| ## |
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 |
198 |
47 |
7926 |
◊ |
C |
x,y,z |
1_555 |
188 |
43 |
7977 |
1961.4 |
-23.0 |
0.282 |
31 |
9 |
0 |
1.000 |
2 |
|
B |
194 |
43 |
7876 |
◊ |
A |
x,y,z |
1_555 |
187 |
47 |
8043 |
1950.7 |
-20.6 |
0.345 |
31 |
8 |
0 |
1.000 |
3 |
|
F |
191 |
43 |
7928 |
◊ |
E |
x,y,z |
1_555 |
184 |
45 |
7903 |
1913.9 |
-24.0 |
0.253 |
33 |
8 |
0 |
1.000 |
| Average: |
1942.0 |
-22.5 |
0.293 |
32 |
8 |
0 |
1.000 |
| 2 |
4 |
|
K |
47 |
9 |
1425 |
◊ |
E |
x,y,z |
1_555 |
60 |
20 |
7903 |
553.2 |
-4.4 |
0.757 |
8 |
0 |
0 |
0.922 |
5 |
|
I |
47 |
9 |
1409 |
◊ |
A |
x,y,z |
1_555 |
54 |
20 |
8043 |
547.1 |
-4.6 |
0.708 |
11 |
0 |
0 |
0.922 |
| Average: |
550.2 |
-4.5 |
0.733 |
10 |
0 |
0 |
0.922 |
| 3 |
6 |
|
K |
46 |
8 |
1425 |
◊ |
F |
x,y,z |
1_555 |
59 |
22 |
7928 |
536.1 |
-8.0 |
0.587 |
6 |
0 |
0 |
0.939 |
7 |
|
I |
46 |
8 |
1409 |
◊ |
B |
x,y,z |
1_555 |
59 |
21 |
7876 |
532.9 |
-8.6 |
0.538 |
7 |
0 |
0 |
0.939 |
| Average: |
534.5 |
-8.3 |
0.563 |
7 |
0 |
0 |
0.939 |
| 4 |
8 |
|
J |
45 |
8 |
1333 |
◊ |
C |
x,y,z |
1_555 |
57 |
19 |
7977 |
515.3 |
-4.9 |
0.670 |
7 |
0 |
0 |
1.000 |
| 5 |
9 |
|
J |
43 |
7 |
1333 |
◊ |
D |
x,y,z |
1_555 |
52 |
19 |
7926 |
484.9 |
-7.3 |
0.598 |
7 |
0 |
0 |
1.000 |
| 6 |
10 |
|
F |
48 |
14 |
7928 |
◊ |
C |
x,y,z |
1_555 |
47 |
14 |
7977 |
462.4 |
-4.9 |
0.477 |
5 |
0 |
0 |
0.000 |
11 |
|
D |
51 |
15 |
7926 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
8043 |
429.8 |
-5.2 |
0.389 |
2 |
0 |
0 |
0.000 |
12 |
|
E |
39 |
13 |
7903 |
◊ |
B |
x,y,z |
1_555 |
41 |
14 |
7876 |
413.3 |
-4.7 |
0.436 |
6 |
0 |
0 |
0.000 |
| Average: |
435.2 |
-5.0 |
0.434 |
4 |
0 |
0 |
0.000 |
| 7 |
13 |
|
D |
32 |
9 |
7926 |
◊ |
D |
-x+2,y,-z+1 |
2_756 |
32 |
9 |
7926 |
312.6 |
1.1 |
0.859 |
4 |
0 |
0 |
0.000 |
| 8 |
14 |
|
B |
26 |
8 |
7876 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
32 |
9 |
7977 |
312.1 |
-4.8 |
0.293 |
3 |
0 |
0 |
0.000 |
15 |
|
E |
30 |
10 |
7903 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
29 |
11 |
7926 |
304.3 |
-4.7 |
0.313 |
3 |
0 |
0 |
0.000 |
16 |
|
F |
25 |
9 |
7928 |
◊ |
A |
x,y-1,z |
1_545 |
30 |
8 |
8043 |
299.7 |
-3.8 |
0.356 |
4 |
0 |
0 |
0.000 |
| Average: |
305.4 |
-4.4 |
0.321 |
3 |
0 |
0 |
0.000 |
| 9 |
17 |
|
F |
21 |
7 |
7928 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
19 |
6 |
8043 |
149.4 |
0.8 |
0.812 |
6 |
0 |
0 |
0.000 |
| 10 |
18 |
|
D |
13 |
6 |
7926 |
◊ |
D |
-x+2,y,-z+2 |
2_757 |
13 |
6 |
7926 |
97.8 |
1.4 |
0.864 |
1 |
0 |
0 |
0.000 |
19 |
|
F |
9 |
3 |
7928 |
◊ |
B |
-x+3/2,y-1/2,-z+2 |
4_647 |
9 |
3 |
7876 |
87.7 |
-0.6 |
0.594 |
1 |
0 |
0 |
0.000 |
| Average: |
92.8 |
0.4 |
0.729 |
1 |
0 |
0 |
0.000 |
| 11 |
20 |
|
C |
13 |
8 |
7977 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
12 |
5 |
7876 |
93.3 |
0.8 |
0.818 |
0 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[ACE]K:401 |
3 |
1 |
171 |
cf |
K |
x,y,z |
1_555 |
5 |
2 |
1425 |
55.0 |
-0.2 |
0.860 |
1 |
0 |
0 |
0.100 |
| 13 |
22 |
|
[ACE]I:401 |
3 |
1 |
172 |
cf |
I |
x,y,z |
1_555 |
6 |
2 |
1409 |
54.9 |
-0.2 |
0.868 |
1 |
0 |
0 |
0.100 |
| 14 |
23 |
|
E |
8 |
2 |
7903 |
◊ |
B |
-x+3/2,y-1/2,-z+2 |
4_647 |
8 |
2 |
7876 |
52.8 |
-0.8 |
0.496 |
1 |
0 |
0 |
0.026 |
24 |
|
F |
8 |
3 |
7928 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
9 |
3 |
8043 |
51.5 |
-0.8 |
0.480 |
1 |
0 |
0 |
0.026 |
25 |
|
D |
8 |
3 |
7926 |
◊ |
C |
-x+2,y,-z+2 |
2_757 |
8 |
2 |
7977 |
48.7 |
-0.8 |
0.488 |
1 |
0 |
0 |
0.026 |
| Average: |
51.0 |
-0.8 |
0.488 |
1 |
0 |
0 |
0.026 |
| 15 |
26 |
|
[PO4]A:201 |
4 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
8043 |
51.9 |
-2.2 |
0.881 |
1 |
0 |
0 |
0.208 |
| 16 |
27 |
|
E |
6 |
3 |
7903 |
◊ |
[PO4]A:201 |
-x+3/2,y-1/2,-z+2 |
4_647 |
4 |
1 |
190 |
48.5 |
-2.2 |
0.868 |
1 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[PO4]C:202 |
4 |
1 |
189 |
◊ |
C |
-x+2,y,-z+2 |
2_757 |
8 |
3 |
7977 |
47.4 |
-1.9 |
0.876 |
1 |
0 |
0 |
0.048 |
| 18 |
29 |
|
[PO4]A:201 |
3 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
7876 |
44.5 |
-2.2 |
0.786 |
1 |
0 |
0 |
0.064 |
| 19 |
30 |
|
F |
6 |
3 |
7928 |
◊ |
[PO4]A:201 |
-x+3/2,y-1/2,-z+2 |
4_647 |
4 |
1 |
190 |
44.1 |
-2.1 |
0.787 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[PO4]C:202 |
5 |
1 |
189 |
◊ |
D |
-x+2,y,-z+2 |
2_757 |
5 |
2 |
7926 |
43.0 |
-1.2 |
0.927 |
1 |
0 |
0 |
0.034 |
| 21 |
32 |
|
[PO4]C:202 |
4 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
7926 |
42.9 |
-0.9 |
0.911 |
1 |
0 |
0 |
0.029 |
| 22 |
33 |
|
[PO4]C:202 |
5 |
1 |
189 |
f |
[PO4]C:202 |
-x+2,y,-z+2 |
2_757 |
5 |
1 |
189 |
42.0 |
-3.6 |
0.993 |
0 |
0 |
0 |
0.100 |
| 23 |
34 |
|
[PO4]C:202 |
4 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
7977 |
36.9 |
-1.5 |
0.836 |
0 |
0 |
0 |
0.032 |
| 24 |
35 |
|
E |
4 |
1 |
7903 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
4 |
1 |
8043 |
25.8 |
-0.5 |
0.444 |
0 |
0 |
0 |
0.006 |
36 |
|
C |
4 |
1 |
7977 |
◊ |
C |
-x+2,y,-z+2 |
2_757 |
4 |
1 |
7977 |
25.0 |
-0.5 |
0.422 |
0 |
0 |
0 |
0.006 |
| Average: |
25.4 |
-0.5 |
0.433 |
0 |
0 |
0 |
0.006 |
| 25 |
37 |
|
E |
3 |
2 |
7903 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
8043 |
25.2 |
0.9 |
0.925 |
0 |
0 |
0 |
0.000 |
38 |
|
E |
1 |
1 |
7903 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
7977 |
8.9 |
0.7 |
0.932 |
0 |
0 |
0 |
0.000 |
| Average: |
17.0 |
0.8 |
0.929 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
[ACE]I:401 |
2 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
7876 |
14.9 |
-0.5 |
0.547 |
0 |
0 |
0 |
0.037 |
| 27 |
40 |
|
E |
3 |
2 |
7903 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
2 |
2 |
8043 |
9.0 |
0.0 |
0.664 |
0 |
0 |
0 |
0.000 |
| 28 |
41 |
|
[ACE]K:401 |
2 |
1 |
171 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7928 |
6.6 |
-0.0 |
0.846 |
0 |
0 |
0 |
0.002 |
|