## |
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 |
170 |
41 |
12860 |
◊ |
A |
x,y,z |
1_555 |
186 |
46 |
14511 |
1716.3 |
-16.0 |
0.221 |
18 |
3 |
0 |
0.996 |
2 |
|
D |
158 |
40 |
12801 |
◊ |
C |
x,y,z |
1_555 |
178 |
44 |
14472 |
1636.5 |
-13.9 |
0.230 |
21 |
5 |
0 |
0.996 |
Average: |
1676.4 |
-15.0 |
0.225 |
20 |
4 |
0 |
0.996 |
2 |
3 |
|
B |
51 |
15 |
12860 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
64 |
16 |
14472 |
514.1 |
0.5 |
0.761 |
8 |
2 |
0 |
0.000 |
3 |
4 |
|
B |
53 |
16 |
12860 |
◊ |
C |
x,y,z |
1_555 |
49 |
14 |
14472 |
482.9 |
-2.0 |
0.553 |
3 |
1 |
0 |
0.000 |
5 |
|
D |
51 |
15 |
12801 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
14511 |
467.9 |
-2.9 |
0.471 |
4 |
1 |
0 |
0.000 |
Average: |
475.4 |
-2.5 |
0.512 |
4 |
1 |
0 |
0.000 |
4 |
6 |
|
A |
56 |
22 |
14511 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
55 |
21 |
12860 |
452.5 |
0.3 |
0.686 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
[X1N]A:1297 |
24 |
1 |
503 |
f |
A |
x,y,z |
1_555 |
57 |
22 |
14511 |
372.9 |
0.8 |
0.427 |
2 |
0 |
0 |
0.100 |
8 |
|
[X1N]C:1298 |
24 |
1 |
510 |
f |
C |
x,y,z |
1_555 |
56 |
22 |
14472 |
372.0 |
0.1 |
0.360 |
1 |
0 |
0 |
0.100 |
Average: |
372.5 |
0.4 |
0.393 |
2 |
0 |
0 |
0.100 |
6 |
9 |
|
A |
34 |
10 |
14511 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
36 |
13 |
12801 |
303.2 |
-2.1 |
0.306 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
31 |
12 |
14511 |
◊ |
C |
x-1,y,z |
1_455 |
30 |
10 |
14472 |
271.6 |
-1.3 |
0.439 |
5 |
1 |
0 |
0.070 |
8 |
11 |
|
H |
19 |
3 |
590 |
◊ |
D |
x,y,z |
1_555 |
37 |
9 |
12801 |
256.6 |
-4.2 |
0.334 |
2 |
0 |
0 |
0.175 |
9 |
12 |
|
A |
17 |
7 |
14511 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
22 |
7 |
14472 |
180.8 |
0.2 |
0.534 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
A |
19 |
10 |
14511 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
22 |
9 |
14472 |
164.7 |
-0.9 |
0.486 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
D |
14 |
7 |
12801 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
7 |
14472 |
103.9 |
0.1 |
0.526 |
3 |
0 |
0 |
0.000 |
12 |
15 |
|
C |
12 |
3 |
14472 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
14511 |
101.6 |
-1.3 |
0.371 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
D |
18 |
7 |
12801 |
x |
D |
x-1/2,-y+3/2,-z |
4_465 |
9 |
3 |
12801 |
99.9 |
0.8 |
0.698 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[ACE]H:1 |
3 |
1 |
171 |
cf |
H |
x,y,z |
1_555 |
9 |
2 |
590 |
66.0 |
-0.7 |
0.789 |
0 |
0 |
0 |
0.199 |
15 |
18 |
|
[NH2]H:5 |
1 |
1 |
117 |
cf |
H |
x,y,z |
1_555 |
7 |
2 |
590 |
51.8 |
0.3 |
0.742 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
A |
3 |
2 |
14511 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
2 |
12801 |
48.0 |
-1.0 |
0.271 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[ACE]H:1 |
2 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
12801 |
41.8 |
0.3 |
0.822 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
B |
5 |
2 |
12860 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
2 |
12860 |
33.6 |
-0.1 |
0.530 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[NH2]H:5 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
12801 |
33.5 |
0.4 |
0.809 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
A |
8 |
4 |
14511 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
4 |
12860 |
30.0 |
0.4 |
0.729 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
B |
3 |
2 |
12860 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
14472 |
22.0 |
0.9 |
0.852 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
D |
3 |
1 |
12801 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
5 |
3 |
14472 |
21.4 |
0.5 |
0.785 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[X1N]A:1297 |
1 |
1 |
503 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
14472 |
3.5 |
0.1 |
0.432 |
0 |
0 |
0 |
0.000 |
|