## |
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 |
|
C |
176 |
40 |
17080 |
x |
C |
x-y+1,x,z |
6_655 |
175 |
48 |
17080 |
1562.0 |
1.9 |
0.829 |
35 |
20 |
0 |
0.526 |
2 |
|
A |
167 |
48 |
16945 |
x |
B |
-y+2,x-y,z |
2_755 |
164 |
39 |
17155 |
1546.2 |
3.6 |
0.871 |
32 |
20 |
0 |
0.526 |
3 |
|
B |
172 |
49 |
17155 |
x |
A |
x,y,z |
1_555 |
167 |
39 |
16945 |
1538.5 |
2.1 |
0.841 |
31 |
18 |
0 |
0.526 |
Average: |
1548.9 |
2.5 |
0.847 |
33 |
19 |
0 |
0.526 |
2 |
4 |
|
B |
68 |
20 |
17155 |
◊ |
C |
x-y+1,x,z |
6_655 |
68 |
19 |
17080 |
647.4 |
3.5 |
0.862 |
11 |
8 |
0 |
0.000 |
3 |
5 |
|
[ATP]B:404 |
29 |
1 |
626 |
f |
B |
x,y,z |
1_555 |
63 |
23 |
17155 |
419.0 |
-2.5 |
0.565 |
17 |
0 |
0 |
0.343 |
6 |
|
[ATP]C:404 |
30 |
1 |
625 |
f |
C |
x,y,z |
1_555 |
60 |
23 |
17080 |
417.6 |
-3.8 |
0.504 |
16 |
0 |
0 |
0.343 |
7 |
|
[ATP]A:406 |
29 |
1 |
627 |
f |
A |
x,y,z |
1_555 |
61 |
23 |
16945 |
413.1 |
-2.1 |
0.584 |
18 |
0 |
0 |
0.343 |
Average: |
416.6 |
-2.8 |
0.551 |
17 |
0 |
0 |
0.343 |
4 |
8 |
|
C |
21 |
7 |
17080 |
x |
C |
x,y,z-1 |
1_554 |
20 |
7 |
17080 |
176.9 |
0.5 |
0.603 |
2 |
0 |
0 |
0.000 |
9 |
|
A |
17 |
8 |
16945 |
x |
A |
x,y,z-1 |
1_554 |
20 |
6 |
16945 |
163.0 |
0.1 |
0.525 |
2 |
0 |
0 |
0.000 |
10 |
|
B |
16 |
6 |
17155 |
x |
B |
x,y,z-1 |
1_554 |
21 |
7 |
17155 |
144.2 |
0.3 |
0.525 |
2 |
0 |
0 |
0.000 |
Average: |
161.4 |
0.3 |
0.551 |
2 |
0 |
0 |
0.000 |
5 |
11 |
|
[EDO]A:401 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
9 |
16945 |
100.1 |
3.3 |
0.508 |
3 |
0 |
0 |
0.000 |
6 |
12 |
|
[EDO]B:402 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
9 |
17155 |
99.9 |
3.3 |
0.497 |
4 |
0 |
0 |
0.000 |
7 |
13 |
|
[EDO]C:401 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
16 |
9 |
17080 |
97.8 |
3.3 |
0.485 |
3 |
0 |
0 |
0.000 |
8 |
14 |
|
[EDO]A:403 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
16945 |
89.2 |
2.9 |
0.496 |
3 |
0 |
0 |
0.000 |
9 |
15 |
|
[EDO]B:401 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
17155 |
87.4 |
2.9 |
0.473 |
4 |
0 |
0 |
0.000 |
16 |
|
[EDO]C:402 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
17080 |
86.5 |
2.9 |
0.469 |
4 |
0 |
0 |
0.000 |
Average: |
87.0 |
2.9 |
0.471 |
4 |
0 |
0 |
0.000 |
10 |
17 |
|
[EDO]A:402 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
16945 |
86.6 |
2.9 |
0.479 |
4 |
0 |
0 |
0.000 |
11 |
18 |
|
A |
10 |
5 |
16945 |
◊ |
A |
-x+2,-y+1,z |
4_765 |
10 |
5 |
16945 |
84.9 |
1.8 |
0.875 |
2 |
4 |
0 |
0.000 |
12 |
19 |
|
[EDO]A:404 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
17155 |
79.1 |
2.6 |
0.444 |
1 |
0 |
0 |
0.000 |
13 |
20 |
|
[EDO]A:403 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
17155 |
56.6 |
1.3 |
0.783 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
[EDO]B:401 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
16945 |
53.5 |
0.8 |
0.709 |
1 |
0 |
0 |
0.000 |
22 |
|
C |
10 |
3 |
17080 |
◊ |
[EDO]C:402 |
x-y+1,x,z |
6_655 |
4 |
1 |
183 |
53.3 |
0.8 |
0.702 |
1 |
0 |
0 |
0.000 |
Average: |
53.4 |
0.8 |
0.705 |
1 |
0 |
0 |
0.000 |
15 |
23 |
|
[EDO]A:402 |
4 |
1 |
183 |
◊ |
B |
-y+2,x-y,z |
2_755 |
11 |
3 |
17155 |
53.2 |
0.8 |
0.703 |
1 |
0 |
0 |
0.000 |
16 |
24 |
|
[EDO]A:404 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
16945 |
46.2 |
1.5 |
0.893 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
17080 |
45.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.160 |
26 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17155 |
45.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.160 |
27 |
|
[MG]A:405 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16945 |
44.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
44.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.160 |
18 |
28 |
|
[ATP]B:404 |
3 |
1 |
626 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.160 |
29 |
|
[ATP]C:404 |
3 |
1 |
625 |
f |
[MG]C:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.160 |
30 |
|
[ATP]A:406 |
3 |
1 |
627 |
f |
[MG]A:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
36.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.160 |
19 |
31 |
|
[ATP]C:404 |
5 |
1 |
625 |
◊ |
[EDO]C:401 |
x,y,z |
1_555 |
2 |
1 |
183 |
32.2 |
1.3 |
0.826 |
0 |
0 |
0 |
0.000 |
32 |
|
[ATP]B:404 |
4 |
1 |
626 |
◊ |
[EDO]B:402 |
x,y,z |
1_555 |
2 |
1 |
183 |
30.6 |
1.4 |
0.849 |
0 |
0 |
0 |
0.000 |
Average: |
31.4 |
1.4 |
0.838 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
[ATP]A:406 |
3 |
1 |
627 |
◊ |
[EDO]A:401 |
x,y,z |
1_555 |
2 |
1 |
183 |
30.1 |
1.4 |
0.847 |
0 |
0 |
0 |
0.000 |
21 |
34 |
|
[ATP]A:406 |
4 |
1 |
627 |
◊ |
B |
-y+2,x-y,z |
2_755 |
5 |
2 |
17155 |
23.5 |
0.4 |
0.632 |
0 |
0 |
0 |
0.000 |
35 |
|
C |
5 |
2 |
17080 |
◊ |
[ATP]C:404 |
x-y+1,x,z |
6_655 |
3 |
1 |
625 |
23.5 |
0.4 |
0.619 |
0 |
0 |
0 |
0.000 |
36 |
|
[ATP]B:404 |
4 |
1 |
626 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
16945 |
23.3 |
0.4 |
0.635 |
0 |
0 |
0 |
0.000 |
Average: |
23.4 |
0.4 |
0.629 |
0 |
0 |
0 |
0.000 |
22 |
37 |
|
[EDO]A:401 |
2 |
1 |
183 |
f |
B |
-y+2,x-y,z |
2_755 |
3 |
1 |
17155 |
19.4 |
0.8 |
0.873 |
0 |
0 |
0 |
0.000 |
23 |
38 |
|
C |
3 |
1 |
17080 |
f |
[EDO]C:401 |
x-y+1,x,z |
6_655 |
2 |
1 |
183 |
19.3 |
0.8 |
0.877 |
0 |
0 |
0 |
0.000 |
24 |
39 |
|
[EDO]B:402 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
16945 |
18.5 |
0.8 |
0.874 |
0 |
0 |
0 |
0.000 |
25 |
40 |
|
[ATP]B:404 |
1 |
1 |
626 |
f |
[EDO]B:401 |
x,y,z |
1_555 |
1 |
1 |
184 |
6.0 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
[ATP]A:406 |
1 |
1 |
627 |
f |
[EDO]A:402 |
x,y,z |
1_555 |
1 |
1 |
183 |
5.6 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
27 |
42 |
|
[ATP]C:404 |
1 |
1 |
625 |
f |
[EDO]C:402 |
x,y,z |
1_555 |
1 |
1 |
183 |
5.0 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
|