| ## |
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 |
63 |
18 |
9646 |
◊ |
A |
x,y,z |
1_555 |
61 |
20 |
9339 |
667.0 |
-6.8 |
0.344 |
3 |
2 |
0 |
0.000 |
| 2 |
2 |
|
B |
67 |
19 |
9646 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
60 |
16 |
9339 |
598.7 |
-6.8 |
0.318 |
7 |
0 |
0 |
0.000 |
3 |
|
B |
55 |
15 |
9646 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
68 |
20 |
9339 |
562.1 |
-4.4 |
0.531 |
7 |
0 |
0 |
0.000 |
| Average: |
580.4 |
-5.6 |
0.424 |
7 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
31 |
12 |
9646 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
37 |
14 |
9339 |
334.8 |
-1.5 |
0.624 |
5 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
9646 |
117.5 |
3.4 |
0.707 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[EDO]B:505 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
9646 |
113.9 |
3.0 |
0.582 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[EDO]A:509 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
9339 |
113.6 |
2.9 |
0.430 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[EDO]A:506 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
9339 |
112.1 |
1.9 |
0.358 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]A:505 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
9339 |
110.3 |
2.7 |
0.444 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]A:503 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
9339 |
106.3 |
2.8 |
0.427 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]B:508 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
9646 |
99.5 |
1.4 |
0.229 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
B |
12 |
4 |
9646 |
◊ |
[DTT]A:510 |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
1 |
280 |
94.3 |
1.0 |
0.686 |
1 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]A:504 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
9339 |
90.9 |
2.9 |
0.522 |
1 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]A:507 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
9339 |
89.0 |
1.7 |
0.246 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
9646 |
88.5 |
2.8 |
0.308 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[DTT]A:510 |
4 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9339 |
65.5 |
-1.8 |
0.465 |
1 |
0 |
0 |
0.006 |
| 16 |
17 |
|
[EDO]B:507 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
9646 |
65.4 |
1.5 |
0.220 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]B:509 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
9646 |
61.9 |
1.3 |
0.798 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]A:508 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
9339 |
61.3 |
1.9 |
0.879 |
2 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]B:506 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
9646 |
54.3 |
0.9 |
0.677 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[EDO]B:503 |
4 |
1 |
184 |
◊ |
[DTT]A:510 |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
280 |
45.1 |
2.4 |
0.872 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
9339 |
44.2 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.103 |
23 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
9646 |
43.5 |
-33.5 |
0.000 |
0 |
0 |
0 |
0.103 |
| Average: |
43.9 |
-33.7 |
0.000 |
0 |
0 |
0 |
0.103 |
| 22 |
24 |
|
[EDO]A:506 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
9646 |
37.2 |
0.9 |
0.880 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[EDO]A:509 |
3 |
1 |
185 |
f |
[EDO]A:503 |
x,y,z |
1_555 |
3 |
1 |
183 |
35.7 |
1.9 |
1.000 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[EDO]B:508 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
9339 |
34.9 |
0.7 |
0.846 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[EDO]A:508 |
3 |
1 |
183 |
f |
[EDO]A:504 |
x,y,z |
1_555 |
2 |
1 |
183 |
34.3 |
1.6 |
1.000 |
1 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[EDO]A:507 |
3 |
1 |
184 |
◊ |
[EDO]A:505 |
x,y,z |
1_555 |
3 |
1 |
186 |
32.5 |
1.2 |
1.000 |
1 |
0 |
0 |
0.000 |
| 27 |
29 |
|
B |
3 |
2 |
9646 |
f |
[EDO]A:508 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
183 |
24.5 |
1.0 |
0.930 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
9646 |
16.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.020 |
31 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
9339 |
8.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
12.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| 29 |
32 |
|
[EDO]B:509 |
2 |
1 |
182 |
◊ |
[EDO]B:504 |
x,y,z |
1_555 |
3 |
1 |
184 |
16.5 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[EDO]B:509 |
2 |
1 |
182 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
9339 |
16.4 |
0.4 |
0.943 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[EDO]B:504 |
2 |
1 |
184 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.016 |
| 32 |
35 |
|
[EDO]A:505 |
2 |
1 |
186 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| 33 |
36 |
|
[EDO]B:509 |
1 |
1 |
182 |
f |
[EDO]A:507 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
184 |
7.5 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
B |
2 |
1 |
9646 |
◊ |
[EDO]A:505 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
186 |
3.4 |
0.0 |
0.777 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
B |
1 |
1 |
9646 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
9339 |
2.6 |
0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
|