| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
87 |
28 |
10946 |
x |
A |
-y-1/2,x+1/2,z+1/4 |
3_455 |
84 |
27 |
10946 |
771.9 |
-7.8 |
0.497 |
2 |
0 |
0 |
0.000 |
2 |
|
A |
56 |
20 |
10946 |
◊ |
A |
y-1,x+1,-z |
7_465 |
55 |
20 |
10946 |
532.6 |
-2.6 |
0.674 |
10 |
0 |
0 |
0.024 |
3 |
|
A |
63 |
18 |
10946 |
x |
A |
y-1,x,-z |
7_455 |
50 |
18 |
10946 |
521.9 |
-6.5 |
0.353 |
6 |
0 |
0 |
0.000 |
4 |
|
A |
33 |
10 |
10946 |
x |
A |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
34 |
13 |
10946 |
292.5 |
-4.0 |
0.395 |
0 |
0 |
0 |
0.000 |
5 |
|
[BEN]A:204 |
9 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
10946 |
172.3 |
3.0 |
0.226 |
3 |
0 |
0 |
0.000 |
6 |
|
[BEN]A:202 |
9 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
10946 |
158.7 |
5.0 |
0.569 |
0 |
0 |
0 |
0.000 |
7 |
|
A |
16 |
7 |
10946 |
x |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
18 |
8 |
10946 |
154.6 |
-0.9 |
0.593 |
0 |
0 |
0 |
0.000 |
8 |
|
[BEN]A:201 |
9 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
10946 |
140.0 |
2.5 |
0.270 |
3 |
0 |
0 |
0.000 |
9 |
|
[BEN]A:203 |
9 |
1 |
281 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
10946 |
137.4 |
3.4 |
0.276 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
14 |
5 |
10946 |
x |
A |
-x-1,-y,z-1/2 |
2_454 |
14 |
5 |
10946 |
117.1 |
-0.7 |
0.594 |
1 |
2 |
0 |
0.000 |
11 |
|
[BEN]A:203 |
9 |
1 |
281 |
◊ |
A |
-y-1/2,x+1/2,z+1/4 |
3_455 |
18 |
7 |
10946 |
97.3 |
1.4 |
0.066 |
1 |
0 |
0 |
0.000 |
12 |
|
[DMS]A:208 |
4 |
1 |
209 |
◊ |
A |
-y-1/2,x+1/2,z+1/4 |
3_455 |
14 |
7 |
10946 |
85.0 |
1.9 |
0.522 |
0 |
0 |
0 |
0.000 |
13 |
|
[BEN]A:201 |
7 |
1 |
278 |
◊ |
A |
y-1,x+1,-z |
7_465 |
13 |
7 |
10946 |
82.3 |
1.2 |
0.155 |
0 |
0 |
0 |
0.000 |
14 |
|
[CL]A:206 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10946 |
70.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.102 |
15 |
|
A |
8 |
3 |
10946 |
x |
A |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
7 |
3 |
10946 |
69.6 |
-1.8 |
0.237 |
0 |
0 |
0 |
0.000 |
16 |
|
[DMS]A:207 |
4 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
10946 |
66.0 |
1.2 |
0.505 |
0 |
0 |
0 |
0.000 |
17 |
|
[DMS]A:207 |
4 |
1 |
210 |
◊ |
A |
y-1,x+1,-z |
7_465 |
16 |
6 |
10946 |
59.7 |
0.7 |
0.495 |
0 |
0 |
0 |
0.000 |
18 |
|
[DMS]A:207 |
4 |
1 |
210 |
◊ |
[DMS]A:207 |
y-1,x+1,-z |
7_465 |
4 |
1 |
210 |
53.2 |
1.3 |
0.246 |
0 |
0 |
0 |
0.000 |
19 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10946 |
44.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.064 |
20 |
|
[BEN]A:202 |
5 |
1 |
278 |
◊ |
A |
y-1,x,-z |
7_455 |
3 |
2 |
10946 |
43.7 |
0.4 |
0.077 |
0 |
0 |
0 |
0.000 |
21 |
|
[DMS]A:208 |
3 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
10946 |
37.9 |
0.6 |
0.440 |
0 |
0 |
0 |
0.000 |
22 |
|
[BEN]A:204 |
7 |
1 |
278 |
◊ |
A |
-y-1/2,x+1/2,z+1/4 |
3_455 |
3 |
1 |
10946 |
33.8 |
0.3 |
0.022 |
0 |
0 |
0 |
0.000 |
23 |
|
[DMS]A:208 |
3 |
1 |
209 |
f |
[BEN]A:202 |
x,y,z |
1_555 |
3 |
1 |
278 |
33.7 |
-0.3 |
0.044 |
1 |
0 |
0 |
0.008 |
24 |
|
A |
2 |
1 |
10946 |
f |
[BEN]A:204 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
4 |
1 |
278 |
32.4 |
-0.4 |
0.040 |
0 |
0 |
0 |
0.004 |
25 |
|
A |
6 |
3 |
10946 |
◊ |
[CL]A:206 |
-x-1,-y,z-1/2 |
2_454 |
1 |
1 |
125 |
23.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
[BEN]A:201 |
y-1,x+1,-z |
7_465 |
3 |
1 |
278 |
23.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.012 |
27 |
|
[DMS]A:208 |
2 |
1 |
209 |
◊ |
A |
y-1,x,-z |
7_455 |
3 |
2 |
10946 |
19.7 |
0.9 |
0.608 |
0 |
0 |
0 |
0.000 |
28 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
A |
y-1,x+1,-z |
7_465 |
4 |
3 |
10946 |
17.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
29 |
|
[DMS]A:207 |
1 |
1 |
210 |
f |
[CL]A:205 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
30 |
|
[DMS]A:207 |
1 |
1 |
210 |
◊ |
[CL]A:205 |
y-1,x+1,-z |
7_465 |
1 |
1 |
125 |
12.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
31 |
|
A |
1 |
1 |
10946 |
◊ |
[BEN]A:204 |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
1 |
1 |
278 |
3.3 |
-0.0 |
0.299 |
0 |
0 |
0 |
0.000 |
32 |
|
[BEN]A:204 |
2 |
1 |
278 |
f |
[BEN]A:203 |
x,y,z |
1_555 |
1 |
1 |
281 |
1.9 |
0.1 |
0.148 |
0 |
0 |
0 |
0.000 |
|