| ## |
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 |
62 |
14 |
4085 |
◊ |
A |
-x,-y+1,z |
10_454 |
63 |
14 |
4085 |
611.5 |
-4.6 |
0.489 |
7 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
51 |
14 |
4040 |
◊ |
A |
y-1/2,x+1/2,-z+1/2 |
7_455 |
51 |
13 |
4085 |
454.4 |
-1.9 |
0.658 |
10 |
2 |
0 |
0.000 |
| 3 |
3 |
|
B |
37 |
9 |
4040 |
◊ |
A |
-y+1,x+1/2,z+1/4 |
3_655 |
35 |
10 |
4085 |
315.7 |
-1.6 |
0.631 |
7 |
0 |
0 |
0.000 |
4 |
|
B |
33 |
10 |
4040 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
4085 |
292.6 |
-1.4 |
0.596 |
8 |
0 |
0 |
0.000 |
| Average: |
304.1 |
-1.5 |
0.613 |
8 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
15 |
6 |
4040 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
14 |
4 |
4085 |
154.0 |
-0.4 |
0.558 |
4 |
1 |
0 |
0.000 |
| 5 |
6 |
|
A |
16 |
6 |
4085 |
◊ |
B |
-y+1/2,x,z-1/4 |
11_544 |
15 |
4 |
4040 |
127.5 |
-2.3 |
0.339 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[EDO]B:601 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
4040 |
108.2 |
3.2 |
0.507 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
9 |
3 |
4040 |
◊ |
B |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
9 |
3 |
4040 |
106.6 |
0.1 |
0.735 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]B:501 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
21 |
9 |
4040 |
106.5 |
3.0 |
0.691 |
4 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[NO3]A:66 |
4 |
1 |
167 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
4085 |
80.8 |
0.7 |
0.432 |
3 |
0 |
0 |
0.000 |
| 10 |
11 |
|
A |
7 |
2 |
4085 |
◊ |
A |
x,-y+3/2,-z+1/4 |
6_565 |
7 |
2 |
4085 |
74.8 |
-2.0 |
0.188 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[NO3]B:401 |
4 |
1 |
168 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
4040 |
67.1 |
0.4 |
0.409 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
B |
8 |
4 |
4040 |
◊ |
B |
-x+1,-y+1,z |
10_554 |
8 |
4 |
4040 |
59.3 |
0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
A |
8 |
4 |
4085 |
◊ |
[NO3]B:401 |
-y+1/2,x,z-1/4 |
11_544 |
4 |
1 |
168 |
58.1 |
0.7 |
0.789 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
4040 |
54.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.101 |
| 15 |
16 |
|
[NO3]A:66 |
3 |
1 |
167 |
◊ |
B |
y-1/2,x+1/2,-z+1/2 |
7_455 |
9 |
5 |
4040 |
49.4 |
0.1 |
0.085 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[CL]B:301 |
1 |
1 |
125 |
◊ |
A |
y-1/2,x+1/2,-z+1/2 |
7_455 |
7 |
3 |
4085 |
39.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]B:601 |
2 |
1 |
182 |
f |
[EDO]B:501 |
x,y,z |
1_555 |
2 |
1 |
186 |
30.4 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
B |
2 |
1 |
4040 |
◊ |
B |
-x,-y+1,z |
10_454 |
2 |
1 |
4040 |
19.1 |
1.1 |
0.939 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]B:601 |
2 |
1 |
182 |
f |
A |
y-1/2,x+1/2,-z+1/2 |
7_455 |
1 |
1 |
4085 |
7.8 |
0.3 |
0.894 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[NO3]B:401 |
1 |
1 |
168 |
f |
B |
-x+1,-y+1,z |
10_554 |
1 |
1 |
4040 |
3.9 |
0.1 |
0.888 |
0 |
0 |
0 |
0.000 |
|