| ## |
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 |
83 |
29 |
8073 |
◊ |
B |
x-y,-y,-z+2/3 |
5_555 |
83 |
29 |
8073 |
827.8 |
-6.8 |
0.444 |
12 |
0 |
0 |
0.234 |
2 |
|
C |
88 |
27 |
8083 |
◊ |
A |
x-y,-y,-z+2/3 |
5_555 |
86 |
27 |
8170 |
750.4 |
-7.5 |
0.392 |
11 |
0 |
0 |
0.234 |
| Average: |
789.1 |
-7.1 |
0.418 |
12 |
0 |
0 |
0.234 |
| 2 |
3 |
|
C |
88 |
22 |
8083 |
◊ |
B |
x,y,z |
1_555 |
78 |
23 |
8073 |
744.1 |
-4.1 |
0.524 |
6 |
1 |
0 |
0.223 |
4 |
|
C |
78 |
25 |
8083 |
◊ |
A |
x,y,z |
1_555 |
84 |
21 |
8170 |
738.6 |
-4.2 |
0.492 |
7 |
1 |
0 |
0.223 |
5 |
|
B |
84 |
21 |
8073 |
◊ |
A |
x,y,z |
1_555 |
75 |
24 |
8170 |
726.7 |
-4.9 |
0.465 |
6 |
1 |
0 |
0.223 |
| Average: |
736.5 |
-4.4 |
0.494 |
6 |
1 |
0 |
0.223 |
| 3 |
6 |
|
[ADP]A:158 |
26 |
1 |
518 |
f |
A |
x,y,z |
1_555 |
47 |
17 |
8170 |
332.0 |
-5.9 |
0.507 |
10 |
0 |
0 |
0.370 |
7 |
|
[ADP]C:158 |
27 |
1 |
519 |
f |
C |
x,y,z |
1_555 |
42 |
16 |
8083 |
331.6 |
-4.3 |
0.672 |
11 |
0 |
0 |
0.370 |
8 |
|
[ADP]B:158 |
27 |
1 |
522 |
f |
B |
x,y,z |
1_555 |
45 |
16 |
8073 |
328.9 |
-4.3 |
0.649 |
12 |
0 |
0 |
0.370 |
| Average: |
330.8 |
-4.8 |
0.609 |
11 |
0 |
0 |
0.370 |
| 4 |
9 |
|
A |
26 |
8 |
8170 |
◊ |
A |
y+1,x-1,-z+1 |
4_646 |
26 |
8 |
8170 |
252.1 |
-3.2 |
0.324 |
0 |
0 |
0 |
0.000 |
| 5 |
10 |
|
A |
25 |
7 |
8170 |
◊ |
B |
y,x-1,-z+1 |
4_546 |
24 |
8 |
8073 |
219.0 |
1.0 |
0.791 |
4 |
4 |
0 |
0.000 |
| 6 |
11 |
|
A |
12 |
3 |
8170 |
◊ |
C |
y,x-1,-z+1 |
4_546 |
12 |
7 |
8083 |
106.0 |
-0.2 |
0.609 |
1 |
1 |
0 |
0.000 |
| 7 |
12 |
|
B |
9 |
5 |
8073 |
◊ |
C |
x-y,-y+1,-z+2/3 |
5_565 |
14 |
3 |
8083 |
82.9 |
-1.0 |
0.492 |
0 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[BEF]C:157 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
8083 |
75.2 |
2.6 |
0.686 |
3 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[BEF]B:157 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8073 |
74.2 |
2.2 |
0.651 |
5 |
0 |
0 |
0.002 |
| 10 |
15 |
|
[BEF]A:157 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
8170 |
73.8 |
2.3 |
0.646 |
5 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[ADP]C:158 |
8 |
1 |
519 |
f |
[BEF]C:157 |
x,y,z |
1_555 |
4 |
1 |
187 |
57.0 |
-0.6 |
0.429 |
1 |
0 |
0 |
0.019 |
| 12 |
17 |
|
[ADP]A:158 |
8 |
1 |
518 |
f |
[BEF]A:157 |
x,y,z |
1_555 |
4 |
1 |
186 |
55.8 |
-0.5 |
0.435 |
1 |
0 |
0 |
0.018 |
| 13 |
18 |
|
B |
8 |
3 |
8073 |
◊ |
C |
y,x-1,-z+1 |
4_546 |
5 |
2 |
8083 |
55.3 |
0.4 |
0.738 |
1 |
2 |
0 |
0.000 |
| 14 |
19 |
|
[ADP]B:158 |
7 |
1 |
522 |
f |
[BEF]B:157 |
x,y,z |
1_555 |
4 |
1 |
186 |
54.7 |
-0.6 |
0.404 |
2 |
0 |
0 |
0.055 |
| 15 |
20 |
|
B |
5 |
2 |
8073 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
3 |
8083 |
54.2 |
1.0 |
0.793 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[MG]B:156 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
8073 |
48.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.154 |
22 |
|
[MG]C:156 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
8083 |
45.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.154 |
23 |
|
[MG]A:156 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
8170 |
43.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.154 |
| Average: |
45.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.154 |
| 17 |
24 |
|
A |
4 |
3 |
8170 |
◊ |
A |
x-y,-y,-z+2/3 |
5_555 |
4 |
3 |
8170 |
34.1 |
0.8 |
0.834 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
4 |
3 |
8083 |
◊ |
B |
x-y,-y,-z+2/3 |
5_555 |
4 |
3 |
8073 |
20.3 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
| Average: |
27.2 |
0.5 |
0.774 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
A |
4 |
2 |
8170 |
◊ |
[ADP]B:158 |
y,x-1,-z+1 |
4_546 |
3 |
1 |
522 |
33.1 |
0.7 |
0.721 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[ADP]C:158 |
5 |
1 |
519 |
f |
[MG]C:156 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.180 |
28 |
|
[ADP]A:158 |
5 |
1 |
518 |
f |
[MG]A:156 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.180 |
29 |
|
[ADP]B:158 |
5 |
1 |
522 |
f |
[MG]B:156 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.180 |
| Average: |
30.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.180 |
| 20 |
30 |
|
C |
8 |
5 |
8083 |
x |
C |
x-y,-y+1,-z+2/3 |
5_565 |
8 |
5 |
8083 |
29.7 |
0.3 |
0.716 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
[ADP]B:158 |
2 |
1 |
522 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8083 |
23.3 |
1.0 |
0.816 |
0 |
0 |
0 |
0.000 |
32 |
|
[ADP]C:158 |
2 |
1 |
519 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8170 |
22.7 |
0.9 |
0.801 |
0 |
0 |
0 |
0.000 |
33 |
|
[ADP]A:158 |
2 |
1 |
518 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8073 |
21.6 |
0.9 |
0.789 |
0 |
0 |
0 |
0.000 |
| Average: |
22.5 |
0.9 |
0.802 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
[BEF]A:157 |
3 |
1 |
186 |
f |
[MG]A:156 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.036 |
| 23 |
35 |
|
[BEF]B:157 |
2 |
1 |
186 |
f |
[MG]B:156 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.063 |
36 |
|
[BEF]C:157 |
3 |
1 |
187 |
f |
[MG]C:156 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
21.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.063 |
|