## |
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 |
79 |
24 |
15325 |
◊ |
A |
x,y,z |
1_555 |
79 |
27 |
15441 |
791.1 |
-8.7 |
0.074 |
6 |
2 |
0 |
0.181 |
2 |
|
D |
79 |
23 |
15496 |
◊ |
C |
x,y,z |
1_555 |
72 |
23 |
15546 |
749.8 |
-10.6 |
0.024 |
7 |
0 |
0 |
0.181 |
Average: |
770.4 |
-9.6 |
0.049 |
7 |
1 |
0 |
0.181 |
2 |
3 |
|
A |
63 |
13 |
15441 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
55 |
14 |
15496 |
546.8 |
-5.2 |
0.118 |
5 |
3 |
0 |
0.000 |
4 |
|
B |
55 |
14 |
15325 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
61 |
13 |
15546 |
543.4 |
-5.1 |
0.135 |
5 |
3 |
0 |
0.000 |
Average: |
545.1 |
-5.1 |
0.126 |
5 |
3 |
0 |
0.000 |
3 |
5 |
|
A |
52 |
13 |
15441 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
64 |
16 |
15546 |
492.6 |
1.4 |
0.667 |
11 |
10 |
0 |
0.000 |
4 |
6 |
|
B |
48 |
11 |
15325 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
13 |
15441 |
454.2 |
-3.1 |
0.204 |
6 |
3 |
0 |
0.000 |
5 |
7 |
|
[GNP]A:500 |
32 |
1 |
629 |
f |
A |
x,y,z |
1_555 |
60 |
25 |
15441 |
411.7 |
-2.0 |
0.448 |
10 |
0 |
0 |
0.086 |
8 |
|
[GNP]C:500 |
32 |
1 |
618 |
f |
C |
x,y,z |
1_555 |
54 |
24 |
15546 |
403.7 |
-2.0 |
0.442 |
10 |
0 |
0 |
0.086 |
Average: |
407.7 |
-2.0 |
0.445 |
10 |
0 |
0 |
0.086 |
6 |
9 |
|
[GNP]B:500 |
32 |
1 |
627 |
f |
B |
x,y,z |
1_555 |
56 |
23 |
15325 |
403.6 |
-3.2 |
0.465 |
8 |
0 |
0 |
0.070 |
10 |
|
[GNP]D:500 |
30 |
1 |
627 |
f |
D |
x,y,z |
1_555 |
54 |
21 |
15496 |
389.1 |
-2.6 |
0.466 |
6 |
0 |
0 |
0.070 |
Average: |
396.4 |
-2.9 |
0.465 |
7 |
0 |
0 |
0.070 |
7 |
11 |
|
B |
34 |
11 |
15325 |
◊ |
C |
x-1,y,z-1 |
1_454 |
39 |
11 |
15546 |
340.7 |
2.4 |
0.777 |
4 |
4 |
0 |
0.000 |
8 |
12 |
|
D |
35 |
9 |
15496 |
◊ |
C |
x,y,z-1 |
1_554 |
41 |
16 |
15546 |
313.5 |
2.9 |
0.830 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
A |
27 |
9 |
15441 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
29 |
10 |
15496 |
198.7 |
-0.2 |
0.528 |
0 |
1 |
0 |
0.000 |
14 |
|
B |
19 |
6 |
15325 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
7 |
15546 |
133.5 |
2.0 |
0.715 |
2 |
2 |
0 |
0.000 |
Average: |
166.1 |
0.9 |
0.622 |
1 |
2 |
0 |
0.000 |
10 |
15 |
|
C |
27 |
9 |
15546 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
15441 |
191.4 |
-1.6 |
0.335 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
D |
11 |
5 |
15496 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
15441 |
128.0 |
2.3 |
0.884 |
4 |
1 |
0 |
0.000 |
12 |
17 |
|
D |
13 |
4 |
15496 |
x |
D |
-x+2,y-1/2,-z+1 |
2_746 |
14 |
3 |
15496 |
117.3 |
-1.5 |
0.251 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[CL]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15441 |
69.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.129 |
19 |
|
[CL]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
15325 |
69.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.129 |
20 |
|
[CL]C:802 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
15546 |
68.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
68.9 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.129 |
14 |
21 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
15546 |
37.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.123 |
22 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15441 |
36.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.123 |
23 |
|
[MG]D:702 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
15496 |
35.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.123 |
24 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
15325 |
35.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
36.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.123 |
15 |
25 |
|
[MG]D:700 |
1 |
1 |
98 |
f |
[GNP]D:500 |
x,y,z |
1_555 |
7 |
1 |
627 |
35.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.142 |
26 |
|
[MG]B:700 |
1 |
1 |
98 |
f |
[GNP]B:500 |
x,y,z |
1_555 |
7 |
1 |
627 |
35.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.142 |
27 |
|
[MG]A:700 |
1 |
1 |
98 |
f |
[GNP]A:500 |
x,y,z |
1_555 |
5 |
1 |
629 |
34.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.142 |
28 |
|
[MG]C:700 |
1 |
1 |
98 |
f |
[GNP]C:500 |
x,y,z |
1_555 |
5 |
1 |
618 |
34.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.142 |
Average: |
34.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.142 |
16 |
29 |
|
[MG]D:702 |
1 |
1 |
98 |
f |
[GNP]D:500 |
x,y,z |
1_555 |
7 |
1 |
627 |
33.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.109 |
30 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[GNP]A:500 |
x,y,z |
1_555 |
7 |
1 |
629 |
33.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.109 |
31 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[GNP]C:500 |
x,y,z |
1_555 |
6 |
1 |
618 |
33.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.109 |
32 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
[GNP]B:500 |
x,y,z |
1_555 |
7 |
1 |
627 |
32.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.109 |
Average: |
33.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.109 |
17 |
33 |
|
[MG]C:700 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
15546 |
32.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.104 |
34 |
|
[MG]A:700 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15441 |
31.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.104 |
35 |
|
[MG]D:700 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
15496 |
28.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.104 |
36 |
|
[MG]B:700 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15325 |
27.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
30.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.104 |
18 |
37 |
|
B |
4 |
2 |
15325 |
◊ |
[CL]C:802 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
125 |
24.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[CL]A:802 |
1 |
1 |
125 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
15496 |
18.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[CL]B:802 |
1 |
1 |
125 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
15441 |
13.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
18.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
40 |
|
B |
5 |
2 |
15325 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
2 |
15441 |
12.3 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
20 |
41 |
|
B |
1 |
1 |
15325 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
15496 |
12.3 |
-0.3 |
0.287 |
0 |
0 |
0 |
0.000 |
21 |
42 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[MG]A:700 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.006 |
22 |
43 |
|
C |
3 |
1 |
15546 |
x |
C |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
1 |
15546 |
10.9 |
-0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
23 |
44 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
[MG]B:700 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.006 |
24 |
45 |
|
[MG]D:702 |
1 |
1 |
98 |
f |
[MG]D:700 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.028 |
25 |
46 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[MG]C:700 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.028 |
26 |
47 |
|
D |
1 |
1 |
15496 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15325 |
0.6 |
0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
|