| ## |
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 |
94 |
25 |
20555 |
◊ |
A |
y,x-1,-z |
4_545 |
97 |
26 |
20762 |
862.9 |
-14.7 |
0.044 |
2 |
0 |
0 |
0.505 |
| 2 |
2 |
|
C |
64 |
16 |
4869 |
◊ |
A |
x,y,z |
1_555 |
86 |
23 |
20762 |
708.4 |
-5.0 |
0.376 |
12 |
3 |
0 |
0.302 |
3 |
|
D |
59 |
16 |
4930 |
◊ |
B |
x,y,z |
1_555 |
83 |
21 |
20555 |
683.5 |
-6.0 |
0.284 |
11 |
3 |
0 |
0.302 |
| Average: |
696.0 |
-5.5 |
0.330 |
12 |
3 |
0 |
0.302 |
| 3 |
4 |
|
B |
59 |
18 |
20555 |
◊ |
A |
x,y,z |
1_555 |
59 |
19 |
20762 |
618.9 |
-1.0 |
0.678 |
9 |
0 |
0 |
0.007 |
| 4 |
5 |
|
A |
64 |
15 |
20762 |
◊ |
A |
y,x,-z |
4_555 |
64 |
15 |
20762 |
618.0 |
-5.6 |
0.328 |
4 |
0 |
0 |
0.183 |
6 |
|
B |
65 |
16 |
20555 |
◊ |
B |
y+1,x-1,-z |
4_645 |
64 |
16 |
20555 |
617.7 |
-5.6 |
0.315 |
4 |
0 |
0 |
0.183 |
| Average: |
617.9 |
-5.6 |
0.322 |
4 |
0 |
0 |
0.183 |
| 5 |
7 |
|
C |
57 |
15 |
4869 |
◊ |
B |
x-y,-y,-z+1/3 |
5_555 |
53 |
20 |
20555 |
502.6 |
-2.4 |
0.503 |
6 |
0 |
0 |
0.000 |
8 |
|
D |
59 |
15 |
4930 |
◊ |
A |
x-y,-y,-z+1/3 |
5_555 |
51 |
18 |
20762 |
500.1 |
-2.2 |
0.535 |
6 |
0 |
0 |
0.000 |
| Average: |
501.4 |
-2.3 |
0.519 |
6 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[ATP]A:701 |
28 |
1 |
587 |
f |
A |
x,y,z |
1_555 |
61 |
21 |
20762 |
394.6 |
0.3 |
0.675 |
8 |
0 |
0 |
0.212 |
10 |
|
[ATP]B:601 |
30 |
1 |
590 |
f |
B |
x,y,z |
1_555 |
59 |
20 |
20555 |
393.0 |
0.7 |
0.695 |
9 |
0 |
0 |
0.212 |
| Average: |
393.8 |
0.5 |
0.685 |
9 |
0 |
0 |
0.212 |
| 7 |
11 |
|
B |
20 |
6 |
20555 |
◊ |
A |
x,y-1,z |
1_545 |
18 |
6 |
20762 |
208.2 |
-1.1 |
0.523 |
2 |
0 |
0 |
0.050 |
| 8 |
12 |
|
[HEZ]A:703 |
8 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
22 |
14 |
20762 |
199.3 |
6.2 |
0.217 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[HEZ]B:603 |
8 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
29 |
16 |
20555 |
197.9 |
5.6 |
0.209 |
3 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[HEZ]A:702 |
7 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
20762 |
138.4 |
3.2 |
0.124 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[HEZ]B:602 |
8 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
20555 |
137.8 |
3.4 |
0.017 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
C |
12 |
3 |
4869 |
◊ |
C |
x-y,-y,-z+1/3 |
5_555 |
12 |
3 |
4869 |
125.6 |
0.8 |
0.726 |
2 |
0 |
0 |
0.000 |
17 |
|
D |
10 |
4 |
4930 |
◊ |
D |
x-y,-y,-z+1/3 |
5_555 |
10 |
4 |
4930 |
122.8 |
1.2 |
0.791 |
2 |
0 |
0 |
0.000 |
| Average: |
124.2 |
1.0 |
0.759 |
2 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[PO4]D:101 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
4930 |
91.1 |
-4.6 |
0.823 |
2 |
0 |
0 |
0.075 |
| 14 |
19 |
|
[PO4]C:101 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
4869 |
89.1 |
-4.6 |
0.808 |
2 |
0 |
0 |
0.076 |
| 15 |
20 |
|
[PO4]A:707 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
20762 |
84.1 |
-4.2 |
0.927 |
3 |
0 |
0 |
0.179 |
| 16 |
21 |
|
[HEZ]A:702 |
7 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
4869 |
83.9 |
2.4 |
0.764 |
1 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[HEZ]B:602 |
6 |
1 |
293 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
4930 |
81.4 |
2.6 |
0.777 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[PO4]A:706 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
20762 |
80.9 |
-3.5 |
0.902 |
1 |
0 |
0 |
0.127 |
| 19 |
24 |
|
[PO4]A:706 |
5 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
20555 |
78.3 |
-3.4 |
0.898 |
1 |
0 |
0 |
0.005 |
| 20 |
25 |
|
[PO4]B:605 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
20555 |
77.1 |
-3.5 |
0.922 |
2 |
0 |
0 |
0.143 |
| 21 |
26 |
|
[PO4]B:604 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
4930 |
70.7 |
-4.5 |
0.617 |
0 |
0 |
0 |
0.061 |
| 22 |
27 |
|
[PO4]A:705 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
4869 |
69.9 |
-4.5 |
0.627 |
0 |
0 |
0 |
0.061 |
| 23 |
28 |
|
[PO4]A:704 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
20555 |
66.6 |
-3.6 |
0.812 |
2 |
0 |
0 |
0.145 |
| 24 |
29 |
|
[PO4]A:704 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
20762 |
66.1 |
-3.5 |
0.821 |
2 |
0 |
0 |
0.006 |
| 25 |
30 |
|
[PO4]A:705 |
4 |
1 |
188 |
f |
[HEZ]A:702 |
x,y,z |
1_555 |
7 |
1 |
290 |
47.2 |
-1.7 |
0.986 |
1 |
0 |
0 |
0.030 |
| 26 |
31 |
|
[PO4]B:604 |
4 |
1 |
188 |
f |
[HEZ]B:602 |
x,y,z |
1_555 |
7 |
1 |
293 |
43.6 |
-1.6 |
0.986 |
1 |
0 |
0 |
0.028 |
| 27 |
32 |
|
[PO4]A:705 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
20762 |
40.4 |
-2.4 |
0.468 |
1 |
0 |
0 |
0.039 |
| 28 |
33 |
|
[PO4]B:604 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
20555 |
39.1 |
-2.4 |
0.485 |
1 |
0 |
0 |
0.038 |
| 29 |
34 |
|
[PO4]D:101 |
1 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
20555 |
13.9 |
-0.7 |
0.766 |
0 |
0 |
0 |
0.009 |
| 30 |
35 |
|
[PO4]A:706 |
2 |
1 |
190 |
◊ |
[PO4]A:704 |
x,y,z |
1_555 |
2 |
1 |
188 |
10.5 |
-1.1 |
0.960 |
0 |
0 |
0 |
0.002 |
| 31 |
36 |
|
[PO4]C:101 |
1 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
20762 |
9.9 |
-0.4 |
0.782 |
0 |
0 |
0 |
0.006 |
|