1 |
184 |
f |
[EDO]A:516 |
x,y,z |
1_555 |
3 |
1 |
183 |
36.5 |
2.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 43 |
43 |
|
[EDO]A:525 |
4 |
1 |
182 |
f |
[EDO]A:524 |
x,y,z |
1_555 |
3 |
1 |
184 |
36.3 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 44 |
44 |
|
A |
2 |
1 |
14995 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
2 |
1 |
14995 |
36.0 |
-1.1 |
0.084 |
0 |
0 |
0 |
0.000 |
| 45 |
45 |
|
[EDO]A:520 |
2 |
1 |
184 |
f |
[EDO]A:516 |
x,y,z |
1_555 |
2 |
1 |
183 |
35.8 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 46 |
46 |
|
[ZN]A:505 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
14995 |
33.9 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.089 |
| 47 |
47 |
|
A |
4 |
2 |
14995 |
f |
[ZN]A:502 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
1 |
1 |
98 |
33.7 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.083 |
| 48 |
48 |
|
[EDO]A:517 |
4 |
1 |
184 |
f |
[ZN]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.7 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.082 |
| 49 |
49 |
|
A |
3 |
1 |
14995 |
◊ |
[EDO]A:512 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
3 |
1 |
184 |
33.0 |
1.4 |
0.929 |
0 |
0 |
0 |
0.000 |
| 50 |
50 |
|
[EDO]A:517 |
2 |
1 |
184 |
f |
[EDO]A:511 |
x,y,z |
1_555 |
3 |
1 |
184 |
31.5 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 51 |
51 |
|
[ZN]A:502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14995 |
31.3 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 52 |
52 |
|
[ACT]A:530 |
2 |
1 |
183 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.131 |
53 |
|
[ACT]A:528 |
3 |
1 |
180 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.131 |
| Average: |
30.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.131 |
| 53 |
54 |
|
[IMD]A:532 |
3 |
1 |
197 |
f |
[ACT]A:531 |
x,y,z |
1_555 |
2 |
1 |
182 |
28.5 |
0.6 |
0.179 |
0 |
0 |
0 |
0.000 |
| 54 |
55 |
|
[EDO]A:514 |
4 |
1 |
184 |
f |
A |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
4 |
1 |
14995 |
26.4 |
1.0 |
0.879 |
0 |
0 |
0 |
0.000 |
| 55 |
56 |
|
[ACT]A:531 |
3 |
1 |
182 |
f |
[ZN]A:507 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.056 |
| 56 |
57 |
|
[IMD]A:532 |
2 |
1 |
197 |
f |
[ZN]A:507 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.8 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.047 |
| 57 |
58 |
|
[EDO]A:526 |
2 |
1 |
183 |
◊ |
[EDO]A:511 |
x,y,z |
1_555 |
3 |
1 |
184 |
19.9 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 58 |
59 |
|
A |
2 |
1 |
14995 |
f |
[EDO]A:518 |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
4 |
1 |
184 |
19.9 |
1.3 |
0.982 |
0 |
0 |
0 |
0.000 |
| 59 |
60 |
|
A |
4 |
2 |
14995 |
◊ |
[ZN]A:504 |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
1 |
1 |
98 |
17.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 60 |
61 |
|
[EDO]A:526 |
2 |
1 |
183 |
◊ |
[EDO]A:517 |
-y-1,-x-1,-z-1/2 |
8_444 |
2 |
1 |
184 |
16.4 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 61 |
62 |
|
[EDO]A:519 |
1 |
1 |
186 |
◊ |
[ZN]A:502 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
1 |
1 |
98 |
14.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.026 |
| 62 |
63 |
|
[EDO]A:522 |
2 |
1 |
184 |
f |
[EDO]A:512 |
x,y,z |
1_555 |
3 |
1 |
184 |
14.3 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 63 |
64 |
|
[ACT]A:530 |
1 |
1 |
183 |
f |
[ZN]A:506 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.030 |
| 64 |
65 |
|
[EDO]A:524 |
1 |
1 |
184 |
f |
[EDO]A:517 |
x,y,z |
1_555 |
1 |
1 |
184 |
11.8 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 65 |
66 |
|
[EDO]A:527 |
2 |
1 |
183 |
◊ |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 66 |
67 |
|
[EDO]A:526 |
1 |
1 |
183 |
f |
[EDO]A:526 |
-y-1,-x-1,-z-1/2 |
8_444 |
1 |
1 |
183 |
7.6 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 67 |
68 |
|
[EDO]A:525 |
2 |
1 |
182 |
f |
[EDO]A:517 |
x,y,z |
1_555 |
2 |
1 |
184 |
6.3 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 68 |
69 |
|
[ZN]A:506 |
1 |
1 |
98 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.025 |
| 69 |
70 |
|
[EDO]A:511 |
2 |
1 |
184 |
f |
[ZN]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 70 |
71 |
|
[EDO]A:525 |
1 |
1 |
182 |
f |
[ZN]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 71 |
72 |
|
A |
1 |
1 |
14995 |
◊ |
[EDO]A:527 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
2 |
1 |
183 |
4.0 |
0.1 |
0.897 |
0 |
0 |
0 |
0.000 |
| 72 |
73 |
|
A |
2 |
1 |
14995 |
x |
A |
x,y-1,z |
1_545 |
1 |
1 |
14995 |
3.5 |
0.2 |
0.761 |
0 |
0 |
0 |
0.000 |
| 73 |
74 |
|
[EDO]A:524 |
1 |
1 |
184 |
f |
[ZN]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
|