## |
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 |
208 |
53 |
16583 |
◊ |
C |
x,y,z |
1_555 |
214 |
56 |
16503 |
1882.9 |
-9.0 |
0.338 |
32 |
18 |
0 |
0.370 |
2 |
|
B |
208 |
55 |
16588 |
◊ |
A |
x,y,z |
1_555 |
211 |
52 |
16426 |
1869.8 |
-11.0 |
0.305 |
34 |
18 |
0 |
0.370 |
Average: |
1876.3 |
-10.0 |
0.322 |
33 |
18 |
0 |
0.370 |
2 |
3 |
|
A |
53 |
18 |
16426 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
51 |
13 |
16583 |
487.9 |
-1.1 |
0.535 |
6 |
2 |
0 |
0.000 |
4 |
|
B |
48 |
13 |
16588 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
53 |
19 |
16503 |
481.3 |
-0.0 |
0.600 |
7 |
1 |
0 |
0.000 |
Average: |
484.6 |
-0.6 |
0.567 |
7 |
2 |
0 |
0.000 |
3 |
5 |
|
C |
46 |
13 |
16503 |
◊ |
D |
x-1,y,z |
1_455 |
47 |
13 |
16583 |
344.1 |
2.5 |
0.796 |
4 |
0 |
0 |
0.000 |
6 |
|
A |
44 |
12 |
16426 |
◊ |
B |
x-1,y,z |
1_455 |
44 |
13 |
16588 |
322.1 |
1.6 |
0.767 |
4 |
0 |
0 |
0.000 |
Average: |
333.1 |
2.0 |
0.781 |
4 |
0 |
0 |
0.000 |
4 |
7 |
|
A |
38 |
15 |
16426 |
◊ |
C |
x-1,y,z |
1_455 |
31 |
10 |
16503 |
314.1 |
1.5 |
0.714 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
25 |
11 |
16588 |
◊ |
D |
x-1,y,z-1 |
1_454 |
27 |
12 |
16583 |
201.0 |
-2.0 |
0.358 |
1 |
1 |
0 |
0.000 |
6 |
9 |
|
[PAH]A:440 |
9 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
32 |
19 |
16426 |
160.0 |
-2.8 |
0.609 |
7 |
0 |
0 |
0.156 |
10 |
|
[PAH]D:1940 |
9 |
1 |
271 |
f |
D |
x,y,z |
1_555 |
27 |
17 |
16583 |
158.9 |
-2.8 |
0.588 |
8 |
0 |
0 |
0.156 |
11 |
|
[PAH]C:1440 |
9 |
1 |
272 |
f |
C |
x,y,z |
1_555 |
29 |
16 |
16503 |
157.7 |
-2.5 |
0.637 |
7 |
0 |
0 |
0.156 |
12 |
|
[PAH]B:940 |
9 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
28 |
17 |
16588 |
157.5 |
-0.8 |
0.698 |
7 |
0 |
0 |
0.156 |
Average: |
158.5 |
-2.2 |
0.633 |
7 |
0 |
0 |
0.156 |
7 |
13 |
|
B |
10 |
6 |
16588 |
x |
B |
x-1,y,z |
1_455 |
9 |
4 |
16588 |
82.1 |
1.3 |
0.681 |
0 |
0 |
0 |
0.000 |
14 |
|
D |
6 |
3 |
16583 |
x |
D |
x-1,y,z |
1_455 |
9 |
5 |
16583 |
61.0 |
0.6 |
0.668 |
0 |
0 |
0 |
0.000 |
Average: |
71.5 |
1.0 |
0.675 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
[MG]A:439 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
12 |
16426 |
51.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.138 |
16 |
|
[MG]D:1938 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
10 |
16583 |
51.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.138 |
17 |
|
[MG]C:1438 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
10 |
16503 |
50.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.138 |
18 |
|
[MG]B:939 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
10 |
16588 |
48.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.138 |
Average: |
50.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.138 |
9 |
19 |
|
[MG]A:438 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
8 |
16426 |
34.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.152 |
20 |
|
[MG]C:1439 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
8 |
16503 |
34.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.152 |
21 |
|
[MG]D:1939 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
9 |
16583 |
34.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.152 |
22 |
|
[MG]B:938 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
8 |
16588 |
33.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.152 |
Average: |
34.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.152 |
10 |
23 |
|
[PAH]A:440 |
4 |
1 |
271 |
f |
[MG]A:439 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.104 |
24 |
|
[PAH]C:1440 |
5 |
1 |
272 |
f |
[MG]C:1438 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.104 |
25 |
|
[PAH]B:940 |
5 |
1 |
270 |
f |
[MG]B:939 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.104 |
26 |
|
[PAH]D:1940 |
5 |
1 |
271 |
f |
[MG]D:1938 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
30.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.104 |
11 |
27 |
|
[PAH]D:1940 |
4 |
1 |
271 |
f |
[MG]D:1939 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.072 |
28 |
|
[PAH]B:940 |
4 |
1 |
270 |
f |
[MG]B:938 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.072 |
29 |
|
[PAH]A:440 |
4 |
1 |
271 |
f |
[MG]A:438 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.072 |
30 |
|
[PAH]C:1440 |
4 |
1 |
272 |
f |
[MG]C:1439 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
28.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.072 |
12 |
31 |
|
B |
7 |
4 |
16588 |
◊ |
D |
x,y,z-1 |
1_554 |
5 |
4 |
16583 |
26.3 |
0.2 |
0.645 |
0 |
0 |
0 |
0.000 |
13 |
32 |
|
A |
4 |
2 |
16426 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
2 |
1 |
16503 |
21.3 |
0.6 |
0.833 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
2 |
1 |
16426 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
16503 |
6.8 |
0.1 |
0.758 |
0 |
0 |
0 |
0.000 |
Average: |
14.1 |
0.4 |
0.796 |
0 |
0 |
0 |
0.000 |
14 |
34 |
|
A |
2 |
1 |
16426 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
16503 |
8.9 |
0.2 |
0.750 |
0 |
0 |
0 |
0.000 |
15 |
35 |
|
[MG]B:939 |
1 |
1 |
98 |
f |
[MG]B:938 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.023 |
16 |
36 |
|
[MG]D:1939 |
1 |
1 |
98 |
f |
[MG]D:1938 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.022 |
17 |
37 |
|
[MG]C:1439 |
1 |
1 |
98 |
f |
[MG]C:1438 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.022 |
18 |
38 |
|
[MG]A:439 |
1 |
1 |
98 |
f |
[MG]A:438 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.021 |
19 |
39 |
|
A |
1 |
1 |
16426 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
16583 |
3.7 |
0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
|