| ## |
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 |
81 |
20 |
15106 |
◊ |
A |
x,y,z |
1_555 |
74 |
21 |
15329 |
712.0 |
-3.1 |
0.416 |
16 |
10 |
0 |
0.000 |
| 2 |
2 |
|
A |
46 |
15 |
15329 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
51 |
18 |
15106 |
416.9 |
-1.5 |
0.469 |
4 |
3 |
0 |
0.000 |
| 3 |
3 |
|
[CIO]A:603 |
24 |
1 |
557 |
f |
A |
x,y,z |
1_555 |
57 |
23 |
15329 |
390.1 |
-1.8 |
0.353 |
2 |
0 |
0 |
0.009 |
4 |
|
[CIO]B:601 |
24 |
1 |
555 |
f |
B |
x,y,z |
1_555 |
59 |
23 |
15106 |
388.8 |
-2.2 |
0.323 |
2 |
0 |
0 |
0.009 |
| Average: |
389.5 |
-2.0 |
0.338 |
2 |
0 |
0 |
0.009 |
| 4 |
5 |
|
A |
49 |
13 |
15329 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
35 |
11 |
15106 |
384.3 |
1.2 |
0.669 |
7 |
4 |
0 |
0.000 |
| 5 |
6 |
|
B |
23 |
6 |
15106 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
9 |
15106 |
236.4 |
1.1 |
0.626 |
5 |
1 |
0 |
0.000 |
| 6 |
7 |
|
B |
18 |
7 |
15106 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
26 |
8 |
15329 |
200.9 |
1.3 |
0.750 |
2 |
4 |
0 |
0.000 |
| 7 |
8 |
|
[EDO]B:711 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
15106 |
115.5 |
2.2 |
0.342 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]A:720 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
15329 |
111.9 |
3.6 |
0.566 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]A:712 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
15329 |
110.6 |
3.6 |
0.449 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]A:716 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
15329 |
106.8 |
3.4 |
0.557 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]A:704 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
15329 |
106.0 |
2.7 |
0.431 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]B:713 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
15106 |
104.3 |
4.2 |
0.536 |
2 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]B:717 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
15106 |
103.3 |
2.9 |
0.398 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]A:707 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
15329 |
100.4 |
3.1 |
0.469 |
5 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]A:715 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
15329 |
93.6 |
3.4 |
0.484 |
3 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]B:709 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
15106 |
91.9 |
1.7 |
0.212 |
2 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]B:701 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
15106 |
91.8 |
3.5 |
0.531 |
2 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]B:718 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
15106 |
91.2 |
2.3 |
0.248 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]B:710 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
15106 |
88.2 |
2.0 |
0.199 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
B |
10 |
4 |
15106 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
5 |
15329 |
87.2 |
-0.4 |
0.484 |
1 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]B:714 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
15106 |
86.1 |
2.5 |
0.375 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[EDO]A:702 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
15329 |
83.4 |
3.0 |
0.303 |
3 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[EDO]A:719 |
4 |
1 |
183 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
6 |
15106 |
80.3 |
2.6 |
0.314 |
3 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[EDO]B:721 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
15106 |
80.2 |
2.8 |
0.464 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
A |
11 |
4 |
15329 |
◊ |
[EDO]B:706 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
184 |
76.7 |
2.1 |
0.195 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[EDO]A:703 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15329 |
68.2 |
2.3 |
0.263 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[EDO]B:721 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
15329 |
67.9 |
0.3 |
0.136 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]A:719 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15329 |
67.8 |
2.3 |
0.281 |
1 |
0 |
0 |
0.000 |
| 29 |
30 |
|
A |
5 |
3 |
15329 |
◊ |
[EDO]B:705 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
182 |
60.9 |
2.1 |
0.272 |
1 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[MG]B:2002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
15106 |
55.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.021 |
32 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
15329 |
55.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
55.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.021 |
| 31 |
33 |
|
A |
7 |
2 |
15329 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
4 |
15329 |
55.3 |
2.0 |
0.899 |
1 |
1 |
0 |
0.000 |
| 32 |
34 |
|
[EDO]B:705 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
15106 |
49.0 |
0.6 |
0.617 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[EDO]B:706 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15106 |
48.6 |
1.6 |
0.835 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
A |
7 |
3 |
15329 |
◊ |
[EDO]B:714 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
183 |
46.5 |
1.2 |
0.781 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[ZN]B:2001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
15106 |
44.7 |
-33.3 |
0.000 |
0 |
0 |
0 |
0.107 |
38 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15329 |
44.3 |
-33.3 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
44.5 |
-33.3 |
0.000 |
0 |
0 |
0 |
0.107 |
| 36 |
39 |
|
[EDO]A:703 |
3 |
1 |
184 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
15106 |
44.4 |
0.8 |
0.804 |
1 |
0 |
0 |
0.000 |
| 37 |
40 |
|
[EDO]A:702 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15106 |
44.1 |
1.5 |
0.283 |
0 |
0 |
0 |
0.000 |
| 38 |
41 |
|
[EDO]B:718 |
3 |
1 |
184 |
f |
[EDO]B:717 |
x,y,z |
1_555 |
4 |
1 |
182 |
36.5 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
| 39 |
42 |
|
A |
3 |
1 |
15329 |
f |
[EDO]B:701 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
183 |
35.9 |
0.6 |
0.596 |
1 |
0 |
0 |
0.000 |
| 40 |
43 |
|
[EDO]B:713 |
3 |
1 |
184 |
f |
[EDO]B:701 |
x,y,z |
1_555 |
3 |
1 |
183 |
33.6 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 41 |
44 |
|
B |
5 |
2 |
15106 |
◊ |
[EDO]A:707 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
183 |
31.7 |
1.2 |
0.889 |
0 |
0 |
0 |
0.000 |
| 42 |
45 |
|
[EDO]B:706 |
2 |
1 |
184 |
f |
[EDO]B:705 |
x,y,z |
1_555 |
2 |
1 |
182 |
26.7 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 43 |
46 |
|
B |
3 |
2 |
15106 |
f |
[EDO]A:715 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
183 |
26.7 |
0.2 |
0.448 |
0 |
0 |
0 |
0.000 |
| 44 |
47 |
|
[EDO]A:715 |
1 |
1 |
183 |
◊ |
[EDO]A:707 |
x,y,z |
1_555 |
3 |
1 |
183 |
19.4 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
[EDO]B:718 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
15329 |
18.1 |
0.9 |
0.636 |
0 |
0 |
0 |
0.000 |
| 46 |
49 |
|
[CIO]A:603 |
2 |
1 |
557 |
f |
[MG]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.007 |
50 |
|
[CIO]B:601 |
3 |
1 |
555 |
f |
[MG]B:2002 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
12.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
| 47 |
51 |
|
[MG]B:2002 |
1 |
1 |
98 |
f |
[ZN]B:2001 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 48 |
52 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.021 |
| 49 |
53 |
|
[EDO]B:714 |
2 |
1 |
183 |
f |
[EDO]B:705 |
x,y,z |
1_555 |
3 |
1 |
182 |
13.2 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 50 |
54 |
|
B |
2 |
2 |
15106 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
15106 |
8.5 |
-0.2 |
0.337 |
0 |
0 |
0 |
0.000 |
| 51 |
55 |
|
[EDO]A:719 |
1 |
1 |
183 |
f |
[EDO]A:703 |
x,y,z |
1_555 |
1 |
1 |
184 |
5.6 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 52 |
56 |
|
[EDO]B:711 |
1 |
1 |
184 |
f |
[CIO]B:601 |
x,y,z |
1_555 |
1 |
1 |
555 |
3.9 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
| 53 |
57 |
|
[CIO]A:603 |
2 |
1 |
557 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.004 |
58 |
|
[CIO]B:601 |
2 |
1 |
555 |
f |
[ZN]B:2001 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
3.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.004 |
|