## |
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 |
|
D |
82 |
24 |
6203 |
◊ |
C |
x,y,z |
1_555 |
78 |
24 |
6122 |
881.8 |
-4.8 |
0.484 |
21 |
20 |
0 |
0.286 |
2 |
|
A |
81 |
24 |
6182 |
◊ |
B |
-y,x,z |
3_555 |
80 |
24 |
6134 |
875.0 |
-5.1 |
0.493 |
19 |
19 |
0 |
0.286 |
Average: |
878.4 |
-4.9 |
0.489 |
20 |
20 |
0 |
0.286 |
2 |
3 |
|
D |
38 |
10 |
6203 |
x |
D |
-y+1,x,z |
3_655 |
48 |
13 |
6203 |
362.4 |
-1.4 |
0.605 |
4 |
0 |
0 |
0.096 |
4 |
|
B |
39 |
10 |
6134 |
x |
B |
-y,x,z |
3_555 |
50 |
14 |
6134 |
362.4 |
-1.6 |
0.619 |
4 |
0 |
0 |
0.096 |
5 |
|
A |
47 |
13 |
6182 |
x |
A |
-y,x,z |
3_555 |
38 |
10 |
6182 |
359.4 |
-1.2 |
0.627 |
4 |
0 |
0 |
0.096 |
6 |
|
C |
47 |
13 |
6122 |
x |
C |
-y+1,x,z |
3_655 |
39 |
10 |
6122 |
354.7 |
-1.5 |
0.579 |
4 |
0 |
0 |
0.096 |
Average: |
359.7 |
-1.4 |
0.608 |
4 |
0 |
0 |
0.096 |
3 |
7 |
|
B |
21 |
8 |
6134 |
◊ |
C |
x,y,z-1 |
1_554 |
26 |
8 |
6122 |
218.4 |
-1.5 |
0.497 |
1 |
2 |
0 |
0.000 |
4 |
8 |
|
A |
22 |
7 |
6182 |
◊ |
D |
-y,x,z |
3_555 |
23 |
7 |
6203 |
194.5 |
-1.7 |
0.469 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
D |
21 |
6 |
6203 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
6182 |
186.8 |
-1.2 |
0.473 |
1 |
2 |
0 |
0.000 |
6 |
10 |
|
B |
21 |
6 |
6134 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
6182 |
154.7 |
-1.1 |
0.538 |
0 |
0 |
0 |
0.022 |
11 |
|
D |
21 |
6 |
6203 |
◊ |
C |
-y+1,x,z |
3_655 |
20 |
6 |
6122 |
140.6 |
-1.5 |
0.466 |
0 |
0 |
0 |
0.022 |
Average: |
147.7 |
-1.3 |
0.502 |
0 |
0 |
0 |
0.022 |
7 |
12 |
|
[FEO]C:115 |
3 |
1 |
204 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
6122 |
90.6 |
-17.4 |
0.139 |
0 |
0 |
0 |
0.298 |
13 |
|
[FEO]A:115 |
3 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
6182 |
89.7 |
-17.2 |
0.124 |
0 |
0 |
0 |
0.298 |
Average: |
90.2 |
-17.3 |
0.131 |
0 |
0 |
0 |
0.298 |
8 |
14 |
|
[FEO]B:115 |
3 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
9 |
8 |
6134 |
90.0 |
-17.3 |
0.097 |
0 |
0 |
0 |
0.304 |
15 |
|
[FEO]D:115 |
3 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
10 |
8 |
6203 |
89.2 |
-18.2 |
0.035 |
0 |
0 |
0 |
0.304 |
Average: |
89.6 |
-17.7 |
0.066 |
0 |
0 |
0 |
0.304 |
9 |
16 |
|
[ACE]B:114 |
3 |
1 |
172 |
cf |
B |
x,y,z |
1_555 |
9 |
3 |
6134 |
74.9 |
-1.1 |
0.628 |
0 |
0 |
0 |
0.020 |
17 |
|
[ACE]C:114 |
3 |
1 |
174 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
6122 |
73.3 |
-1.0 |
0.625 |
0 |
0 |
0 |
0.020 |
Average: |
74.1 |
-1.1 |
0.626 |
0 |
0 |
0 |
0.020 |
10 |
18 |
|
[ACE]D:114 |
3 |
1 |
173 |
cf |
D |
x,y,z |
1_555 |
9 |
3 |
6203 |
73.2 |
-1.0 |
0.627 |
0 |
0 |
0 |
0.017 |
11 |
19 |
|
[ACE]A:114 |
3 |
1 |
173 |
cf |
A |
x,y,z |
1_555 |
10 |
3 |
6182 |
73.0 |
-1.0 |
0.653 |
0 |
0 |
0 |
0.018 |
12 |
20 |
|
[OXY]C:116 |
2 |
1 |
124 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
6122 |
48.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
13 |
21 |
|
[OXY]A:116 |
2 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
6182 |
47.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
14 |
22 |
|
[OXY]B:116 |
2 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
8 |
6134 |
47.2 |
-0.2 |
0.113 |
2 |
0 |
0 |
0.019 |
15 |
23 |
|
[OXY]D:116 |
2 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
8 |
6203 |
46.7 |
-1.2 |
0.040 |
0 |
0 |
0 |
0.019 |
16 |
24 |
|
[OXY]D:116 |
2 |
1 |
125 |
f |
[FEO]D:115 |
x,y,z |
1_555 |
3 |
1 |
206 |
33.9 |
-1.8 |
0.981 |
0 |
0 |
0 |
0.030 |
17 |
25 |
|
[OXY]A:116 |
2 |
1 |
125 |
f |
[FEO]A:115 |
x,y,z |
1_555 |
3 |
1 |
206 |
33.3 |
-1.8 |
0.981 |
0 |
0 |
0 |
0.031 |
18 |
26 |
|
[OXY]B:116 |
2 |
1 |
125 |
f |
[FEO]B:115 |
x,y,z |
1_555 |
3 |
1 |
206 |
32.6 |
-1.8 |
0.981 |
0 |
0 |
0 |
0.031 |
19 |
27 |
|
[OXY]C:116 |
2 |
1 |
124 |
f |
[FEO]C:115 |
x,y,z |
1_555 |
3 |
1 |
204 |
31.4 |
-1.7 |
0.981 |
0 |
0 |
0 |
0.029 |
20 |
28 |
|
C |
1 |
1 |
6122 |
◊ |
B |
-y,x,z+1 |
3_556 |
2 |
2 |
6134 |
9.2 |
-0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[ACE]D:114 |
1 |
1 |
173 |
◊ |
D |
-y+1,x,z |
3_655 |
1 |
1 |
6203 |
1.7 |
-0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
A |
1 |
1 |
6182 |
◊ |
[ACE]A:114 |
-y,x,z |
3_555 |
1 |
1 |
173 |
1.6 |
-0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
C |
1 |
1 |
6122 |
◊ |
[ACE]C:114 |
-y+1,x,z |
3_655 |
1 |
1 |
174 |
0.7 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
|