## |
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 |
69 |
18 |
3838 |
◊ |
A |
x,y,z |
1_555 |
74 |
19 |
3833 |
788.4 |
-19.3 |
0.028 |
3 |
0 |
0 |
0.938 |
2 |
2 |
|
A |
43 |
11 |
3833 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
41 |
11 |
3833 |
454.3 |
-2.7 |
0.643 |
2 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
47 |
11 |
3838 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
47 |
13 |
3833 |
453.6 |
-3.5 |
0.584 |
6 |
2 |
0 |
0.000 |
4 |
4 |
|
A |
25 |
7 |
3833 |
◊ |
A |
y-1,x+1,-z |
7_465 |
25 |
7 |
3833 |
226.9 |
2.2 |
0.896 |
4 |
2 |
0 |
0.000 |
5 |
5 |
|
B |
22 |
9 |
3838 |
◊ |
B |
y-1,x+1,-z |
7_465 |
22 |
9 |
3838 |
177.0 |
1.6 |
0.844 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
12 |
4 |
3838 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
14 |
4 |
3833 |
121.5 |
0.4 |
0.675 |
1 |
2 |
0 |
0.000 |
7 |
7 |
|
A |
18 |
5 |
3833 |
◊ |
B |
-y+1/2,x+1/2,z+1/4 |
3_555 |
9 |
3 |
3838 |
108.9 |
0.8 |
0.765 |
1 |
1 |
0 |
0.000 |
8 |
8 |
|
A |
8 |
3 |
3833 |
◊ |
B |
-x,-y+2,z-1/2 |
2_574 |
11 |
3 |
3838 |
88.1 |
1.0 |
0.813 |
2 |
0 |
0 |
0.000 |
9 |
9 |
|
B |
14 |
5 |
3838 |
x |
B |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
6 |
4 |
3838 |
84.4 |
0.0 |
0.697 |
0 |
1 |
0 |
0.000 |
10 |
10 |
|
A |
6 |
3 |
3833 |
x |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
9 |
4 |
3833 |
80.3 |
-1.9 |
0.285 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
B |
9 |
3 |
3838 |
x |
B |
-y+1/2,x+1/2,z+1/4 |
3_555 |
9 |
4 |
3838 |
78.6 |
-0.8 |
0.541 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[ACE]A:101 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
7 |
4 |
3833 |
74.1 |
-1.5 |
0.715 |
0 |
0 |
0 |
0.157 |
13 |
13 |
|
[ACE]B:101 |
3 |
1 |
172 |
cf |
B |
x,y,z |
1_555 |
10 |
3 |
3838 |
63.2 |
-0.9 |
0.740 |
0 |
0 |
0 |
0.353 |
14 |
14 |
|
[ACE]A:101 |
3 |
1 |
172 |
◊ |
B |
-x,-y+2,z-1/2 |
2_574 |
7 |
2 |
3838 |
51.9 |
-0.1 |
0.795 |
1 |
0 |
0 |
0.000 |
15 |
15 |
|
B |
3 |
1 |
3838 |
◊ |
A |
-x,-y+1,z-1/2 |
2_564 |
6 |
3 |
3833 |
51.7 |
-0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[NH2]B:139 |
1 |
1 |
117 |
cf |
B |
x,y,z |
1_555 |
6 |
3 |
3838 |
47.5 |
0.6 |
0.775 |
0 |
0 |
0 |
0.000 |
17 |
|
[NH2]A:139 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
6 |
4 |
3833 |
43.5 |
0.6 |
0.775 |
0 |
0 |
0 |
0.000 |
Average: |
45.5 |
0.6 |
0.775 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
B |
5 |
1 |
3838 |
◊ |
A |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
7 |
1 |
3833 |
43.2 |
0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[ACE]B:101 |
3 |
1 |
172 |
◊ |
A |
-x,-y+1,z-1/2 |
2_564 |
4 |
3 |
3833 |
37.9 |
-0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
A |
5 |
3 |
3833 |
x |
A |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
3 |
2 |
3833 |
34.7 |
-0.2 |
0.575 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
B |
3 |
2 |
3838 |
◊ |
A |
y-1,x+1,-z |
7_465 |
4 |
2 |
3833 |
28.8 |
0.9 |
0.832 |
1 |
2 |
0 |
0.000 |
21 |
22 |
|
[ACE]B:101 |
3 |
1 |
172 |
◊ |
[NH2]A:139 |
-x,-y+1,z-1/2 |
2_564 |
1 |
1 |
117 |
24.9 |
0.2 |
0.981 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
B |
3 |
1 |
3838 |
◊ |
[NH2]A:139 |
-x,-y+1,z-1/2 |
2_564 |
1 |
1 |
117 |
22.7 |
0.4 |
0.871 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
4 |
1 |
3833 |
◊ |
[NH2]B:139 |
-x,-y+2,z-1/2 |
2_574 |
1 |
1 |
117 |
22.7 |
0.4 |
0.855 |
0 |
0 |
0 |
0.000 |
Average: |
22.7 |
0.4 |
0.863 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
B |
4 |
3 |
3838 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
4 |
3 |
3838 |
21.5 |
0.4 |
0.743 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
B |
3 |
1 |
3838 |
◊ |
[ACE]B:101 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
1 |
1 |
172 |
19.5 |
-0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
A |
3 |
1 |
3833 |
◊ |
[ACE]B:101 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
1 |
172 |
19.3 |
0.3 |
0.827 |
0 |
0 |
0 |
0.000 |
26 |
28 |
|
[NH2]B:139 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3833 |
14.7 |
-0.1 |
0.454 |
0 |
0 |
0 |
0.007 |
29 |
|
[NH2]A:139 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
3838 |
3.9 |
-0.0 |
0.692 |
0 |
0 |
0 |
0.007 |
Average: |
9.3 |
-0.1 |
0.573 |
0 |
0 |
0 |
0.007 |
27 |
30 |
|
[NH2]B:139 |
1 |
1 |
117 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
5 |
1 |
3833 |
12.7 |
-0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
A |
1 |
1 |
3833 |
x |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
1 |
1 |
3833 |
9.2 |
-0.0 |
0.504 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
B |
2 |
1 |
3838 |
◊ |
[ACE]A:101 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
1 |
1 |
172 |
7.2 |
-0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
B |
1 |
1 |
3838 |
◊ |
A |
y-1,x,-z |
7_455 |
1 |
1 |
3833 |
5.8 |
0.3 |
0.823 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[NH2]A:139 |
1 |
1 |
117 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
1 |
3833 |
4.0 |
0.1 |
0.850 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
B |
2 |
2 |
3838 |
◊ |
[ACE]A:101 |
x-1/2,-y+3/2,-z-1/4 |
6_464 |
1 |
1 |
172 |
1.0 |
0.0 |
0.675 |
0 |
0 |
0 |
0.000 |
|