| ## |
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 |
316 |
84 |
20659 |
◊ |
C |
x,y,z |
1_555 |
313 |
87 |
21500 |
2940.2 |
-23.0 |
0.175 |
36 |
13 |
0 |
0.491 |
| 2 |
2 |
|
D |
263 |
78 |
20659 |
◊ |
A |
x,y,z |
1_555 |
255 |
66 |
21203 |
2469.9 |
-16.9 |
0.226 |
23 |
10 |
0 |
0.431 |
3 |
|
F |
230 |
64 |
20604 |
◊ |
C |
x,y,z |
1_555 |
230 |
64 |
21500 |
2204.8 |
-16.5 |
0.203 |
20 |
8 |
0 |
0.431 |
| Average: |
2337.4 |
-16.7 |
0.215 |
22 |
9 |
0 |
0.431 |
| 3 |
4 |
|
F |
222 |
62 |
20604 |
◊ |
B |
x,y,z |
1_555 |
221 |
63 |
20701 |
2116.4 |
-12.1 |
0.426 |
25 |
12 |
0 |
0.402 |
| 4 |
5 |
|
E |
188 |
56 |
20522 |
◊ |
B |
x,y,z |
1_555 |
189 |
56 |
20701 |
1863.5 |
-11.9 |
0.190 |
16 |
3 |
0 |
0.407 |
| 5 |
6 |
|
E |
186 |
54 |
20522 |
◊ |
A |
x,y,z |
1_555 |
196 |
57 |
21203 |
1758.3 |
-16.0 |
0.185 |
14 |
6 |
0 |
0.472 |
| 6 |
7 |
|
G |
58 |
21 |
9516 |
◊ |
A |
x,y,z |
1_555 |
73 |
20 |
21203 |
634.1 |
-8.9 |
0.231 |
1 |
2 |
0 |
0.109 |
| 7 |
8 |
|
G |
55 |
19 |
9516 |
◊ |
D |
x,y,z |
1_555 |
68 |
21 |
20659 |
578.7 |
-10.2 |
0.156 |
2 |
4 |
0 |
0.134 |
| 8 |
9 |
|
G |
56 |
20 |
9516 |
◊ |
E |
x,y,z |
1_555 |
57 |
17 |
20522 |
537.4 |
-8.9 |
0.177 |
6 |
3 |
0 |
0.191 |
| 9 |
10 |
|
A |
63 |
15 |
21203 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
57 |
15 |
21500 |
509.0 |
-7.2 |
0.160 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
G |
48 |
18 |
9516 |
◊ |
F |
x,y,z |
1_555 |
41 |
14 |
20604 |
449.7 |
-5.1 |
0.427 |
1 |
2 |
0 |
0.036 |
| 11 |
12 |
|
[ATP]F:600 |
30 |
1 |
611 |
f |
F |
x,y,z |
1_555 |
60 |
20 |
20604 |
380.7 |
-2.3 |
0.553 |
12 |
0 |
0 |
0.122 |
| 12 |
13 |
|
[ATP]B:600 |
31 |
1 |
615 |
f |
B |
x,y,z |
1_555 |
55 |
19 |
20701 |
374.3 |
-0.4 |
0.667 |
10 |
0 |
0 |
0.132 |
14 |
|
[ATP]A:600 |
31 |
1 |
619 |
f |
A |
x,y,z |
1_555 |
52 |
17 |
21203 |
371.2 |
-0.2 |
0.650 |
14 |
0 |
0 |
0.132 |
15 |
|
[ATP]C:600 |
31 |
1 |
619 |
f |
C |
x,y,z |
1_555 |
50 |
17 |
21500 |
367.9 |
-1.8 |
0.532 |
14 |
0 |
0 |
0.132 |
| Average: |
371.1 |
-0.8 |
0.616 |
13 |
0 |
0 |
0.132 |
| 13 |
16 |
|
[ADP]D:600 |
27 |
1 |
548 |
f |
D |
x,y,z |
1_555 |
53 |
16 |
20659 |
335.0 |
-5.3 |
0.518 |
13 |
0 |
0 |
0.166 |
| 14 |
17 |
|
C |
24 |
8 |
21500 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
26 |
7 |
20701 |
245.4 |
-0.4 |
0.605 |
3 |
0 |
0 |
0.000 |
| 15 |
18 |
|
G |
16 |
6 |
9516 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
20701 |
206.3 |
-2.3 |
0.420 |
1 |
2 |
0 |
0.048 |
| 16 |
19 |
|
G |
22 |
7 |
9516 |
◊ |
C |
x,y,z |
1_555 |
26 |
9 |
21500 |
188.4 |
-2.4 |
0.434 |
0 |
0 |
0 |
0.025 |
| 17 |
20 |
|
[GOL]B:701 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
20701 |
148.5 |
-1.2 |
0.466 |
4 |
0 |
0 |
0.062 |
| 18 |
21 |
|
D |
11 |
4 |
20659 |
◊ |
E |
x,y-1,z |
1_545 |
22 |
11 |
20522 |
126.2 |
0.8 |
0.796 |
1 |
2 |
0 |
0.000 |
| 19 |
22 |
|
[ATP]F:600 |
12 |
1 |
611 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
20701 |
121.4 |
-0.8 |
0.561 |
3 |
0 |
0 |
0.034 |
| 20 |
23 |
|
[ADP]D:600 |
13 |
1 |
548 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
21500 |
120.8 |
-1.0 |
0.710 |
3 |
0 |
0 |
0.028 |
| 21 |
24 |
|
[PO4]E:602 |
5 |
1 |
189 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
20522 |
102.4 |
-6.7 |
0.674 |
6 |
0 |
0 |
0.196 |
| 22 |
25 |
|
F |
10 |
4 |
20604 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
20659 |
94.1 |
-2.1 |
0.157 |
0 |
0 |
0 |
0.010 |
| 23 |
26 |
|
F |
9 |
6 |
20604 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
9 |
4 |
20701 |
85.2 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
C |
7 |
4 |
21500 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
12 |
5 |
20604 |
74.8 |
-1.4 |
0.265 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[ATP]A:600 |
10 |
1 |
619 |
◊ |
D |
x,y,z |
1_555 |
12 |
7 |
20659 |
73.0 |
0.0 |
0.636 |
0 |
0 |
0 |
0.012 |
29 |
|
[ATP]C:600 |
7 |
1 |
619 |
◊ |
F |
x,y,z |
1_555 |
13 |
8 |
20604 |
68.0 |
-0.3 |
0.569 |
1 |
0 |
0 |
0.012 |
| Average: |
70.5 |
-0.2 |
0.602 |
1 |
0 |
0 |
0.012 |
| 26 |
30 |
|
C |
5 |
2 |
21500 |
◊ |
B |
x,y-1,z |
1_545 |
9 |
4 |
20701 |
73.0 |
0.8 |
0.752 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[ATP]B:600 |
4 |
1 |
615 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
20522 |
56.8 |
-1.1 |
0.427 |
0 |
0 |
0 |
0.023 |
| 28 |
32 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
20659 |
50.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.098 |
33 |
|
[MG]F:601 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
20604 |
41.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.098 |
| Average: |
46.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.098 |
| 29 |
34 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
20701 |
44.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.112 |
35 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
21203 |
41.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.112 |
36 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
21500 |
40.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.112 |
| Average: |
42.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.112 |
| 30 |
37 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[ATP]A:600 |
x,y,z |
1_555 |
5 |
1 |
619 |
38.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.156 |
38 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
[ATP]C:600 |
x,y,z |
1_555 |
5 |
1 |
619 |
38.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.156 |
39 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
[ATP]B:600 |
x,y,z |
1_555 |
5 |
1 |
615 |
36.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.156 |
40 |
|
[MG]F:601 |
1 |
1 |
98 |
f |
[ATP]F:600 |
x,y,z |
1_555 |
5 |
1 |
611 |
31.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.156 |
| Average: |
36.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.156 |
| 31 |
41 |
|
[ADP]D:600 |
4 |
1 |
548 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.058 |
| 32 |
42 |
|
[MG]F:601 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20701 |
12.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
43 |
|
[MG]D:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21500 |
6.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
9.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
|