## |
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 |
73 |
25 |
8496 |
◊ |
B |
-x+1/2,y-1/2,-z+3/4 |
5_545 |
71 |
26 |
8457 |
683.7 |
-0.9 |
0.780 |
13 |
4 |
0 |
0.000 |
2 |
2 |
|
C |
69 |
21 |
8598 |
◊ |
B |
-y+1/2,x+1/2,z-1/4 |
3_554 |
58 |
13 |
8457 |
616.6 |
0.2 |
0.798 |
17 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
44 |
14 |
8457 |
◊ |
A |
x,y,z |
1_555 |
54 |
17 |
8496 |
498.0 |
-5.2 |
0.333 |
5 |
0 |
0 |
0.000 |
4 |
4 |
|
C |
41 |
14 |
8598 |
◊ |
A |
x,y,z |
1_555 |
38 |
14 |
8496 |
344.1 |
-1.1 |
0.613 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
[HQQ]A:306 |
22 |
1 |
494 |
f |
A |
x,y,z |
1_555 |
56 |
19 |
8496 |
333.4 |
-0.6 |
0.436 |
3 |
0 |
0 |
0.004 |
6 |
|
[HQQ]C:306 |
22 |
1 |
493 |
f |
C |
x,y,z |
1_555 |
58 |
20 |
8598 |
333.0 |
-0.4 |
0.431 |
4 |
0 |
0 |
0.004 |
7 |
|
[HQQ]B:306 |
22 |
1 |
494 |
f |
B |
x,y,z |
1_555 |
56 |
18 |
8457 |
313.7 |
-1.0 |
0.403 |
4 |
0 |
0 |
0.004 |
Average: |
326.7 |
-0.7 |
0.423 |
4 |
0 |
0 |
0.004 |
6 |
8 |
|
B |
34 |
10 |
8457 |
◊ |
A |
y,x,-z+1 |
7_556 |
34 |
11 |
8496 |
308.8 |
-4.4 |
0.285 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
C |
25 |
11 |
8598 |
◊ |
B |
-x,-y+1,z-1/2 |
2_564 |
23 |
7 |
8457 |
170.4 |
-0.3 |
0.613 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
11 |
3 |
8496 |
◊ |
A |
y,x,-z+1 |
7_556 |
12 |
3 |
8496 |
147.3 |
0.0 |
0.695 |
4 |
0 |
0 |
0.000 |
9 |
11 |
|
[GOL]B:307 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
8457 |
137.2 |
-1.3 |
0.440 |
3 |
0 |
0 |
0.004 |
10 |
12 |
|
C |
15 |
5 |
8598 |
x |
C |
-y+1/2,x+1/2,z-1/4 |
3_554 |
15 |
3 |
8598 |
134.2 |
1.7 |
0.866 |
1 |
2 |
0 |
0.000 |
11 |
13 |
|
C |
10 |
5 |
8598 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
11 |
3 |
8496 |
101.8 |
-1.4 |
0.369 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[CA]B:305 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
8457 |
45.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.018 |
15 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
8496 |
45.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.018 |
16 |
|
[CA]C:305 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
8598 |
44.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
45.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.018 |
13 |
17 |
|
[CA]C:304 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
8598 |
45.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.019 |
18 |
|
[CA]A:304 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
8496 |
45.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.019 |
19 |
|
[CA]B:304 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
8457 |
45.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
45.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.019 |
14 |
20 |
|
[HQQ]B:306 |
3 |
1 |
494 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
8496 |
38.9 |
1.0 |
0.738 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
8598 |
37.5 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.039 |
22 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
8457 |
36.8 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.039 |
23 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
8496 |
35.8 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
36.7 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.039 |
16 |
24 |
|
[HQQ]A:306 |
8 |
1 |
494 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.022 |
25 |
|
[HQQ]C:306 |
6 |
1 |
493 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.022 |
26 |
|
[HQQ]B:306 |
6 |
1 |
494 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
31.4 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.022 |
17 |
27 |
|
[GOL]B:307 |
3 |
1 |
218 |
f |
[HQQ]B:306 |
x,y,z |
1_555 |
3 |
1 |
494 |
24.6 |
-0.6 |
0.341 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
A |
1 |
1 |
8496 |
◊ |
[CA]B:305 |
-x+1/2,y-1/2,-z+3/4 |
5_545 |
1 |
1 |
85 |
7.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[CA]A:305 |
1 |
1 |
85 |
◊ |
B |
-x+1/2,y-1/2,-z+3/4 |
5_545 |
1 |
1 |
8457 |
6.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
7.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
C |
1 |
1 |
8598 |
◊ |
[GOL]B:307 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
1 |
1 |
218 |
3.5 |
0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
|