| ## |
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 |
|
G |
69 |
16 |
2975 |
◊ |
A |
x,y,z |
1_555 |
68 |
17 |
4660 |
612.5 |
-10.8 |
0.085 |
5 |
0 |
0 |
0.125 |
2 |
|
E |
62 |
16 |
2867 |
◊ |
B |
x,y,z |
1_555 |
65 |
18 |
4646 |
608.7 |
-10.1 |
0.102 |
4 |
0 |
0 |
0.125 |
3 |
|
F |
64 |
15 |
2797 |
◊ |
C |
x,y,z |
1_555 |
61 |
17 |
4539 |
600.4 |
-10.2 |
0.131 |
3 |
0 |
0 |
0.125 |
| Average: |
607.2 |
-10.4 |
0.106 |
4 |
0 |
0 |
0.125 |
| 2 |
4 |
|
C |
42 |
11 |
4539 |
◊ |
B |
x,y,z |
1_555 |
41 |
11 |
4646 |
352.8 |
-2.2 |
0.435 |
2 |
1 |
0 |
0.000 |
| 3 |
5 |
|
F |
34 |
9 |
2797 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
4660 |
297.6 |
-0.1 |
0.593 |
3 |
1 |
0 |
0.000 |
| 4 |
6 |
|
B |
29 |
7 |
4646 |
◊ |
E |
-y,x-y+1,z+1/3 |
2_565 |
33 |
9 |
2867 |
267.0 |
0.6 |
0.709 |
7 |
1 |
0 |
0.000 |
7 |
|
G |
33 |
8 |
2975 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
27 |
7 |
4660 |
260.3 |
-0.6 |
0.598 |
6 |
0 |
0 |
0.000 |
8 |
|
F |
35 |
9 |
2797 |
◊ |
C |
-y,x-y,z+1/3 |
2_555 |
30 |
8 |
4539 |
256.8 |
-0.9 |
0.627 |
6 |
0 |
0 |
0.000 |
| Average: |
261.4 |
-0.3 |
0.645 |
6 |
0 |
0 |
0.000 |
| 5 |
9 |
|
G |
19 |
6 |
2975 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
26 |
8 |
4646 |
216.0 |
1.1 |
0.594 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
C |
14 |
5 |
4539 |
x |
C |
-y,x-y,z+1/3 |
2_555 |
19 |
6 |
4539 |
157.8 |
-0.0 |
0.596 |
2 |
0 |
0 |
0.000 |
11 |
|
B |
19 |
6 |
4646 |
x |
B |
-y,x-y+1,z+1/3 |
2_565 |
16 |
5 |
4646 |
155.2 |
0.3 |
0.504 |
1 |
0 |
0 |
0.000 |
| Average: |
156.5 |
0.1 |
0.550 |
2 |
0 |
0 |
0.000 |
| 7 |
12 |
|
A |
13 |
4 |
4660 |
x |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
20 |
6 |
4660 |
148.1 |
0.5 |
0.535 |
0 |
0 |
0 |
0.000 |
| 8 |
13 |
|
A |
16 |
6 |
4660 |
◊ |
E |
-y+1,x-y+1,z+1/3 |
2_665 |
15 |
6 |
2867 |
144.2 |
1.1 |
0.750 |
2 |
0 |
0 |
0.000 |
| 9 |
14 |
|
A |
18 |
6 |
4660 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
16 |
4 |
4646 |
127.9 |
1.0 |
0.522 |
2 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[K]E:802 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
2867 |
111.9 |
-85.4 |
0.000 |
0 |
0 |
0 |
0.799 |
16 |
|
[K]F:802 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
14 |
8 |
2797 |
110.8 |
-85.4 |
0.000 |
0 |
0 |
0 |
0.799 |
17 |
|
[K]G:802 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
16 |
8 |
2975 |
108.2 |
-82.1 |
0.000 |
0 |
0 |
0 |
0.799 |
| Average: |
110.3 |
-84.3 |
0.000 |
0 |
0 |
0 |
0.799 |
| 11 |
18 |
|
[EDO]A:101 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
4660 |
103.2 |
2.7 |
0.380 |
3 |
0 |
0 |
0.000 |
| 12 |
19 |
|
G |
13 |
5 |
2975 |
◊ |
C |
-y,x-y+1,z+1/3 |
2_565 |
10 |
4 |
4539 |
91.5 |
1.2 |
0.783 |
3 |
0 |
0 |
0.000 |
| 13 |
20 |
|
F |
6 |
2 |
2797 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4646 |
53.7 |
-0.7 |
0.424 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[EDO]A:101 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
8 |
3 |
2975 |
49.0 |
1.0 |
0.737 |
1 |
0 |
0 |
0.000 |
| 15 |
22 |
|
C |
7 |
3 |
4539 |
◊ |
G |
-y,x-y,z-2/3 |
2_554 |
6 |
2 |
2975 |
49.0 |
0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
A |
4 |
2 |
4660 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
6 |
2 |
4646 |
38.6 |
-0.1 |
0.493 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[ZN]G:801 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
4660 |
15.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.100 |
25 |
|
[ZN]F:801 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
4539 |
14.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.100 |
26 |
|
[ZN]E:801 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
4646 |
13.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
14.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 18 |
27 |
|
A |
1 |
1 |
4660 |
◊ |
F |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
2797 |
6.5 |
0.1 |
0.769 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[K]F:802 |
1 |
1 |
216 |
◊ |
[ZN]F:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.050 |
| 20 |
29 |
|
C |
3 |
1 |
4539 |
◊ |
E |
-y,x-y,z+1/3 |
2_555 |
2 |
1 |
2867 |
5.4 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[K]G:802 |
1 |
1 |
216 |
◊ |
[ZN]G:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.041 |
| 22 |
31 |
|
[K]E:802 |
1 |
1 |
216 |
◊ |
[ZN]E:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.037 |
| 23 |
32 |
|
[K]F:802 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4646 |
2.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
G |
1 |
1 |
2975 |
x |
G |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
2975 |
1.2 |
-0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
|