| ## |
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 |
509 |
131 |
22356 |
◊ |
A |
x,y,z |
1_555 |
514 |
132 |
22385 |
4959.0 |
-63.1 |
0.011 |
66 |
16 |
0 |
0.987 |
2 |
|
D |
497 |
126 |
22373 |
◊ |
C |
x,y,z |
1_555 |
487 |
127 |
22566 |
4824.1 |
-61.6 |
0.009 |
63 |
15 |
0 |
0.987 |
| Average: |
4891.6 |
-62.4 |
0.010 |
65 |
16 |
0 |
0.987 |
| 2 |
3 |
|
D |
84 |
22 |
22373 |
◊ |
B |
x,y,z |
1_555 |
85 |
22 |
22356 |
797.4 |
-7.3 |
0.369 |
9 |
4 |
0 |
0.110 |
4 |
|
C |
81 |
22 |
22566 |
◊ |
A |
x,y,z |
1_555 |
80 |
20 |
22385 |
770.4 |
-7.3 |
0.345 |
9 |
4 |
0 |
0.110 |
| Average: |
783.9 |
-7.3 |
0.357 |
9 |
4 |
0 |
0.110 |
| 3 |
5 |
|
D |
74 |
19 |
22373 |
◊ |
C |
-y+3/2,x-1/2,z-1/4 |
3_644 |
68 |
18 |
22566 |
513.8 |
-2.1 |
0.675 |
7 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
59 |
17 |
22356 |
◊ |
C |
-y+3/2,x-1/2,z-1/4 |
3_644 |
71 |
22 |
22566 |
505.2 |
-5.9 |
0.360 |
3 |
1 |
0 |
0.000 |
7 |
|
D |
51 |
18 |
22373 |
◊ |
A |
-y+3/2,x-1/2,z-1/4 |
3_644 |
41 |
14 |
22385 |
411.0 |
-2.9 |
0.495 |
1 |
1 |
0 |
0.000 |
| Average: |
458.1 |
-4.4 |
0.427 |
2 |
1 |
0 |
0.000 |
| 5 |
8 |
|
A |
40 |
14 |
22385 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
40 |
14 |
22385 |
413.4 |
-3.3 |
0.431 |
2 |
2 |
0 |
0.000 |
| 6 |
9 |
|
[THF]A:600 |
30 |
1 |
703 |
f |
A |
x,y,z |
1_555 |
47 |
18 |
22385 |
377.4 |
-0.8 |
0.373 |
5 |
0 |
0 |
0.100 |
| 7 |
10 |
|
[THF]B:601 |
30 |
1 |
709 |
f |
B |
x,y,z |
1_555 |
49 |
22 |
22356 |
366.6 |
1.5 |
0.538 |
6 |
0 |
0 |
0.100 |
| 8 |
11 |
|
[THF]D:602 |
28 |
1 |
697 |
f |
D |
x,y,z |
1_555 |
37 |
13 |
22373 |
297.3 |
0.7 |
0.445 |
5 |
0 |
0 |
0.100 |
| 9 |
12 |
|
[THF]A:600 |
22 |
1 |
703 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
22356 |
197.3 |
-0.3 |
0.388 |
1 |
0 |
0 |
0.007 |
| 10 |
13 |
|
[THF]B:601 |
18 |
1 |
709 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
22385 |
165.4 |
0.4 |
0.483 |
2 |
0 |
0 |
0.005 |
| 11 |
14 |
|
[THF]D:602 |
18 |
1 |
697 |
◊ |
C |
x,y,z |
1_555 |
22 |
5 |
22566 |
158.5 |
0.8 |
0.525 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
B |
13 |
8 |
22356 |
◊ |
D |
-y+1,-x+2,-z+1/2 |
8_675 |
13 |
7 |
22373 |
108.7 |
1.9 |
0.888 |
2 |
2 |
0 |
0.000 |
| 13 |
16 |
|
B |
8 |
3 |
22356 |
◊ |
C |
-y+1,-x+2,-z+1/2 |
8_675 |
8 |
2 |
22566 |
73.5 |
0.2 |
0.668 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
A |
11 |
5 |
22385 |
◊ |
D |
-y+1,-x+2,-z+1/2 |
8_675 |
12 |
4 |
22373 |
71.0 |
1.2 |
0.836 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
B |
7 |
2 |
22356 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
8 |
2 |
22385 |
60.4 |
-0.7 |
0.438 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
C |
6 |
3 |
22566 |
◊ |
B |
-x+3/2,y-1/2,-z+3/4 |
5_645 |
4 |
1 |
22356 |
45.7 |
1.1 |
0.822 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
C |
2 |
1 |
22566 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22356 |
18.1 |
0.4 |
0.845 |
0 |
0 |
0 |
0.000 |
21 |
|
D |
2 |
1 |
22373 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22385 |
18.0 |
0.4 |
0.848 |
0 |
0 |
0 |
0.000 |
| Average: |
18.1 |
0.4 |
0.846 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
B |
2 |
2 |
22356 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
2 |
2 |
22356 |
0.6 |
0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
|