| ## |
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 |
117 |
30 |
18647 |
◊ |
A |
x,y,z |
1_555 |
118 |
31 |
18686 |
1127.5 |
-1.4 |
0.437 |
15 |
3 |
0 |
0.000 |
| 2 |
2 |
|
B |
56 |
15 |
18647 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
53 |
17 |
18647 |
517.2 |
2.3 |
0.672 |
6 |
3 |
0 |
0.000 |
| 3 |
3 |
|
A |
57 |
19 |
18686 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
46 |
12 |
18647 |
470.5 |
6.2 |
0.900 |
10 |
10 |
0 |
0.000 |
| 4 |
4 |
|
A |
42 |
12 |
18686 |
◊ |
B |
x,y-1,z |
1_545 |
58 |
20 |
18647 |
455.0 |
1.0 |
0.608 |
5 |
4 |
0 |
0.000 |
| 5 |
5 |
|
A |
49 |
14 |
18686 |
x |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
40 |
13 |
18686 |
405.7 |
-2.1 |
0.311 |
4 |
1 |
0 |
0.000 |
| 6 |
6 |
|
A |
38 |
11 |
18686 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
41 |
14 |
18647 |
355.2 |
-1.4 |
0.323 |
3 |
0 |
0 |
0.000 |
| 7 |
7 |
|
A |
39 |
13 |
18686 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
11 |
18686 |
347.6 |
1.7 |
0.619 |
7 |
0 |
0 |
0.000 |
| 8 |
8 |
|
B |
34 |
12 |
18647 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
29 |
8 |
18686 |
321.3 |
2.9 |
0.537 |
7 |
4 |
0 |
0.000 |
| 9 |
9 |
|
[EDO]B:907 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
18647 |
116.5 |
3.3 |
0.423 |
1 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[ACT]A:903 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
18686 |
110.5 |
-0.5 |
0.573 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[ACT]A:902 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
18686 |
104.8 |
-0.9 |
0.515 |
1 |
0 |
0 |
0.002 |
| 12 |
12 |
|
[EDO]B:906 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
18647 |
101.9 |
3.2 |
0.432 |
2 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[PO4]B:503 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
18647 |
97.4 |
-5.9 |
0.672 |
4 |
0 |
0 |
0.015 |
14 |
|
[PO4]A:502 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
18686 |
96.8 |
-6.0 |
0.713 |
3 |
0 |
0 |
0.015 |
| Average: |
97.1 |
-6.0 |
0.692 |
4 |
0 |
0 |
0.015 |
| 14 |
15 |
|
[EDO]B:905 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
18647 |
94.9 |
2.7 |
0.403 |
4 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]A:904 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
18686 |
86.9 |
1.4 |
0.160 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[PO4]B:502 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
18647 |
80.8 |
-3.9 |
0.816 |
4 |
0 |
0 |
0.011 |
| 17 |
18 |
|
[PO4]B:501 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
11 |
18647 |
80.0 |
-4.9 |
0.575 |
5 |
0 |
0 |
0.014 |
| 18 |
19 |
|
[PO4]A:501 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
18686 |
77.7 |
-4.6 |
0.638 |
5 |
0 |
0 |
0.012 |
| 19 |
20 |
|
[ACT]B:901 |
4 |
1 |
174 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
18647 |
75.6 |
-1.2 |
0.509 |
1 |
0 |
0 |
0.003 |
| 20 |
21 |
|
[PO4]A:503 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
18686 |
75.2 |
-3.0 |
0.828 |
5 |
0 |
0 |
0.009 |
| 21 |
22 |
|
[EDO]A:904 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
18647 |
65.3 |
1.1 |
0.485 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
A |
5 |
3 |
18686 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
8 |
4 |
18647 |
64.3 |
1.1 |
0.791 |
0 |
1 |
0 |
0.000 |
| 23 |
24 |
|
A |
7 |
4 |
18686 |
◊ |
[ACT]B:901 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
174 |
55.1 |
-0.6 |
0.490 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[CO]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
18686 |
54.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.019 |
26 |
|
[CO]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
18647 |
53.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
54.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.019 |
| 25 |
27 |
|
[CO]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
18647 |
47.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.009 |
28 |
|
[CO]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
18686 |
45.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
46.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| 26 |
29 |
|
B |
4 |
1 |
18647 |
x |
B |
-x+3/2,-y,z-1/2 |
2_654 |
9 |
4 |
18647 |
38.2 |
0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
A |
4 |
1 |
18686 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
1 |
18647 |
36.6 |
0.5 |
0.743 |
1 |
1 |
0 |
0.000 |
| 28 |
31 |
|
[PO4]B:503 |
4 |
1 |
189 |
f |
[PO4]B:502 |
x,y,z |
1_555 |
3 |
1 |
187 |
32.1 |
-3.0 |
0.934 |
0 |
0 |
0 |
0.006 |
| 29 |
32 |
|
[PO4]A:503 |
3 |
1 |
187 |
f |
[PO4]A:502 |
x,y,z |
1_555 |
4 |
1 |
187 |
30.7 |
-2.8 |
0.934 |
0 |
0 |
0 |
0.005 |
| 30 |
33 |
|
B |
4 |
1 |
18647 |
x |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
2 |
18647 |
30.1 |
0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[PO4]A:501 |
4 |
1 |
188 |
f |
[CO]A:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.017 |
35 |
|
[PO4]B:501 |
3 |
1 |
188 |
f |
[CO]B:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.017 |
36 |
|
[PO4]B:502 |
4 |
1 |
187 |
f |
[CO]B:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.017 |
37 |
|
[PO4]A:503 |
4 |
1 |
187 |
f |
[CO]A:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
27.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| 32 |
38 |
|
[PO4]B:502 |
4 |
1 |
187 |
f |
[PO4]B:501 |
x,y,z |
1_555 |
3 |
1 |
188 |
28.4 |
-2.5 |
0.934 |
0 |
0 |
0 |
0.005 |
| 33 |
39 |
|
[PO4]B:501 |
4 |
1 |
188 |
f |
[CO]B:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 34 |
40 |
|
[PO4]A:501 |
4 |
1 |
188 |
f |
[CO]A:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 35 |
41 |
|
[PO4]A:503 |
4 |
1 |
187 |
f |
[PO4]A:501 |
x,y,z |
1_555 |
3 |
1 |
188 |
27.2 |
-2.4 |
0.934 |
0 |
0 |
0 |
0.004 |
| 36 |
42 |
|
[ACT]A:902 |
3 |
1 |
182 |
f |
[PO4]A:503 |
x,y,z |
1_555 |
4 |
1 |
187 |
26.8 |
-0.8 |
0.923 |
0 |
0 |
0 |
0.001 |
| 37 |
43 |
|
[PO4]A:502 |
3 |
1 |
187 |
f |
[CO]A:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.006 |
44 |
|
[PO4]B:503 |
3 |
1 |
189 |
f |
[CO]B:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
20.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.006 |
| 38 |
45 |
|
A |
1 |
1 |
18686 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
18647 |
17.5 |
0.2 |
0.304 |
0 |
0 |
0 |
0.000 |
| 39 |
46 |
|
[ACT]A:902 |
1 |
1 |
182 |
f |
[PO4]A:501 |
x,y,z |
1_555 |
1 |
1 |
188 |
7.3 |
-0.2 |
0.632 |
0 |
0 |
0 |
0.000 |
| 40 |
47 |
|
[EDO]B:907 |
2 |
1 |
184 |
f |
[CO]B:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[PO4]B:503 |
1 |
1 |
189 |
f |
[PO4]B:501 |
x,y,z |
1_555 |
1 |
1 |
188 |
2.5 |
-0.3 |
0.800 |
0 |
0 |
0 |
0.000 |
| 42 |
49 |
|
[PO4]A:502 |
1 |
1 |
187 |
f |
[PO4]A:501 |
x,y,z |
1_555 |
1 |
1 |
188 |
2.5 |
-0.3 |
0.800 |
0 |
0 |
0 |
0.000 |
| 43 |
50 |
|
[EDO]B:907 |
2 |
1 |
184 |
f |
[PO4]B:501 |
x,y,z |
1_555 |
1 |
1 |
188 |
0.9 |
-0.0 |
0.894 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
[CO]A:402 |
1 |
1 |
125 |
f |
[CO]A:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[CO]B:402 |
1 |
1 |
125 |
f |
[CO]B:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|