| ## |
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 |
145 |
34 |
12431 |
x |
B |
-y+1,x,z |
3_655 |
145 |
36 |
12431 |
1356.6 |
-15.5 |
0.177 |
18 |
6 |
0 |
0.322 |
2 |
|
A |
142 |
34 |
12357 |
x |
A |
-y+2,x,z |
3_755 |
141 |
36 |
12357 |
1315.7 |
-15.4 |
0.193 |
21 |
9 |
0 |
0.322 |
| Average: |
1336.2 |
-15.4 |
0.185 |
20 |
8 |
0 |
0.322 |
| 2 |
3 |
|
B |
58 |
19 |
12431 |
◊ |
A |
-y+1,x,z |
3_655 |
61 |
16 |
12357 |
519.2 |
-4.0 |
0.475 |
6 |
6 |
0 |
0.000 |
| 3 |
4 |
|
B |
31 |
7 |
12431 |
◊ |
A |
-y+1,x,z-1 |
3_654 |
26 |
11 |
12357 |
236.6 |
-1.0 |
0.626 |
2 |
3 |
0 |
0.000 |
| 4 |
5 |
|
[CIT]A:1278 |
9 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
12357 |
129.2 |
1.3 |
0.414 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[EDO]A:1280 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
12357 |
115.4 |
3.4 |
0.520 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[EDO]B:1278 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
12431 |
102.2 |
3.9 |
0.540 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[EDO]B:1277 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
12431 |
99.8 |
3.0 |
0.647 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
13 |
5 |
12431 |
◊ |
[EDO]B:1279 |
-y+1,x,z |
3_655 |
4 |
1 |
182 |
83.4 |
2.5 |
0.297 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
13 |
5 |
12357 |
◊ |
[EDO]A:1279 |
-y+2,x,z |
3_755 |
4 |
1 |
182 |
82.7 |
2.6 |
0.296 |
0 |
0 |
0 |
0.000 |
| Average: |
83.1 |
2.5 |
0.296 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
B |
9 |
3 |
12431 |
◊ |
[CIT]A:1278 |
-y+1,x,z-1 |
3_654 |
7 |
1 |
306 |
75.2 |
-0.0 |
0.358 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]A:1281 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12357 |
73.3 |
1.7 |
0.253 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
B |
8 |
3 |
12431 |
◊ |
[EDO]A:1281 |
-y+1,x,z |
3_655 |
4 |
1 |
186 |
63.2 |
1.4 |
0.620 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[ZN]B:1275 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
12431 |
50.5 |
-37.3 |
0.000 |
0 |
0 |
0 |
0.492 |
15 |
|
[ZN]A:1275 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12357 |
49.5 |
-35.2 |
0.000 |
0 |
0 |
0 |
0.492 |
| Average: |
50.0 |
-36.3 |
0.000 |
0 |
0 |
0 |
0.492 |
| 13 |
16 |
|
[EDO]B:1280 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
12431 |
48.3 |
1.6 |
0.281 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[EDO]A:1282 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
12357 |
47.6 |
1.5 |
0.285 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[EDO]B:1279 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12431 |
47.2 |
1.1 |
0.769 |
1 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:1279 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12357 |
46.1 |
1.1 |
0.781 |
1 |
0 |
0 |
0.000 |
| Average: |
46.6 |
1.1 |
0.775 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[EDO]B:1280 |
4 |
1 |
185 |
◊ |
B |
-y+1,x,z |
3_655 |
6 |
3 |
12431 |
44.3 |
1.1 |
0.775 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[EDO]A:1282 |
4 |
1 |
183 |
◊ |
A |
-y+2,x,z |
3_755 |
6 |
3 |
12357 |
43.2 |
1.0 |
0.787 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[ZN]B:1276 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12431 |
36.2 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.286 |
| 19 |
23 |
|
[CA]A:1276 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12357 |
35.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.094 |
| 20 |
24 |
|
[EDO]B:1277 |
4 |
1 |
183 |
f |
B |
-y+1,x,z |
3_655 |
3 |
1 |
12431 |
35.3 |
0.7 |
0.829 |
1 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[EDO]B:1280 |
3 |
1 |
185 |
fx |
[EDO]B:1280 |
-y+1,x,z |
3_655 |
2 |
1 |
185 |
34.3 |
1.2 |
1.000 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[ZN]B:1276 |
1 |
1 |
98 |
◊ |
A |
-y+1,x,z |
3_655 |
5 |
2 |
12357 |
34.1 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
6 |
2 |
12431 |
◊ |
[ZN]A:1277 |
-y+1,x,z-1 |
3_654 |
1 |
1 |
98 |
31.5 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
32.8 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[EDO]A:1282 |
3 |
1 |
183 |
fx |
[EDO]A:1282 |
-y+2,x,z |
3_755 |
2 |
1 |
183 |
32.8 |
1.2 |
1.000 |
1 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[CIT]A:1278 |
3 |
1 |
306 |
f |
[CA]A:1276 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.046 |
| 25 |
30 |
|
[CIT]A:1278 |
3 |
1 |
306 |
f |
[ZN]A:1277 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.103 |
| 26 |
31 |
|
[ZN]A:1277 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12357 |
26.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.134 |
| 27 |
32 |
|
[EDO]A:1282 |
1 |
1 |
183 |
f |
[EDO]A:1282 |
-x+2,-y+2,z |
2_775 |
1 |
1 |
183 |
14.4 |
0.3 |
1.000 |
1 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[EDO]B:1280 |
1 |
1 |
185 |
f |
[EDO]B:1280 |
-x+1,-y+1,z |
2_665 |
1 |
1 |
185 |
13.7 |
0.3 |
1.000 |
1 |
0 |
0 |
0.000 |
| 29 |
34 |
|
B |
1 |
1 |
12431 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12357 |
4.5 |
0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
A |
2 |
1 |
12357 |
◊ |
[EDO]A:1282 |
-y+2,x,z |
3_755 |
1 |
1 |
183 |
3.7 |
0.1 |
0.850 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
A |
1 |
1 |
12357 |
◊ |
A |
-x+2,-y+2,z |
2_775 |
1 |
1 |
12357 |
2.1 |
-0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
1 |
1 |
12431 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
1 |
1 |
12431 |
1.2 |
-0.0 |
0.505 |
0 |
0 |
0 |
0.000 |
| Average: |
1.7 |
-0.1 |
0.466 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
B |
1 |
1 |
12431 |
◊ |
[EDO]B:1280 |
-y+1,x,z |
3_655 |
1 |
1 |
185 |
1.2 |
0.0 |
0.851 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[EDO]A:1282 |
1 |
1 |
183 |
◊ |
A |
-x+2,-y+2,z |
2_775 |
1 |
1 |
12357 |
1.0 |
0.0 |
0.849 |
0 |
0 |
0 |
0.000 |
|