| ## |
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 |
|
H |
183 |
56 |
11922 |
◊ |
L |
x,y,z |
1_555 |
175 |
55 |
11711 |
1693.7 |
-22.8 |
0.062 |
18 |
3 |
0 |
1.000 |
2 |
|
B |
81 |
16 |
4274 |
◊ |
A |
x,y,z |
1_555 |
77 |
16 |
4078 |
733.0 |
-3.4 |
0.705 |
42 |
0 |
0 |
0.945 |
3 |
|
B |
51 |
5 |
4274 |
◊ |
L |
x,y,z |
1_555 |
41 |
13 |
11711 |
394.8 |
4.0 |
0.753 |
2 |
0 |
0 |
0.000 |
4 |
|
H |
34 |
12 |
11922 |
◊ |
L |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
39 |
12 |
11711 |
365.1 |
1.3 |
0.819 |
6 |
1 |
0 |
0.000 |
5 |
|
B |
28 |
7 |
4274 |
◊ |
L |
y,x,-z |
7_555 |
33 |
15 |
11711 |
239.8 |
-7.0 |
0.260 |
2 |
0 |
0 |
0.013 |
6 |
|
A |
29 |
2 |
4078 |
◊ |
L |
x,y,z |
1_555 |
30 |
9 |
11711 |
218.3 |
4.1 |
0.796 |
2 |
0 |
0 |
0.000 |
7 |
|
B |
27 |
7 |
4274 |
◊ |
H |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
30 |
11 |
11922 |
209.2 |
-6.8 |
0.275 |
1 |
0 |
0 |
0.000 |
8 |
|
L |
22 |
7 |
11711 |
◊ |
H |
x,y-1,z |
1_545 |
25 |
10 |
11922 |
199.9 |
0.0 |
0.699 |
7 |
0 |
0 |
0.000 |
9 |
|
B |
20 |
3 |
4274 |
◊ |
B |
y,x,-z |
7_555 |
20 |
3 |
4274 |
161.2 |
2.7 |
0.791 |
0 |
0 |
0 |
0.000 |
10 |
|
[64T]A:9 |
11 |
1 |
449 |
◊ |
H |
x,y,z |
1_555 |
19 |
7 |
11922 |
131.6 |
-0.8 |
0.588 |
3 |
0 |
0 |
0.039 |
11 |
|
A |
13 |
2 |
4078 |
◊ |
H |
x,y,z |
1_555 |
17 |
6 |
11922 |
122.4 |
-1.4 |
0.431 |
2 |
0 |
0 |
0.042 |
12 |
|
[5PY]A:10 |
13 |
1 |
413 |
◊ |
H |
x,y,z |
1_555 |
21 |
6 |
11922 |
118.3 |
0.5 |
0.449 |
2 |
0 |
0 |
0.007 |
13 |
|
A |
17 |
2 |
4078 |
x |
A |
y-1,x,-z |
7_455 |
15 |
1 |
4078 |
105.2 |
2.0 |
0.747 |
1 |
0 |
0 |
0.000 |
14 |
|
H |
17 |
9 |
11922 |
◊ |
L |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
10 |
6 |
11711 |
104.7 |
-1.2 |
0.447 |
1 |
0 |
0 |
0.000 |
15 |
|
[5PY]A:10 |
9 |
1 |
413 |
cf |
[64T]A:9 |
x,y,z |
1_555 |
13 |
1 |
449 |
103.3 |
1.0 |
0.646 |
0 |
0 |
0 |
0.000 |
16 |
|
[64T]A:9 |
11 |
1 |
449 |
◊ |
L |
x,y,z |
1_555 |
16 |
6 |
11711 |
102.3 |
0.9 |
0.707 |
0 |
0 |
0 |
0.000 |
17 |
|
H |
12 |
4 |
11922 |
x |
H |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
9 |
2 |
11922 |
97.5 |
-0.1 |
0.667 |
1 |
1 |
0 |
0.000 |
18 |
|
B |
11 |
1 |
4274 |
x |
B |
y-1,x,-z |
7_455 |
14 |
1 |
4274 |
97.0 |
2.5 |
0.783 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
10 |
2 |
4274 |
◊ |
A |
y-1,x,-z |
7_455 |
9 |
1 |
4078 |
87.4 |
-1.6 |
0.445 |
3 |
0 |
0 |
0.000 |
20 |
|
[5PY]A:10 |
11 |
1 |
413 |
◊ |
L |
x,y,z |
1_555 |
12 |
6 |
11711 |
81.0 |
0.5 |
0.550 |
1 |
0 |
0 |
0.000 |
21 |
|
[64T]A:9 |
10 |
1 |
449 |
cf |
A |
x,y,z |
1_555 |
9 |
2 |
4078 |
78.7 |
1.0 |
0.708 |
0 |
0 |
0 |
0.000 |
22 |
|
[5PY]A:10 |
10 |
1 |
413 |
cf |
A |
x,y,z |
1_555 |
8 |
2 |
4078 |
78.6 |
-0.1 |
0.415 |
0 |
0 |
0 |
0.009 |
23 |
|
L |
12 |
3 |
11711 |
x |
L |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
7 |
4 |
11711 |
78.6 |
1.7 |
0.850 |
1 |
1 |
0 |
0.000 |
24 |
|
[NCO]H:301 |
5 |
1 |
250 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
11922 |
77.6 |
0.6 |
0.160 |
6 |
0 |
0 |
0.038 |
25 |
|
L |
7 |
2 |
11711 |
◊ |
L |
-y+1,-x+1,-z+1/2 |
8_665 |
7 |
2 |
11711 |
71.2 |
-0.5 |
0.481 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
11 |
3 |
4274 |
◊ |
L |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
9 |
3 |
11711 |
66.9 |
-1.2 |
0.510 |
0 |
0 |
0 |
0.000 |
27 |
|
[NCO]H:301 |
4 |
1 |
250 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
4078 |
56.6 |
-1.7 |
0.114 |
3 |
0 |
0 |
0.239 |
28 |
|
H |
6 |
3 |
11922 |
x |
H |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
4 |
1 |
11922 |
52.9 |
0.4 |
0.482 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
6 |
3 |
4078 |
◊ |
L |
y,x,-z |
7_555 |
4 |
2 |
11711 |
49.6 |
-0.1 |
0.538 |
1 |
0 |
0 |
0.000 |
30 |
|
[5PY]A:10 |
2 |
1 |
413 |
f |
[NCO]H:301 |
x,y,z |
1_555 |
3 |
1 |
250 |
11.4 |
-0.1 |
0.214 |
0 |
0 |
0 |
0.008 |
31 |
|
H |
2 |
1 |
11922 |
◊ |
L |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
11711 |
8.2 |
-0.0 |
0.440 |
0 |
0 |
0 |
0.000 |
32 |
|
L |
1 |
1 |
11711 |
◊ |
H |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
3 |
1 |
11922 |
8.1 |
-0.1 |
0.400 |
0 |
0 |
0 |
0.000 |
33 |
|
L |
1 |
1 |
11711 |
◊ |
L |
y,x,-z |
7_555 |
1 |
1 |
11711 |
0.8 |
0.0 |
0.689 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
1 |
1 |
4274 |
◊ |
H |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
11922 |
0.5 |
0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
|