## |
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 |
|
A |
236 |
65 |
11542 |
◊ |
B |
x,y,z |
1_555 |
224 |
61 |
13368 |
2264.1 |
-28.6 |
0.071 |
22 |
0 |
0 |
0.493 |
2 |
|
E |
238 |
67 |
13341 |
◊ |
F |
x,y,z |
1_555 |
223 |
60 |
13302 |
2258.2 |
-28.5 |
0.081 |
26 |
0 |
0 |
0.493 |
3 |
|
C |
238 |
66 |
11448 |
◊ |
D |
x,y,z |
1_555 |
218 |
61 |
13267 |
2248.9 |
-27.9 |
0.081 |
20 |
0 |
0 |
0.493 |
Average: |
2257.1 |
-28.3 |
0.078 |
23 |
0 |
0 |
0.493 |
2 |
4 |
|
C |
102 |
29 |
11448 |
◊ |
B |
x,y,z |
1_555 |
101 |
28 |
13368 |
1045.6 |
-17.6 |
0.032 |
6 |
1 |
0 |
0.340 |
5 |
|
A |
103 |
32 |
11542 |
◊ |
F |
x,y,z |
1_555 |
101 |
28 |
13302 |
1042.9 |
-17.6 |
0.039 |
7 |
1 |
0 |
0.340 |
6 |
|
E |
104 |
31 |
13341 |
◊ |
D |
x,y,z |
1_555 |
102 |
28 |
13267 |
1042.6 |
-16.4 |
0.063 |
6 |
1 |
0 |
0.340 |
Average: |
1043.7 |
-17.2 |
0.045 |
6 |
1 |
0 |
0.340 |
3 |
7 |
|
E |
66 |
17 |
13341 |
◊ |
A |
x-y,-y,-z |
8_555 |
72 |
19 |
11542 |
556.0 |
0.7 |
0.782 |
5 |
1 |
0 |
0.000 |
8 |
|
C |
67 |
17 |
11448 |
◊ |
C |
x-y,-y,-z |
8_555 |
67 |
17 |
11448 |
542.8 |
3.1 |
0.878 |
4 |
2 |
0 |
0.000 |
Average: |
549.4 |
1.9 |
0.830 |
5 |
2 |
0 |
0.000 |
4 |
9 |
|
E |
50 |
15 |
13341 |
◊ |
C |
x,y,z |
1_555 |
49 |
13 |
11448 |
506.7 |
-6.0 |
0.216 |
6 |
1 |
0 |
0.332 |
10 |
|
E |
44 |
13 |
13341 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
11542 |
506.4 |
-7.0 |
0.148 |
6 |
1 |
0 |
0.332 |
11 |
|
C |
51 |
16 |
11448 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
11542 |
498.2 |
-5.8 |
0.226 |
5 |
0 |
0 |
0.332 |
Average: |
503.8 |
-6.3 |
0.197 |
6 |
1 |
0 |
0.332 |
5 |
12 |
|
D |
42 |
14 |
13267 |
◊ |
B |
x,y,z |
1_555 |
62 |
16 |
13368 |
506.5 |
-8.2 |
0.082 |
0 |
0 |
0 |
0.183 |
13 |
|
F |
41 |
13 |
13302 |
◊ |
D |
x,y,z |
1_555 |
57 |
16 |
13267 |
501.0 |
-7.9 |
0.096 |
0 |
0 |
0 |
0.183 |
14 |
|
F |
61 |
16 |
13302 |
◊ |
B |
x,y,z |
1_555 |
41 |
13 |
13368 |
500.7 |
-8.0 |
0.092 |
0 |
0 |
0 |
0.183 |
Average: |
502.7 |
-8.0 |
0.090 |
0 |
0 |
0 |
0.183 |
6 |
15 |
|
D |
60 |
16 |
13267 |
◊ |
D |
-x,-x+y,-z-1/3 |
9_554 |
60 |
16 |
13267 |
480.9 |
2.1 |
0.912 |
4 |
0 |
0 |
0.000 |
7 |
16 |
|
[ATP]E:301 |
30 |
1 |
640 |
f |
E |
x,y,z |
1_555 |
60 |
27 |
13341 |
408.6 |
-1.7 |
0.608 |
12 |
0 |
0 |
0.266 |
17 |
|
[ATP]C:301 |
30 |
1 |
643 |
f |
C |
x,y,z |
1_555 |
64 |
27 |
11448 |
408.0 |
-1.8 |
0.615 |
12 |
0 |
0 |
0.266 |
18 |
|
[ATP]A:301 |
31 |
1 |
638 |
f |
A |
x,y,z |
1_555 |
64 |
27 |
11542 |
405.2 |
-1.8 |
0.627 |
12 |
0 |
0 |
0.266 |
Average: |
407.3 |
-1.8 |
0.617 |
12 |
0 |
0 |
0.266 |
8 |
19 |
|
E |
39 |
8 |
13341 |
◊ |
F |
-x+y+1,y,-z |
11_655 |
43 |
12 |
13302 |
384.0 |
-5.8 |
0.228 |
4 |
0 |
0 |
0.082 |
9 |
20 |
|
E |
46 |
12 |
13341 |
◊ |
E |
-x+y+1,y,-z |
11_655 |
46 |
12 |
13341 |
374.2 |
-5.9 |
0.215 |
4 |
0 |
0 |
0.042 |
10 |
21 |
|
[ADP]B:301 |
26 |
1 |
558 |
f |
B |
x,y,z |
1_555 |
57 |
23 |
13368 |
356.1 |
-4.2 |
0.714 |
8 |
0 |
0 |
0.088 |
11 |
22 |
|
[ADP]D:301 |
25 |
1 |
565 |
f |
D |
x,y,z |
1_555 |
58 |
23 |
13267 |
349.9 |
-4.7 |
0.667 |
9 |
0 |
0 |
0.127 |
12 |
23 |
|
[ADP]F:301 |
27 |
1 |
538 |
f |
F |
x,y,z |
1_555 |
42 |
17 |
13302 |
327.1 |
1.5 |
0.913 |
6 |
0 |
0 |
0.018 |
13 |
24 |
|
B |
35 |
13 |
13368 |
◊ |
D |
x-y,x,z-1/3 |
6_554 |
32 |
11 |
13267 |
291.9 |
-1.9 |
0.590 |
5 |
1 |
0 |
0.027 |
14 |
25 |
|
B |
15 |
5 |
13368 |
◊ |
B |
-y,-x,-z-2/3 |
10_554 |
15 |
5 |
13368 |
150.6 |
0.2 |
0.726 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
A |
14 |
4 |
11542 |
◊ |
A |
-x+1,-y,z |
4_655 |
14 |
4 |
11542 |
138.2 |
1.9 |
0.860 |
2 |
0 |
0 |
0.000 |
16 |
27 |
|
A |
17 |
5 |
11542 |
◊ |
B |
-x+1,-y,z |
4_655 |
11 |
3 |
13368 |
120.5 |
0.6 |
0.737 |
1 |
0 |
0 |
0.000 |
17 |
28 |
|
[PO4]F:302 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
21 |
12 |
13302 |
112.7 |
-7.2 |
0.760 |
5 |
0 |
0 |
0.153 |
18 |
29 |
|
[PO4]B:303 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
13368 |
111.5 |
-7.4 |
0.756 |
5 |
0 |
0 |
0.109 |
19 |
30 |
|
[PO4]D:303 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
22 |
12 |
13267 |
110.3 |
-7.4 |
0.758 |
5 |
0 |
0 |
0.140 |
20 |
31 |
|
[PO4]F:303 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
18 |
9 |
13302 |
108.7 |
-6.7 |
0.784 |
6 |
0 |
0 |
0.152 |
21 |
32 |
|
[PO4]B:302 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
13368 |
75.6 |
-4.1 |
0.807 |
7 |
0 |
0 |
0.082 |
22 |
33 |
|
[PO4]B:302 |
5 |
1 |
188 |
f |
[ADP]B:301 |
x,y,z |
1_555 |
5 |
1 |
558 |
70.9 |
-6.3 |
0.473 |
0 |
0 |
0 |
0.071 |
23 |
34 |
|
[PO4]B:304 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
13368 |
70.3 |
-3.8 |
0.830 |
5 |
0 |
0 |
0.068 |
24 |
35 |
|
[NA]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
13368 |
59.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.113 |
25 |
36 |
|
[ATP]A:301 |
10 |
1 |
638 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
13368 |
54.3 |
-0.8 |
0.500 |
0 |
0 |
0 |
0.007 |
37 |
|
[ATP]C:301 |
9 |
1 |
643 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
13267 |
53.3 |
-0.6 |
0.463 |
0 |
0 |
0 |
0.007 |
38 |
|
[ATP]E:301 |
9 |
1 |
640 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
13302 |
52.6 |
-0.6 |
0.459 |
0 |
0 |
0 |
0.007 |
Average: |
53.4 |
-0.7 |
0.474 |
0 |
0 |
0 |
0.007 |
26 |
39 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[ADP]D:301 |
x,y,z |
1_555 |
4 |
1 |
565 |
37.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.087 |
27 |
40 |
|
[MG]E:302 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
5 |
13341 |
36.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.199 |
41 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
11542 |
36.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.199 |
42 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
11448 |
36.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.199 |
Average: |
36.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.199 |
28 |
43 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
[ATP]C:301 |
x,y,z |
1_555 |
5 |
1 |
643 |
34.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.203 |
44 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[ATP]A:301 |
x,y,z |
1_555 |
4 |
1 |
638 |
34.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.203 |
45 |
|
[MG]E:302 |
1 |
1 |
98 |
f |
[ATP]E:301 |
x,y,z |
1_555 |
5 |
1 |
640 |
33.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.203 |
Average: |
34.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.203 |
29 |
46 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
13267 |
34.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.050 |
30 |
47 |
|
[PO4]B:304 |
3 |
1 |
188 |
◊ |
D |
x-y,x,z-1/3 |
6_554 |
3 |
1 |
13267 |
33.8 |
-1.2 |
0.891 |
1 |
0 |
0 |
0.010 |
31 |
48 |
|
[NA]B:305 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
13267 |
26.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.025 |
32 |
49 |
|
[PO4]F:303 |
3 |
1 |
188 |
f |
[ADP]F:301 |
x,y,z |
1_555 |
3 |
1 |
538 |
22.7 |
-1.5 |
0.739 |
0 |
0 |
0 |
0.024 |
33 |
50 |
|
A |
4 |
3 |
11542 |
◊ |
A |
x-y,-y,-z |
8_555 |
4 |
3 |
11542 |
18.8 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
51 |
|
E |
3 |
2 |
13341 |
◊ |
C |
x-y,-y,-z |
8_555 |
3 |
2 |
11448 |
18.0 |
-0.1 |
0.592 |
0 |
0 |
0 |
0.000 |
Average: |
18.4 |
-0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
34 |
52 |
|
[PO4]B:303 |
3 |
1 |
189 |
f |
[ADP]B:301 |
x,y,z |
1_555 |
4 |
1 |
558 |
17.4 |
-1.7 |
0.685 |
0 |
0 |
0 |
0.019 |
35 |
53 |
|
[PO4]D:303 |
3 |
1 |
187 |
f |
[ADP]D:301 |
x,y,z |
1_555 |
3 |
1 |
565 |
16.6 |
-1.6 |
0.663 |
0 |
0 |
0 |
0.024 |
36 |
54 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[PO4]D:303 |
x,y,z |
1_555 |
3 |
1 |
187 |
15.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.034 |
37 |
55 |
|
D |
2 |
2 |
13267 |
◊ |
B |
-x,-x+y,-z-1/3 |
9_554 |
2 |
2 |
13368 |
15.5 |
0.8 |
0.900 |
0 |
0 |
0 |
0.000 |
38 |
56 |
|
[PO4]F:303 |
4 |
1 |
188 |
f |
[PO4]F:302 |
x,y,z |
1_555 |
3 |
1 |
188 |
15.0 |
-1.3 |
0.995 |
0 |
0 |
0 |
0.022 |
39 |
57 |
|
[PO4]B:303 |
3 |
1 |
189 |
f |
[PO4]B:302 |
x,y,z |
1_555 |
3 |
1 |
188 |
12.6 |
-1.1 |
0.992 |
0 |
0 |
0 |
0.012 |
40 |
58 |
|
B |
1 |
1 |
13368 |
◊ |
[ADP]D:301 |
x-y,x,z-1/3 |
6_554 |
2 |
1 |
565 |
6.2 |
0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
41 |
59 |
|
E |
1 |
1 |
13341 |
◊ |
A |
-x+y+1,y,-z |
11_655 |
1 |
1 |
11542 |
1.3 |
-0.0 |
0.498 |
0 |
0 |
0 |
0.000 |
42 |
60 |
|
[ADP]F:301 |
1 |
1 |
538 |
◊ |
E |
-x+y+1,y,-z |
11_655 |
1 |
1 |
13341 |
0.4 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
|