| ## |
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 |
144 |
37 |
12152 |
x |
B |
-y+3/2,x+3/2,z |
3_665 |
141 |
37 |
12152 |
1348.6 |
-13.1 |
0.257 |
20 |
8 |
0 |
0.191 |
2 |
|
A |
142 |
36 |
12118 |
x |
A |
-y+3/2,x+1/2,z |
3_655 |
153 |
37 |
12118 |
1338.2 |
-14.2 |
0.257 |
17 |
7 |
0 |
0.191 |
| Average: |
1343.4 |
-13.6 |
0.257 |
19 |
8 |
0 |
0.191 |
| 2 |
3 |
|
A |
47 |
18 |
12118 |
◊ |
A |
y-1,x+1,-z-1 |
7_464 |
48 |
18 |
12118 |
508.5 |
-2.4 |
0.579 |
8 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
45 |
11 |
12152 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
12118 |
411.5 |
-1.0 |
0.693 |
3 |
1 |
0 |
0.011 |
| 4 |
5 |
|
B |
36 |
13 |
12152 |
◊ |
B |
y-1,x+1,-z-2 |
7_463 |
34 |
12 |
12152 |
357.1 |
-4.6 |
0.259 |
0 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[ACT]A:1281 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
12118 |
105.7 |
-0.7 |
0.579 |
4 |
0 |
0 |
0.024 |
7 |
|
[ACT]B:1278 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
12152 |
98.3 |
-0.7 |
0.557 |
5 |
0 |
0 |
0.024 |
| Average: |
102.0 |
-0.7 |
0.568 |
5 |
0 |
0 |
0.024 |
| 6 |
8 |
|
A |
12 |
4 |
12118 |
◊ |
B |
-x+1/2,y-1/2,-z-2 |
5_543 |
9 |
2 |
12152 |
89.9 |
-0.6 |
0.531 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
6 |
2 |
12152 |
◊ |
A |
y-1,x+1,-z-1 |
7_464 |
9 |
3 |
12118 |
79.9 |
-0.5 |
0.527 |
0 |
1 |
0 |
0.000 |
| 8 |
10 |
|
[ACT]A:1278 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12118 |
75.4 |
-1.3 |
0.350 |
2 |
0 |
0 |
0.018 |
| 9 |
11 |
|
[ACT]A:1280 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
12118 |
72.6 |
-0.5 |
0.631 |
0 |
0 |
0 |
0.002 |
| 10 |
12 |
|
B |
13 |
3 |
12152 |
◊ |
A |
y-1,x+1,-z-2 |
7_463 |
9 |
2 |
12118 |
65.3 |
-0.3 |
0.624 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[ACT]A:1279 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
12118 |
64.5 |
-0.9 |
0.486 |
1 |
0 |
0 |
0.006 |
| 12 |
14 |
|
[ACT]A:1278 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
12152 |
60.1 |
-0.6 |
0.556 |
1 |
0 |
0 |
0.005 |
| 13 |
15 |
|
[ZN]B:1277 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12152 |
48.6 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.256 |
16 |
|
[ZN]A:1277 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12118 |
48.5 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.256 |
| Average: |
48.5 |
-28.9 |
0.000 |
0 |
0 |
0 |
0.256 |
| 14 |
17 |
|
[ACT]A:1280 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
12152 |
38.5 |
-0.1 |
0.534 |
2 |
0 |
0 |
0.008 |
| 15 |
18 |
|
[ACT]A:1279 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12152 |
38.3 |
-0.1 |
0.577 |
1 |
0 |
0 |
0.005 |
| 16 |
19 |
|
[ZN]A:1275 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
12118 |
37.8 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.227 |
20 |
|
[ZN]B:1275 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
12152 |
35.4 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.227 |
| Average: |
36.6 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.227 |
| 17 |
21 |
|
[ZN]A:1276 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12118 |
32.3 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.149 |
| 18 |
22 |
|
[ACT]A:1281 |
3 |
1 |
183 |
f |
[ZN]A:1275 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.8 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.224 |
23 |
|
[ACT]B:1278 |
3 |
1 |
182 |
f |
[ZN]B:1275 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.224 |
24 |
|
[ACT]A:1279 |
3 |
1 |
182 |
f |
[ZN]B:1276 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.224 |
25 |
|
[ACT]A:1280 |
3 |
1 |
183 |
f |
[ZN]B:1276 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.224 |
26 |
|
[ACT]A:1278 |
3 |
1 |
182 |
f |
[ZN]A:1276 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.224 |
| Average: |
26.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.224 |
| 19 |
27 |
|
B |
3 |
1 |
12152 |
◊ |
[ACT]B:1278 |
-y+3/2,x+3/2,z |
3_665 |
3 |
1 |
182 |
29.5 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
28 |
|
[ACT]A:1281 |
1 |
1 |
183 |
◊ |
A |
-y+3/2,x+1/2,z |
3_655 |
4 |
1 |
12118 |
15.0 |
-0.0 |
0.685 |
0 |
0 |
0 |
0.000 |
| Average: |
22.2 |
-0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[ACT]A:1280 |
3 |
1 |
183 |
f |
[ACT]A:1279 |
x,y,z |
1_555 |
1 |
1 |
182 |
26.9 |
0.4 |
0.829 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[ZN]B:1276 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12152 |
26.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.088 |
| 22 |
31 |
|
[ZN]A:1276 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
12152 |
26.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.108 |
32 |
|
[ZN]B:1276 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12118 |
26.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
26.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.108 |
| 23 |
33 |
|
B |
4 |
3 |
12152 |
◊ |
A |
x-1/2,-y+5/2,-z-1 |
6_474 |
1 |
1 |
12118 |
11.4 |
-0.2 |
0.366 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
B |
2 |
1 |
12152 |
◊ |
[ZN]B:1275 |
-y+3/2,x+3/2,z |
3_665 |
1 |
1 |
98 |
8.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.025 |
35 |
|
[ZN]A:1275 |
1 |
1 |
98 |
◊ |
A |
-y+3/2,x+1/2,z |
3_655 |
1 |
1 |
12118 |
1.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
5.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.025 |
| 25 |
36 |
|
A |
1 |
1 |
12118 |
◊ |
A |
-x+1,-y+2,z |
2_675 |
1 |
1 |
12118 |
2.2 |
-0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
1 |
1 |
12152 |
◊ |
B |
-x,-y+3,z |
2_585 |
1 |
1 |
12152 |
1.7 |
-0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
| Average: |
1.9 |
-0.1 |
0.462 |
0 |
0 |
0 |
0.000 |
|