## |
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 |
|
[HEC]C:201 |
43 |
1 |
810 |
cf |
C |
x,y,z |
1_555 |
75 |
22 |
6263 |
535.7 |
-17.3 |
0.475 |
0 |
0 |
0 |
0.432 |
2 |
|
[HEC]A:201 |
43 |
1 |
824 |
cf |
A |
x,y,z |
1_555 |
73 |
21 |
6277 |
531.1 |
-19.0 |
0.297 |
0 |
0 |
0 |
0.432 |
Average: |
533.4 |
-18.1 |
0.386 |
0 |
0 |
0 |
0.432 |
2 |
3 |
|
C |
47 |
10 |
6263 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
39 |
11 |
6277 |
382.1 |
-2.6 |
0.541 |
2 |
2 |
0 |
0.000 |
3 |
4 |
|
A |
37 |
13 |
6277 |
x |
A |
x-y,x,z+1/6 |
6_555 |
43 |
12 |
6277 |
327.2 |
0.7 |
0.717 |
6 |
2 |
0 |
0.000 |
4 |
5 |
|
A |
33 |
12 |
6277 |
◊ |
C |
x-y-1,-y-1,-z |
8_445 |
39 |
9 |
6263 |
301.8 |
-3.0 |
0.482 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
C |
22 |
10 |
6263 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
6277 |
173.8 |
-3.5 |
0.255 |
1 |
0 |
1 |
0.000 |
6 |
7 |
|
C |
18 |
5 |
6263 |
◊ |
C |
-y-1,-x-1,-z-1/6 |
10_444 |
18 |
5 |
6263 |
152.2 |
2.8 |
0.932 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
C |
13 |
5 |
6263 |
x |
C |
x-y,x,z+1/6 |
6_555 |
14 |
6 |
6263 |
137.8 |
-1.4 |
0.447 |
1 |
1 |
0 |
0.000 |
8 |
9 |
|
[HEC]A:201 |
18 |
1 |
824 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
16 |
5 |
6277 |
105.9 |
-3.5 |
0.643 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
C |
11 |
3 |
6263 |
◊ |
C |
-y,-x,-z-1/6 |
10_554 |
11 |
3 |
6263 |
83.3 |
0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
11 |
4 |
6277 |
◊ |
A |
x-y,-y,-z |
8_555 |
11 |
4 |
6277 |
82.2 |
1.8 |
0.903 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
A |
9 |
4 |
6277 |
◊ |
A |
-y,-x,-z-1/6 |
10_554 |
9 |
4 |
6277 |
76.7 |
1.9 |
0.920 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[HEC]C:201 |
8 |
1 |
810 |
◊ |
[HEC]C:201 |
-y-1,-x-1,-z-1/6 |
10_444 |
8 |
1 |
810 |
65.9 |
-5.1 |
0.571 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[HEC]C:201 |
9 |
1 |
810 |
◊ |
C |
-y-1,-x-1,-z-1/6 |
10_444 |
7 |
3 |
6263 |
58.7 |
-1.2 |
0.856 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[CA]A:203 |
1 |
1 |
85 |
◊ |
A |
x-y,-y,-z |
8_555 |
8 |
4 |
6277 |
30.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.117 |
15 |
16 |
|
[CA]A:203 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
6277 |
29.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.124 |
16 |
17 |
|
[CA]C:202 |
1 |
1 |
85 |
x |
C |
x,y,z |
1_555 |
3 |
2 |
6263 |
27.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
|
[CA]C:203 |
1 |
1 |
85 |
x |
C |
-y-1,-x-1,-z-1/6 |
10_444 |
3 |
1 |
6263 |
23.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
|
[CA]A:202 |
1 |
1 |
85 |
x |
A |
x,y,z |
1_555 |
3 |
2 |
6277 |
20.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
24.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
C |
2 |
1 |
6263 |
◊ |
C |
-x,-x+y,-z-1/3 |
9_554 |
2 |
1 |
6263 |
27.7 |
2.0 |
0.971 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[CA]C:202 |
1 |
1 |
85 |
x |
[HEC]C:201 |
x,y,z |
1_555 |
3 |
1 |
810 |
26.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
A |
6 |
3 |
6277 |
◊ |
C |
x-y-1,x,z+1/6 |
6_455 |
5 |
3 |
6263 |
24.9 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[CA]A:204 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
6277 |
23.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.099 |
21 |
24 |
|
[CA]A:205 |
1 |
1 |
85 |
f |
A |
x-y,x,z+1/6 |
6_555 |
4 |
2 |
6277 |
23.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.097 |
22 |
25 |
|
[CA]A:204 |
1 |
1 |
85 |
◊ |
A |
-y,-x,-z-1/6 |
10_554 |
4 |
2 |
6277 |
21.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.081 |
23 |
26 |
|
C |
1 |
1 |
6263 |
◊ |
C |
-x+y,y,-z-1/2 |
11_554 |
1 |
1 |
6263 |
20.7 |
-0.7 |
0.119 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[CA]C:203 |
1 |
1 |
85 |
◊ |
[HEC]C:201 |
-y-1,-x-1,-z-1/6 |
10_444 |
3 |
1 |
810 |
18.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[CA]A:202 |
1 |
1 |
85 |
◊ |
[HEC]A:201 |
x,y,z |
1_555 |
3 |
1 |
824 |
18.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
18.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[CA]C:203 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
6263 |
18.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.012 |
26 |
30 |
|
[CA]A:202 |
1 |
1 |
85 |
◊ |
A |
x-y,-y,-z |
8_555 |
3 |
1 |
6277 |
17.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.058 |
27 |
31 |
|
[CA]A:202 |
1 |
1 |
85 |
f |
A |
x-y,x,z+1/6 |
6_555 |
3 |
1 |
6277 |
16.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.055 |
28 |
32 |
|
A |
1 |
1 |
6277 |
◊ |
[CA]C:203 |
x-y-1,x,z+1/6 |
6_455 |
1 |
1 |
85 |
14.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[CA]A:205 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6277 |
13.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[CA]A:205 |
1 |
1 |
85 |
◊ |
[CA]A:204 |
x-y,-y,-z |
8_555 |
1 |
1 |
85 |
12.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.078 |
31 |
35 |
|
[CA]A:203 |
1 |
1 |
85 |
◊ |
[CA]A:203 |
x-y,-y,-z |
8_555 |
1 |
1 |
85 |
10.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.036 |
32 |
36 |
|
[CA]C:203 |
1 |
1 |
85 |
f |
[HEC]C:201 |
x,y,z |
1_555 |
2 |
1 |
810 |
8.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.008 |
33 |
37 |
|
C |
2 |
1 |
6263 |
◊ |
A |
-y-1,-x-1,-z-1/6 |
10_444 |
2 |
1 |
6277 |
7.6 |
-0.1 |
0.521 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[HEC]A:201 |
1 |
1 |
824 |
◊ |
A |
x-y,-y,-z |
8_555 |
3 |
1 |
6277 |
7.5 |
-0.4 |
0.435 |
0 |
0 |
0 |
0.009 |
35 |
39 |
|
[CA]A:204 |
1 |
1 |
85 |
f |
[HEC]A:201 |
x,y,z |
1_555 |
1 |
1 |
824 |
7.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.032 |
36 |
40 |
|
[CA]A:202 |
1 |
1 |
85 |
◊ |
[CA]A:202 |
x-y,-y,-z |
8_555 |
1 |
1 |
85 |
6.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[CA]A:204 |
1 |
1 |
85 |
◊ |
A |
x-y,-y,-z |
8_555 |
2 |
1 |
6277 |
5.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.020 |
38 |
42 |
|
[CA]A:204 |
1 |
1 |
85 |
◊ |
[CA]A:202 |
x-y,-y,-z |
8_555 |
1 |
1 |
85 |
4.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.027 |
39 |
43 |
|
[CA]A:202 |
1 |
1 |
85 |
◊ |
[HEC]A:201 |
x-y,-y,-z |
8_555 |
2 |
1 |
824 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|