| ## |
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 |
334 |
95 |
23070 |
◊ |
A |
x,y,z |
1_555 |
343 |
98 |
23071 |
3023.5 |
-32.6 |
0.017 |
36 |
0 |
0 |
0.304 |
| 2 |
2 |
|
[DHE]A:602 |
46 |
1 |
851 |
f |
A |
x,y,z |
1_555 |
82 |
30 |
23071 |
616.3 |
-16.8 |
0.598 |
12 |
0 |
0 |
0.273 |
3 |
|
[DHE]B:602 |
47 |
1 |
849 |
f |
B |
x,y,z |
1_555 |
86 |
31 |
23070 |
595.4 |
-16.6 |
0.586 |
11 |
0 |
0 |
0.273 |
| Average: |
605.9 |
-16.7 |
0.592 |
12 |
0 |
0 |
0.273 |
| 3 |
4 |
|
[HEC]B:601 |
43 |
1 |
828 |
cf |
B |
x,y,z |
1_555 |
71 |
26 |
23070 |
602.8 |
-24.5 |
0.044 |
5 |
0 |
0 |
0.326 |
5 |
|
[HEC]A:601 |
43 |
1 |
829 |
cf |
A |
x,y,z |
1_555 |
66 |
25 |
23071 |
595.9 |
-23.5 |
0.062 |
4 |
0 |
0 |
0.326 |
| Average: |
599.4 |
-24.0 |
0.053 |
5 |
0 |
0 |
0.326 |
| 4 |
6 |
|
B |
50 |
16 |
23070 |
◊ |
B |
-x,-y,z |
2_555 |
50 |
16 |
23070 |
466.5 |
4.2 |
0.883 |
2 |
6 |
0 |
0.000 |
| 5 |
7 |
|
B |
45 |
12 |
23070 |
x |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
43 |
9 |
23070 |
376.4 |
-1.1 |
0.522 |
4 |
0 |
0 |
0.000 |
8 |
|
A |
43 |
9 |
23071 |
x |
A |
-x+1/2,y-1/2,-z |
3_545 |
48 |
13 |
23071 |
371.0 |
-1.1 |
0.528 |
4 |
0 |
0 |
0.000 |
| Average: |
373.7 |
-1.1 |
0.525 |
4 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[DHE]B:602 |
15 |
1 |
849 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
23071 |
110.3 |
-3.5 |
0.588 |
0 |
0 |
0 |
0.042 |
10 |
|
[DHE]A:602 |
13 |
1 |
851 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
23070 |
105.6 |
-3.3 |
0.584 |
0 |
0 |
0 |
0.042 |
| Average: |
107.9 |
-3.4 |
0.586 |
0 |
0 |
0 |
0.042 |
| 7 |
11 |
|
A |
13 |
3 |
23071 |
◊ |
A |
-x,-y,z |
2_555 |
13 |
3 |
23071 |
106.9 |
-2.5 |
0.164 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[HEC]A:601 |
3 |
1 |
829 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
23070 |
71.2 |
-1.6 |
0.473 |
0 |
0 |
0 |
0.019 |
13 |
|
[HEC]B:601 |
3 |
1 |
828 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
23071 |
70.0 |
-1.5 |
0.486 |
0 |
0 |
0 |
0.019 |
| Average: |
70.6 |
-1.5 |
0.479 |
0 |
0 |
0 |
0.019 |
| 9 |
14 |
|
[OH]B:603 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
23070 |
38.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
| 10 |
15 |
|
[OH]B:603 |
1 |
1 |
99 |
f |
[DHE]B:602 |
x,y,z |
1_555 |
16 |
1 |
849 |
32.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| 11 |
16 |
|
[OH]B:603 |
1 |
1 |
99 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
23071 |
15.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
|