## |
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 |
123 |
32 |
11088 |
x |
B |
-y-1/2,x+1/2,z |
3_455 |
128 |
32 |
11088 |
1177.9 |
-3.7 |
0.687 |
14 |
6 |
0 |
1.000 |
2 |
|
D |
120 |
30 |
10935 |
x |
D |
-y+1/2,x+1/2,z |
3_555 |
116 |
33 |
10935 |
1097.3 |
-0.5 |
0.828 |
15 |
7 |
0 |
1.000 |
Average: |
1137.6 |
-2.1 |
0.757 |
15 |
7 |
0 |
1.000 |
2 |
3 |
|
D |
73 |
20 |
10935 |
◊ |
C |
x,y,z |
1_555 |
61 |
14 |
2187 |
618.7 |
-4.6 |
0.476 |
4 |
1 |
0 |
0.445 |
4 |
|
B |
68 |
18 |
11088 |
◊ |
A |
x,y,z |
1_555 |
57 |
14 |
2203 |
545.0 |
-6.4 |
0.296 |
3 |
0 |
0 |
0.445 |
Average: |
581.9 |
-5.5 |
0.386 |
4 |
1 |
0 |
0.445 |
3 |
5 |
|
B |
63 |
19 |
11088 |
◊ |
A |
-y-1/2,x+1/2,z |
3_455 |
48 |
10 |
2203 |
450.6 |
-3.1 |
0.507 |
11 |
5 |
0 |
0.560 |
6 |
|
C |
43 |
10 |
2187 |
◊ |
D |
-y+1/2,x+1/2,z |
3_555 |
57 |
18 |
10935 |
443.9 |
-2.7 |
0.530 |
10 |
4 |
0 |
0.560 |
Average: |
447.3 |
-2.9 |
0.519 |
11 |
5 |
0 |
0.560 |
4 |
7 |
|
[EOH]D:382 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
10935 |
92.6 |
2.8 |
0.487 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
11 |
3 |
11088 |
◊ |
D |
-x-1/2,y-1/2,-z |
5_445 |
9 |
2 |
10935 |
91.1 |
0.9 |
0.761 |
0 |
0 |
0 |
0.000 |
9 |
|
D |
11 |
4 |
10935 |
◊ |
B |
-y,-x,-z-1 |
8_554 |
11 |
2 |
11088 |
83.6 |
0.7 |
0.775 |
0 |
0 |
0 |
0.000 |
Average: |
87.4 |
0.8 |
0.768 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
B |
14 |
5 |
11088 |
◊ |
A |
y,x,-z |
7_555 |
8 |
2 |
2203 |
82.2 |
-0.5 |
0.538 |
0 |
2 |
0 |
0.000 |
7 |
11 |
|
[EOH]B:382 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
11088 |
80.2 |
2.5 |
0.290 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
B |
8 |
2 |
11088 |
◊ |
B |
y,x,-z |
7_555 |
8 |
2 |
11088 |
61.8 |
-1.6 |
0.253 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[CD]C:2 |
1 |
1 |
112 |
cf |
C |
x,y,z |
1_555 |
6 |
3 |
2187 |
51.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.446 |
14 |
|
[CD]A:1 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
2203 |
50.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.446 |
Average: |
50.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.446 |
10 |
15 |
|
[EOH]B:382 |
3 |
1 |
172 |
◊ |
A |
-y-1/2,x+1/2,z |
3_455 |
7 |
4 |
2203 |
48.5 |
0.6 |
0.666 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
D |
5 |
2 |
10935 |
◊ |
B |
-y-1/2,x+1/2,z |
3_455 |
3 |
1 |
11088 |
47.3 |
0.7 |
0.795 |
1 |
1 |
0 |
0.000 |
12 |
17 |
|
D |
5 |
2 |
10935 |
◊ |
D |
-y,-x,-z-1 |
8_554 |
5 |
2 |
10935 |
45.4 |
0.8 |
0.836 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
C |
6 |
4 |
2187 |
◊ |
[EOH]D:382 |
-y+1/2,x+1/2,z |
3_555 |
3 |
1 |
172 |
43.4 |
0.7 |
0.665 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
D |
5 |
3 |
10935 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11088 |
42.6 |
-0.6 |
0.388 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
B |
3 |
1 |
11088 |
◊ |
D |
-y+1/2,x+1/2,z |
3_555 |
3 |
2 |
10935 |
30.4 |
0.8 |
0.831 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[CD]C:2 |
1 |
1 |
112 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
10935 |
28.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.168 |
22 |
|
[CD]A:1 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11088 |
28.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.168 |
Average: |
28.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.168 |
17 |
23 |
|
[EOH]B:382 |
3 |
1 |
172 |
f |
B |
-y-1/2,x+1/2,z |
3_455 |
3 |
1 |
11088 |
24.2 |
0.5 |
0.858 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
[MG]B:1 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
3 |
1 |
11088 |
21.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.188 |
25 |
|
[MG]D:2 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
3 |
1 |
10935 |
17.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.188 |
Average: |
19.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.188 |
19 |
26 |
|
D |
3 |
1 |
10935 |
f |
[EOH]D:382 |
-y+1/2,x+1/2,z |
3_555 |
2 |
1 |
172 |
17.9 |
0.6 |
0.889 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
C |
1 |
1 |
2187 |
◊ |
C |
-y,-x,-z-1 |
8_554 |
1 |
1 |
2187 |
7.7 |
0.6 |
0.868 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
A |
2 |
1 |
2203 |
◊ |
D |
-x-1/2,y-1/2,-z |
5_445 |
1 |
1 |
10935 |
3.1 |
0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
1 |
1 |
11088 |
◊ |
C |
-y,-x,-z-1 |
8_554 |
1 |
1 |
2187 |
0.6 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
Average: |
1.9 |
-0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
D |
1 |
1 |
10935 |
◊ |
C |
-y,-x,-z-1 |
8_554 |
2 |
2 |
2187 |
1.5 |
0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
|