| ## |
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 |
|
D |
115 |
36 |
18325 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
112 |
31 |
17741 |
1134.4 |
-4.4 |
0.340 |
21 |
8 |
0 |
0.117 |
| 2 |
2 |
|
C |
115 |
23 |
5287 |
◊ |
B |
x,y,z |
1_555 |
116 |
22 |
5156 |
1041.2 |
-9.4 |
0.984 |
49 |
0 |
0 |
0.999 |
| 3 |
3 |
|
D |
74 |
25 |
18325 |
◊ |
A |
x,y,z |
1_555 |
83 |
22 |
17741 |
837.9 |
-2.6 |
0.463 |
8 |
1 |
0 |
0.000 |
| 4 |
4 |
|
C |
75 |
13 |
5287 |
◊ |
A |
x,y,z |
1_555 |
74 |
29 |
17741 |
690.2 |
-16.0 |
0.489 |
17 |
0 |
0 |
0.321 |
| 5 |
5 |
|
D |
65 |
20 |
18325 |
◊ |
A |
-x-1/2,-y-1,z-1/2 |
2_444 |
65 |
25 |
17741 |
603.9 |
2.6 |
0.791 |
12 |
7 |
0 |
0.000 |
| 6 |
6 |
|
B |
64 |
7 |
5156 |
◊ |
A |
x,y,z |
1_555 |
67 |
24 |
17741 |
582.4 |
-12.5 |
0.588 |
14 |
0 |
0 |
0.231 |
| 7 |
7 |
|
[IHP]A:801 |
35 |
1 |
627 |
f |
A |
x,y,z |
1_555 |
64 |
27 |
17741 |
470.5 |
-12.1 |
0.767 |
24 |
0 |
0 |
0.370 |
8 |
|
[IHP]D:801 |
34 |
1 |
618 |
f |
D |
x,y,z |
1_555 |
62 |
27 |
18325 |
460.8 |
-13.7 |
0.734 |
24 |
0 |
0 |
0.370 |
| Average: |
465.7 |
-12.9 |
0.751 |
24 |
0 |
0 |
0.370 |
| 8 |
9 |
|
[8AZ]B:12 |
19 |
1 |
454 |
◊ |
A |
x,y,z |
1_555 |
33 |
15 |
17741 |
233.8 |
0.3 |
0.553 |
3 |
0 |
0 |
0.013 |
| 9 |
10 |
|
A |
15 |
4 |
17741 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
3 |
5287 |
149.3 |
-2.5 |
0.492 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
A |
16 |
5 |
17741 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
4 |
5156 |
141.6 |
-3.5 |
0.436 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
C |
20 |
2 |
5287 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
14 |
1 |
5156 |
129.4 |
0.6 |
0.878 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[8AZ]B:12 |
10 |
1 |
454 |
cf |
B |
x,y,z |
1_555 |
13 |
2 |
5156 |
115.6 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.100 |
| 13 |
14 |
|
A |
14 |
5 |
17741 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
14 |
6 |
18325 |
114.8 |
0.2 |
0.615 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
D |
7 |
2 |
18325 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
14 |
3 |
5156 |
101.0 |
-0.9 |
0.731 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
B |
12 |
1 |
5156 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
15 |
1 |
5287 |
95.3 |
1.8 |
0.904 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
D |
5 |
1 |
18325 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
5287 |
59.2 |
-1.0 |
0.476 |
2 |
0 |
0 |
0.013 |
| 17 |
18 |
|
[ZN]D:802 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
18325 |
50.8 |
-38.5 |
0.000 |
0 |
0 |
0 |
0.514 |
19 |
|
[ZN]A:802 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
17741 |
35.7 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.514 |
| Average: |
43.2 |
-32.8 |
0.000 |
0 |
0 |
0 |
0.514 |
| 18 |
20 |
|
C |
4 |
1 |
5287 |
x |
C |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
1 |
5287 |
36.2 |
0.9 |
0.762 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
D |
2 |
1 |
18325 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
5287 |
32.7 |
-0.7 |
0.469 |
1 |
0 |
0 |
0.000 |
| 20 |
22 |
|
D |
6 |
3 |
18325 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
17741 |
30.3 |
1.0 |
0.830 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[8AZ]B:12 |
6 |
1 |
454 |
◊ |
[ZN]A:802 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.143 |
| 22 |
24 |
|
B |
5 |
1 |
5156 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
5156 |
18.5 |
-0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
D |
2 |
1 |
18325 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
5156 |
12.0 |
-0.9 |
0.270 |
0 |
0 |
0 |
0.005 |
| 24 |
26 |
|
A |
1 |
1 |
17741 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
5287 |
5.0 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
|