| ## |
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 |
417 |
118 |
20104 |
◊ |
A |
x,y,z |
1_555 |
413 |
116 |
20012 |
3850.2 |
-52.8 |
0.031 |
60 |
7 |
0 |
0.858 |
2 |
|
D |
408 |
114 |
18787 |
◊ |
C |
x,y,z |
1_555 |
397 |
115 |
19795 |
3815.0 |
-53.8 |
0.040 |
68 |
6 |
0 |
0.858 |
| Average: |
3832.6 |
-53.3 |
0.036 |
64 |
7 |
0 |
0.858 |
| 2 |
3 |
|
C |
133 |
43 |
19795 |
◊ |
B |
x,y,z |
1_555 |
127 |
40 |
20104 |
1265.3 |
-14.8 |
0.187 |
16 |
16 |
0 |
0.742 |
4 |
|
D |
126 |
40 |
18787 |
◊ |
A |
x,y,z |
1_555 |
131 |
42 |
20012 |
1244.5 |
-16.1 |
0.148 |
20 |
15 |
0 |
0.742 |
| Average: |
1254.9 |
-15.5 |
0.168 |
18 |
16 |
0 |
0.742 |
| 3 |
5 |
|
D |
60 |
21 |
18787 |
◊ |
B |
x,y,z |
1_555 |
60 |
21 |
20104 |
600.3 |
-12.7 |
0.032 |
3 |
0 |
0 |
0.103 |
6 |
|
C |
61 |
21 |
19795 |
◊ |
A |
x,y,z |
1_555 |
56 |
19 |
20012 |
599.4 |
-12.9 |
0.023 |
3 |
0 |
0 |
0.103 |
| Average: |
599.9 |
-12.8 |
0.028 |
3 |
0 |
0 |
0.103 |
| 4 |
7 |
|
[8HI]B:1 |
40 |
1 |
859 |
f |
A |
x,y,z |
1_555 |
51 |
17 |
20012 |
425.0 |
-3.5 |
0.257 |
4 |
0 |
0 |
0.273 |
8 |
|
[8HI]A:2 |
41 |
1 |
858 |
f |
B |
x,y,z |
1_555 |
49 |
16 |
20104 |
414.9 |
-2.9 |
0.308 |
4 |
0 |
0 |
0.273 |
9 |
|
[8HI]D:3 |
41 |
1 |
857 |
f |
C |
x,y,z |
1_555 |
45 |
16 |
19795 |
403.3 |
-2.7 |
0.305 |
4 |
0 |
0 |
0.273 |
10 |
|
[8HI]C:4 |
39 |
1 |
862 |
f |
D |
x,y,z |
1_555 |
43 |
16 |
18787 |
395.2 |
-2.4 |
0.330 |
4 |
0 |
0 |
0.273 |
| Average: |
409.6 |
-2.9 |
0.300 |
4 |
0 |
0 |
0.273 |
| 5 |
11 |
|
B |
46 |
15 |
20104 |
◊ |
D |
x,y,z-1 |
1_554 |
41 |
8 |
18787 |
408.8 |
0.7 |
0.796 |
7 |
2 |
0 |
0.000 |
| 6 |
12 |
|
D |
34 |
9 |
18787 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
47 |
14 |
20104 |
356.2 |
-0.8 |
0.688 |
8 |
2 |
0 |
0.000 |
| 7 |
13 |
|
C |
33 |
13 |
19795 |
x |
C |
x-1,y,z-1 |
1_454 |
38 |
12 |
19795 |
329.9 |
-2.0 |
0.522 |
1 |
0 |
0 |
0.000 |
| 8 |
14 |
|
B |
37 |
8 |
20104 |
x |
B |
x-1,y,z-1 |
1_454 |
42 |
8 |
20104 |
302.9 |
-2.8 |
0.503 |
2 |
2 |
0 |
0.000 |
| 9 |
15 |
|
A |
25 |
9 |
20012 |
◊ |
D |
x-1,y,z-1 |
1_454 |
31 |
12 |
18787 |
258.6 |
-0.2 |
0.714 |
2 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[8HI]D:3 |
16 |
1 |
857 |
◊ |
D |
x,y,z |
1_555 |
25 |
11 |
18787 |
224.1 |
-0.2 |
0.494 |
9 |
0 |
0 |
0.060 |
17 |
|
[8HI]B:1 |
16 |
1 |
859 |
◊ |
B |
x,y,z |
1_555 |
22 |
11 |
20104 |
203.4 |
1.5 |
0.650 |
8 |
0 |
0 |
0.060 |
18 |
|
[8HI]C:4 |
16 |
1 |
862 |
◊ |
C |
x,y,z |
1_555 |
24 |
10 |
19795 |
202.9 |
1.8 |
0.665 |
8 |
0 |
0 |
0.060 |
19 |
|
[8HI]A:2 |
16 |
1 |
858 |
◊ |
A |
x,y,z |
1_555 |
26 |
12 |
20012 |
202.2 |
2.3 |
0.694 |
8 |
0 |
0 |
0.060 |
| Average: |
208.2 |
1.4 |
0.625 |
8 |
0 |
0 |
0.060 |
| 11 |
20 |
|
B |
21 |
6 |
20104 |
◊ |
C |
x-1,y,z-1 |
1_454 |
19 |
7 |
19795 |
204.7 |
0.5 |
0.754 |
2 |
0 |
0 |
0.000 |
| 12 |
21 |
|
C |
18 |
3 |
19795 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
20 |
7 |
20012 |
160.7 |
1.1 |
0.798 |
2 |
3 |
0 |
0.000 |
| 13 |
22 |
|
B |
14 |
4 |
20104 |
◊ |
A |
x-1,y,z-1 |
1_454 |
20 |
5 |
20012 |
146.9 |
-0.6 |
0.602 |
1 |
0 |
0 |
0.000 |
| 14 |
23 |
|
D |
20 |
4 |
18787 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
5 |
20104 |
119.1 |
-1.7 |
0.367 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
C |
15 |
6 |
19795 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
11 |
5 |
20104 |
107.8 |
-0.8 |
0.546 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
D |
14 |
4 |
18787 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
7 |
2 |
20012 |
67.4 |
0.8 |
0.779 |
1 |
0 |
0 |
0.000 |
| 17 |
26 |
|
C |
6 |
2 |
19795 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
20012 |
62.4 |
0.2 |
0.676 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
D |
6 |
3 |
18787 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
19795 |
42.3 |
0.6 |
0.684 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
C |
5 |
2 |
19795 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
20012 |
20.2 |
0.6 |
0.733 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
B |
3 |
3 |
20104 |
◊ |
D |
x-1,y,z-1 |
1_454 |
3 |
2 |
18787 |
18.7 |
0.6 |
0.817 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[8HI]B:1 |
1 |
1 |
859 |
◊ |
D |
x-1,y,z-1 |
1_454 |
1 |
1 |
18787 |
14.7 |
-0.1 |
0.341 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
C |
3 |
1 |
19795 |
x |
C |
x,y,z-1 |
1_554 |
1 |
1 |
19795 |
14.0 |
0.4 |
0.827 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
C |
3 |
2 |
19795 |
x |
C |
x-1,y,z |
1_455 |
3 |
1 |
19795 |
13.7 |
-0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
A |
3 |
2 |
20012 |
x |
A |
x-1,y,z-1 |
1_454 |
2 |
1 |
20012 |
7.6 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
|