## |
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 |
92 |
29 |
23470 |
◊ |
A |
x,y,z |
1_555 |
83 |
25 |
23511 |
816.7 |
-2.1 |
0.662 |
11 |
2 |
0 |
0.000 |
2 |
|
C |
81 |
25 |
23470 |
◊ |
B |
x,y,z |
1_555 |
94 |
28 |
23256 |
816.3 |
-2.1 |
0.716 |
11 |
2 |
0 |
0.000 |
3 |
|
B |
79 |
22 |
23256 |
◊ |
A |
x,y,z |
1_555 |
89 |
29 |
23511 |
773.6 |
-2.6 |
0.620 |
10 |
0 |
0 |
0.000 |
Average: |
802.2 |
-2.3 |
0.666 |
11 |
1 |
0 |
0.000 |
2 |
4 |
|
[ATP]C:703 |
31 |
1 |
626 |
f |
C |
x,y,z |
1_555 |
63 |
23 |
23470 |
337.4 |
-1.9 |
0.597 |
6 |
0 |
0 |
0.027 |
5 |
|
[ATP]B:703 |
31 |
1 |
624 |
f |
B |
x,y,z |
1_555 |
74 |
28 |
23256 |
329.3 |
-0.7 |
0.698 |
15 |
0 |
0 |
0.027 |
6 |
|
[ATP]A:703 |
31 |
1 |
629 |
f |
A |
x,y,z |
1_555 |
73 |
28 |
23511 |
325.1 |
-0.8 |
0.638 |
12 |
0 |
0 |
0.027 |
Average: |
330.6 |
-1.1 |
0.644 |
11 |
0 |
0 |
0.027 |
3 |
7 |
|
A |
30 |
10 |
23511 |
◊ |
B |
x-1,y,z |
1_455 |
33 |
11 |
23256 |
285.1 |
-2.6 |
0.332 |
1 |
0 |
0 |
0.000 |
4 |
8 |
|
[6R9]C:704 |
26 |
1 |
528 |
f |
C |
x,y,z |
1_555 |
54 |
22 |
23470 |
259.7 |
-0.6 |
0.453 |
7 |
0 |
0 |
0.017 |
9 |
|
[6R9]B:704 |
26 |
1 |
530 |
f |
B |
x,y,z |
1_555 |
64 |
23 |
23256 |
258.3 |
1.0 |
0.625 |
10 |
0 |
0 |
0.017 |
10 |
|
[6R9]A:704 |
26 |
1 |
530 |
f |
A |
x,y,z |
1_555 |
63 |
23 |
23511 |
247.3 |
0.7 |
0.572 |
11 |
0 |
0 |
0.017 |
Average: |
255.1 |
0.4 |
0.550 |
9 |
0 |
0 |
0.017 |
5 |
11 |
|
C |
20 |
9 |
23470 |
◊ |
A |
x,y-1,z-1 |
1_544 |
23 |
8 |
23511 |
181.7 |
-2.2 |
0.298 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
21 |
8 |
23470 |
◊ |
B |
x-1,y,z-1 |
1_454 |
17 |
8 |
23256 |
162.4 |
-1.0 |
0.453 |
1 |
0 |
0 |
0.000 |
13 |
|
A |
17 |
9 |
23511 |
◊ |
B |
x-1,y+1,z |
1_465 |
18 |
9 |
23256 |
134.0 |
-1.5 |
0.347 |
1 |
0 |
0 |
0.000 |
Average: |
159.4 |
-1.6 |
0.366 |
1 |
0 |
0 |
0.000 |
6 |
14 |
|
C |
16 |
5 |
23470 |
◊ |
B |
x,y-1,z-1 |
1_544 |
22 |
7 |
23256 |
181.0 |
-0.6 |
0.472 |
2 |
0 |
0 |
0.000 |
15 |
|
A |
19 |
7 |
23511 |
◊ |
B |
x-1,y,z-1 |
1_454 |
14 |
5 |
23256 |
160.7 |
-0.3 |
0.440 |
0 |
0 |
0 |
0.000 |
16 |
|
A |
12 |
4 |
23511 |
◊ |
C |
x-1,y+1,z |
1_465 |
18 |
7 |
23470 |
144.7 |
-0.3 |
0.385 |
0 |
0 |
0 |
0.000 |
Average: |
162.1 |
-0.4 |
0.432 |
1 |
0 |
0 |
0.000 |
7 |
17 |
|
[6R9]C:704 |
26 |
1 |
528 |
f |
[ATP]C:703 |
x,y,z |
1_555 |
25 |
1 |
626 |
173.3 |
0.3 |
0.539 |
0 |
0 |
0 |
0.000 |
18 |
|
[6R9]B:704 |
26 |
1 |
530 |
f |
[ATP]B:703 |
x,y,z |
1_555 |
24 |
1 |
624 |
163.7 |
0.4 |
0.538 |
0 |
0 |
0 |
0.000 |
19 |
|
[6R9]A:704 |
25 |
1 |
530 |
f |
[ATP]A:703 |
x,y,z |
1_555 |
23 |
1 |
629 |
156.1 |
0.6 |
0.527 |
0 |
0 |
0 |
0.000 |
Average: |
164.4 |
0.4 |
0.535 |
0 |
0 |
0 |
0.000 |
8 |
20 |
|
[EDO]C:708 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
26 |
11 |
23470 |
125.0 |
3.7 |
0.485 |
3 |
0 |
0 |
0.000 |
9 |
21 |
|
[EDO]C:707 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
23470 |
115.9 |
3.7 |
0.530 |
2 |
0 |
0 |
0.000 |
10 |
22 |
|
[EDO]A:705 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
23511 |
108.1 |
3.6 |
0.464 |
1 |
0 |
0 |
0.000 |
11 |
23 |
|
[EDO]A:706 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
23511 |
95.2 |
2.9 |
0.517 |
2 |
0 |
0 |
0.000 |
12 |
24 |
|
[EDO]A:708 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
12 |
23511 |
88.3 |
2.6 |
0.474 |
4 |
0 |
0 |
0.000 |
13 |
25 |
|
[EDO]A:707 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
23511 |
87.7 |
2.9 |
0.481 |
2 |
0 |
0 |
0.000 |
14 |
26 |
|
[EDO]B:705 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
23256 |
87.3 |
2.1 |
0.280 |
3 |
0 |
0 |
0.000 |
15 |
27 |
|
[EDO]B:706 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
23256 |
71.7 |
1.4 |
0.731 |
2 |
0 |
0 |
0.000 |
16 |
28 |
|
[PO4]C:706 |
4 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
23470 |
70.1 |
-3.2 |
0.863 |
3 |
0 |
0 |
0.015 |
17 |
29 |
|
C |
10 |
3 |
23470 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
4 |
23511 |
68.9 |
-0.6 |
0.459 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
[EDO]B:707 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
23256 |
67.8 |
2.8 |
0.985 |
2 |
0 |
0 |
0.000 |
19 |
31 |
|
[EDO]A:707 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
23470 |
57.4 |
0.9 |
0.514 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
C |
6 |
3 |
23470 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
3 |
23256 |
55.4 |
0.3 |
0.743 |
2 |
0 |
0 |
0.000 |
21 |
33 |
|
[EDO]B:706 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
23511 |
50.5 |
1.3 |
0.240 |
1 |
0 |
0 |
0.000 |
22 |
34 |
|
[EDO]B:705 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
23511 |
49.6 |
1.3 |
0.202 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
A |
7 |
4 |
23511 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
23470 |
42.0 |
-0.5 |
0.418 |
0 |
0 |
0 |
0.000 |
24 |
36 |
|
[MG]C:705 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
23470 |
39.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.016 |
25 |
37 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
23470 |
34.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.012 |
38 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
23511 |
33.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.012 |
39 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
23256 |
33.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
34.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.012 |
26 |
40 |
|
[ATP]C:703 |
6 |
1 |
626 |
f |
[MG]C:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.032 |
41 |
|
[ATP]A:703 |
5 |
1 |
629 |
f |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.032 |
42 |
|
[ATP]C:703 |
7 |
1 |
626 |
f |
[MG]C:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.032 |
43 |
|
[ATP]A:703 |
9 |
1 |
629 |
f |
[MG]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.032 |
44 |
|
[ATP]B:703 |
7 |
1 |
624 |
f |
[MG]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
27.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.032 |
27 |
45 |
|
[ATP]B:703 |
4 |
1 |
624 |
f |
[MG]B:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.015 |
28 |
46 |
|
[MG]C:701 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
23470 |
28.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.014 |
47 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
23511 |
28.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.014 |
48 |
|
[MG]B:701 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
23256 |
25.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
27.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.014 |
29 |
49 |
|
[MG]C:705 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
23511 |
28.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
50 |
|
[EDO]A:708 |
2 |
1 |
185 |
f |
[ATP]A:703 |
x,y,z |
1_555 |
4 |
1 |
629 |
27.7 |
0.5 |
0.690 |
2 |
0 |
0 |
0.002 |
31 |
51 |
|
[EDO]A:708 |
2 |
1 |
185 |
f |
[6R9]A:704 |
x,y,z |
1_555 |
6 |
1 |
530 |
27.3 |
0.0 |
0.435 |
2 |
0 |
0 |
0.004 |
32 |
52 |
|
[6R9]B:704 |
5 |
1 |
530 |
f |
[MG]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.008 |
53 |
|
[6R9]C:704 |
5 |
1 |
528 |
f |
[MG]C:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.008 |
54 |
|
[6R9]A:704 |
3 |
1 |
530 |
f |
[MG]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
19.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.008 |
33 |
55 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[MG]C:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.009 |
34 |
56 |
|
[EDO]A:706 |
3 |
1 |
185 |
f |
[EDO]A:705 |
x,y,z |
1_555 |
1 |
1 |
186 |
14.7 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
57 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
[MG]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.010 |
36 |
58 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[MG]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.011 |
37 |
59 |
|
[6R9]A:704 |
4 |
1 |
530 |
f |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
60 |
|
[6R9]B:704 |
4 |
1 |
530 |
f |
[MG]B:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
61 |
|
[6R9]C:704 |
4 |
1 |
528 |
f |
[MG]C:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
12.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
|