## |
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 |
234 |
69 |
15879 |
x |
A |
-y+1,x-y-1,z |
2_645 |
225 |
59 |
15879 |
2205.5 |
-15.5 |
0.250 |
35 |
15 |
0 |
0.280 |
2 |
|
F |
232 |
67 |
15822 |
x |
F |
-y+2,x-y,z |
2_755 |
222 |
58 |
15822 |
2176.3 |
-15.0 |
0.244 |
37 |
15 |
0 |
0.280 |
Average: |
2190.9 |
-15.2 |
0.247 |
36 |
15 |
0 |
0.280 |
2 |
3 |
|
[MES]F:505 |
11 |
1 |
342 |
f |
F |
x,y,z |
1_555 |
20 |
9 |
15822 |
149.8 |
4.1 |
0.190 |
0 |
0 |
0 |
0.000 |
3 |
4 |
|
[MES]A:510 |
9 |
1 |
335 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
15879 |
140.7 |
4.3 |
0.347 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
F |
11 |
6 |
15822 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
15879 |
104.8 |
0.1 |
0.640 |
0 |
2 |
0 |
0.000 |
6 |
|
F |
14 |
6 |
15822 |
◊ |
A |
-x+y+5/3,-x+4/3,z+1/3 |
6_665 |
11 |
5 |
15879 |
103.0 |
0.0 |
0.627 |
0 |
2 |
0 |
0.000 |
Average: |
103.9 |
0.1 |
0.634 |
0 |
2 |
0 |
0.000 |
5 |
7 |
|
[ZN]F:504 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
15822 |
52.6 |
-28.9 |
0.000 |
0 |
0 |
0 |
0.197 |
6 |
8 |
|
[ZN]A:506 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
15879 |
49.2 |
-30.4 |
0.000 |
0 |
0 |
0 |
0.256 |
9 |
|
[ZN]F:506 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
15822 |
48.5 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.256 |
Average: |
48.9 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.256 |
7 |
10 |
|
[CU]F:502 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
15822 |
47.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.062 |
11 |
|
[CU]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15879 |
47.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
47.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.062 |
8 |
12 |
|
[CU]F:502 |
1 |
1 |
125 |
◊ |
F |
-y+2,x-y,z |
2_755 |
8 |
4 |
15822 |
44.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.048 |
13 |
|
[CU]A:502 |
1 |
1 |
125 |
◊ |
A |
-y+1,x-y-1,z |
2_645 |
9 |
4 |
15879 |
43.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
44.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.048 |
9 |
14 |
|
[ZN]F:503 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
15822 |
41.6 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.167 |
15 |
|
[ZN]A:511 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15879 |
41.5 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.167 |
Average: |
41.6 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.167 |
10 |
16 |
|
F |
4 |
1 |
15822 |
x |
F |
-y+2,x-y+1,z |
2_765 |
4 |
2 |
15822 |
41.6 |
-1.0 |
0.227 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15879 |
38.7 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.192 |
18 |
|
[ZN]F:507 |
1 |
1 |
98 |
cf |
F |
x,y,z |
1_555 |
7 |
4 |
15822 |
37.9 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.192 |
Average: |
38.3 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.192 |
12 |
19 |
|
[ZN]F:507 |
1 |
1 |
98 |
◊ |
A |
-x+y+5/3,-x+4/3,z+1/3 |
6_665 |
4 |
2 |
15879 |
32.5 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
|
[ZN]A:503 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
15822 |
31.5 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
32.0 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
A |
3 |
1 |
15879 |
x |
A |
-y+2,x-y-1,z |
2_745 |
3 |
1 |
15879 |
30.8 |
0.5 |
0.801 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
[MES]A:510 |
6 |
1 |
335 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
15822 |
30.2 |
0.2 |
0.027 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[MES]F:505 |
5 |
1 |
342 |
◊ |
A |
-x+y+5/3,-x+4/3,z+1/3 |
6_665 |
4 |
2 |
15879 |
29.0 |
0.4 |
0.070 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[MES]A:510 |
2 |
1 |
335 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.020 |
17 |
25 |
|
[MES]F:505 |
2 |
1 |
342 |
f |
[ZN]F:507 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.009 |
18 |
26 |
|
F |
2 |
1 |
15822 |
◊ |
[ZN]F:506 |
-y+2,x-y,z |
2_755 |
1 |
1 |
98 |
2.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
19 |
27 |
|
[ZN]A:511 |
1 |
1 |
98 |
f |
[ZN]A:506 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.011 |
20 |
28 |
|
[ZN]F:506 |
1 |
1 |
98 |
f |
[ZN]F:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
|