| ## |
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 |
65 |
20 |
32240 |
◊ |
A |
x,y,z |
1_555 |
65 |
20 |
31467 |
622.3 |
7.0 |
0.979 |
10 |
6 |
0 |
0.000 |
| 2 |
2 |
|
[ADP]B:803 |
27 |
1 |
554 |
f |
B |
x,y,z |
1_555 |
61 |
24 |
32240 |
373.2 |
-5.4 |
0.591 |
9 |
0 |
0 |
0.045 |
3 |
|
[ADP]A:803 |
27 |
1 |
551 |
f |
A |
x,y,z |
1_555 |
63 |
23 |
31467 |
371.2 |
-5.4 |
0.597 |
10 |
0 |
0 |
0.045 |
| Average: |
372.2 |
-5.4 |
0.594 |
10 |
0 |
0 |
0.045 |
| 3 |
4 |
|
A |
37 |
9 |
31467 |
◊ |
B |
x,y-1,z |
1_545 |
35 |
10 |
32240 |
332.8 |
-0.5 |
0.650 |
2 |
2 |
0 |
0.000 |
| 4 |
5 |
|
B |
30 |
13 |
32240 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
31 |
11 |
32240 |
307.2 |
-2.1 |
0.205 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
24 |
8 |
31467 |
x |
A |
-x,y-1/2,-z |
2_545 |
21 |
8 |
31467 |
202.6 |
-0.9 |
0.464 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
21 |
8 |
31467 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
19 |
7 |
32240 |
182.8 |
1.0 |
0.756 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
15 |
4 |
32240 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
16 |
7 |
31467 |
125.5 |
-0.3 |
0.595 |
0 |
1 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]A:804 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
31467 |
115.2 |
2.9 |
0.416 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]B:804 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
32240 |
114.6 |
3.2 |
0.498 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[DMS]A:805 |
4 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
31467 |
112.4 |
1.3 |
0.338 |
2 |
0 |
0 |
0.000 |
| 11 |
12 |
|
A |
9 |
5 |
31467 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
31467 |
108.0 |
-3.1 |
0.063 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]B:805 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
32240 |
104.4 |
3.2 |
0.470 |
1 |
0 |
0 |
0.000 |
| 13 |
14 |
|
B |
7 |
2 |
32240 |
x |
B |
-x-1,y-1/2,-z+1 |
2_446 |
13 |
5 |
32240 |
97.3 |
-1.2 |
0.208 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[VO4]B:802 |
5 |
1 |
205 |
f |
B |
x,y,z |
1_555 |
29 |
15 |
32240 |
97.0 |
-2.1 |
0.721 |
0 |
0 |
0 |
0.010 |
16 |
|
[VO4]A:802 |
5 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
29 |
14 |
31467 |
96.7 |
-2.3 |
0.710 |
0 |
0 |
0 |
0.010 |
| Average: |
96.8 |
-2.2 |
0.716 |
0 |
0 |
0 |
0.010 |
| 15 |
17 |
|
B |
12 |
8 |
32240 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
8 |
31467 |
75.2 |
-0.1 |
0.489 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[ADP]B:803 |
5 |
1 |
554 |
f |
[VO4]B:802 |
x,y,z |
1_555 |
4 |
1 |
205 |
47.8 |
-4.0 |
0.401 |
0 |
0 |
0 |
0.019 |
19 |
|
[ADP]A:803 |
5 |
1 |
551 |
f |
[VO4]A:802 |
x,y,z |
1_555 |
3 |
1 |
205 |
47.2 |
-3.9 |
0.373 |
0 |
0 |
0 |
0.019 |
| Average: |
47.5 |
-3.9 |
0.387 |
0 |
0 |
0 |
0.019 |
| 17 |
20 |
|
[MG]A:801 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
31467 |
36.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.025 |
21 |
|
[MG]B:801 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
32240 |
35.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
36.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.025 |
| 18 |
22 |
|
[ADP]A:803 |
4 |
1 |
551 |
f |
[MG]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.018 |
23 |
|
[ADP]B:803 |
4 |
1 |
554 |
f |
[MG]B:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
26.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| 19 |
24 |
|
[VO4]B:802 |
2 |
1 |
205 |
f |
[MG]B:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
25 |
|
[VO4]A:802 |
2 |
1 |
205 |
f |
[MG]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
21.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.011 |
|