| ## |
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 |
|
C |
171 |
51 |
15223 |
◊ |
C |
x,-y,-z |
4_555 |
171 |
51 |
15223 |
1504.6 |
-16.0 |
0.289 |
12 |
4 |
0 |
0.221 |
2 |
|
B |
147 |
45 |
14831 |
◊ |
A |
x,y,z |
1_555 |
150 |
47 |
15145 |
1334.6 |
-13.3 |
0.370 |
13 |
3 |
1 |
0.221 |
| Average: |
1419.6 |
-14.6 |
0.329 |
13 |
4 |
1 |
0.221 |
| 2 |
3 |
|
D |
60 |
15 |
3099 |
◊ |
C |
x,y,z |
1_555 |
77 |
27 |
15223 |
681.2 |
-2.3 |
0.536 |
5 |
15 |
0 |
0.000 |
4 |
|
E |
56 |
14 |
3104 |
◊ |
A |
x,y,z |
1_555 |
79 |
28 |
15145 |
665.7 |
-0.6 |
0.662 |
5 |
16 |
0 |
0.000 |
| Average: |
673.4 |
-1.5 |
0.599 |
5 |
16 |
0 |
0.000 |
| 3 |
5 |
|
[ADP]C:401 |
27 |
1 |
557 |
cf |
C |
x,y,z |
1_555 |
45 |
19 |
15223 |
351.0 |
-5.4 |
0.618 |
8 |
0 |
0 |
0.163 |
6 |
|
[ADP]B:401 |
27 |
1 |
551 |
cf |
B |
x,y,z |
1_555 |
46 |
20 |
14831 |
349.6 |
-5.2 |
0.626 |
7 |
0 |
0 |
0.163 |
7 |
|
[ADP]A:401 |
27 |
1 |
556 |
cf |
A |
x,y,z |
1_555 |
48 |
21 |
15145 |
348.8 |
-5.5 |
0.643 |
8 |
0 |
0 |
0.163 |
| Average: |
349.8 |
-5.3 |
0.629 |
8 |
0 |
0 |
0.163 |
| 4 |
8 |
|
D |
19 |
7 |
3099 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
14831 |
209.2 |
-1.0 |
0.473 |
1 |
2 |
0 |
0.000 |
| 5 |
9 |
|
E |
12 |
6 |
3104 |
◊ |
D |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
14 |
6 |
3099 |
135.8 |
0.0 |
0.545 |
2 |
2 |
0 |
0.000 |
| 6 |
10 |
|
[ADP]A:401 |
9 |
1 |
556 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
14831 |
79.7 |
-1.0 |
0.613 |
0 |
0 |
0 |
0.014 |
11 |
|
[ADP]C:401 |
9 |
1 |
557 |
◊ |
C |
x,-y,-z |
4_555 |
15 |
5 |
15223 |
71.9 |
-0.7 |
0.647 |
0 |
0 |
0 |
0.014 |
12 |
|
[ADP]B:401 |
9 |
1 |
551 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
15145 |
65.1 |
-0.6 |
0.644 |
0 |
0 |
0 |
0.014 |
| Average: |
72.2 |
-0.7 |
0.635 |
0 |
0 |
0 |
0.014 |
| 7 |
13 |
|
A |
6 |
2 |
15145 |
◊ |
B |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
9 |
4 |
14831 |
75.6 |
0.6 |
0.797 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[ZN]C:363 |
1 |
1 |
98 |
cx |
C |
x,y,z |
1_555 |
2 |
2 |
15223 |
44.5 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.461 |
15 |
|
[ZN]B:363 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
2 |
2 |
15145 |
36.7 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.461 |
| Average: |
40.6 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.461 |
| 9 |
16 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
14831 |
43.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.127 |
17 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
15223 |
43.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.127 |
18 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
15145 |
43.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.127 |
| Average: |
43.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.127 |
| 10 |
19 |
|
[ZN]B:363 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14831 |
40.3 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.205 |
| 11 |
20 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[ADP]B:401 |
x,y,z |
1_555 |
4 |
1 |
551 |
30.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.087 |
21 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[ADP]A:401 |
x,y,z |
1_555 |
4 |
1 |
556 |
30.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.087 |
22 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
[ADP]C:401 |
x,y,z |
1_555 |
4 |
1 |
557 |
30.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.087 |
| Average: |
30.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.087 |
| 12 |
23 |
|
A |
2 |
1 |
15145 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
2 |
1 |
15145 |
14.8 |
-0.5 |
0.291 |
0 |
0 |
0 |
0.000 |
|