## |
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 |
73 |
19 |
12515 |
x |
A |
x,y,z |
1_555 |
82 |
26 |
12635 |
755.4 |
-8.4 |
0.175 |
5 |
1 |
0 |
0.266 |
2 |
|
B |
76 |
25 |
12515 |
x |
A |
-y+1,-x+1,-z+1 |
8_666 |
65 |
17 |
12635 |
737.6 |
-6.0 |
0.284 |
7 |
3 |
0 |
0.266 |
3 |
|
C |
62 |
17 |
12643 |
x |
C |
-y+1/2,x-1/2,z |
3_545 |
70 |
23 |
12643 |
697.9 |
-7.8 |
0.159 |
3 |
3 |
0 |
0.266 |
4 |
|
D |
66 |
20 |
12845 |
x |
D |
-y+1/2,x-1/2,z |
3_545 |
47 |
12 |
12845 |
597.8 |
-6.1 |
0.193 |
3 |
2 |
0 |
0.266 |
Average: |
697.2 |
-7.1 |
0.203 |
5 |
2 |
0 |
0.266 |
2 |
5 |
|
B |
77 |
25 |
12515 |
◊ |
A |
y+1,x-1,-z+1 |
7_646 |
81 |
26 |
12635 |
713.6 |
-9.3 |
0.133 |
4 |
0 |
0 |
0.165 |
6 |
|
D |
75 |
24 |
12845 |
◊ |
C |
x,y,z |
1_555 |
76 |
24 |
12643 |
694.8 |
-9.4 |
0.115 |
4 |
0 |
0 |
0.165 |
Average: |
704.2 |
-9.4 |
0.124 |
4 |
0 |
0 |
0.165 |
3 |
7 |
|
A |
57 |
16 |
12635 |
◊ |
D |
x,y,z-1 |
1_554 |
61 |
18 |
12845 |
589.7 |
-2.2 |
0.519 |
5 |
2 |
0 |
0.000 |
4 |
8 |
|
[ATP]B:1 |
29 |
1 |
629 |
f |
B |
x,y,z |
1_555 |
46 |
20 |
12515 |
362.1 |
-3.0 |
0.494 |
13 |
0 |
0 |
0.251 |
9 |
|
[ATP]A:1 |
31 |
1 |
621 |
f |
A |
x,y,z |
1_555 |
45 |
18 |
12635 |
353.2 |
-2.8 |
0.464 |
12 |
0 |
0 |
0.251 |
10 |
|
[ATP]C:1 |
28 |
1 |
626 |
f |
C |
x,y,z |
1_555 |
42 |
18 |
12643 |
331.9 |
-2.6 |
0.519 |
13 |
0 |
0 |
0.251 |
Average: |
349.0 |
-2.8 |
0.492 |
13 |
0 |
0 |
0.251 |
5 |
11 |
|
[ATP]D:1 |
28 |
1 |
622 |
f |
D |
x,y,z |
1_555 |
43 |
16 |
12845 |
314.0 |
-4.5 |
0.391 |
15 |
0 |
0 |
0.129 |
6 |
12 |
|
C |
34 |
10 |
12643 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
12515 |
283.8 |
-0.3 |
0.644 |
4 |
2 |
0 |
0.000 |
7 |
13 |
|
[ACT]C:4 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
12643 |
102.9 |
0.0 |
0.722 |
5 |
0 |
0 |
0.060 |
14 |
|
[ACT]B:4 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
12515 |
102.4 |
0.1 |
0.732 |
5 |
0 |
0 |
0.060 |
Average: |
102.7 |
0.0 |
0.727 |
5 |
0 |
0 |
0.060 |
8 |
15 |
|
[ACT]D:4 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
12845 |
101.2 |
0.1 |
0.724 |
5 |
0 |
0 |
0.024 |
9 |
16 |
|
[ACT]A:4 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
12635 |
99.7 |
0.2 |
0.720 |
5 |
0 |
0 |
0.030 |
10 |
17 |
|
B |
10 |
3 |
12515 |
◊ |
B |
y+1,x-1,-z+1 |
7_646 |
10 |
3 |
12515 |
95.2 |
2.5 |
0.937 |
0 |
6 |
0 |
0.000 |
18 |
|
A |
3 |
1 |
12635 |
◊ |
A |
-x+2,-y,z |
2_755 |
3 |
1 |
12635 |
26.0 |
0.9 |
0.887 |
0 |
0 |
0 |
0.000 |
19 |
|
C |
2 |
2 |
12643 |
◊ |
D |
-y+1/2,x-1/2,z |
3_545 |
2 |
2 |
12845 |
8.7 |
0.3 |
0.751 |
0 |
0 |
0 |
0.000 |
Average: |
43.3 |
1.2 |
0.858 |
0 |
2 |
0 |
0.000 |
11 |
20 |
|
[ACT]D:5 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
12643 |
83.8 |
-0.0 |
0.737 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
[ACT]A:5 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
12635 |
80.7 |
0.6 |
0.778 |
2 |
0 |
0 |
0.004 |
13 |
22 |
|
[ACT]A:5 |
4 |
1 |
183 |
f |
B |
y+1,x-1,-z+1 |
7_646 |
14 |
6 |
12515 |
75.9 |
-0.2 |
0.670 |
1 |
0 |
0 |
0.010 |
14 |
23 |
|
[ACT]D:5 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
12845 |
75.5 |
0.5 |
0.808 |
1 |
0 |
0 |
0.000 |
15 |
24 |
|
[ATP]B:1 |
6 |
1 |
629 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
12635 |
70.0 |
-1.0 |
0.379 |
0 |
0 |
0 |
0.032 |
25 |
|
[ATP]C:1 |
4 |
1 |
626 |
◊ |
C |
-y+1/2,x-1/2,z |
3_545 |
10 |
3 |
12643 |
43.2 |
-1.2 |
0.403 |
0 |
0 |
0 |
0.032 |
26 |
|
[ATP]A:1 |
4 |
1 |
621 |
◊ |
B |
-y+1,-x+1,-z+1 |
8_666 |
5 |
3 |
12515 |
23.2 |
-1.2 |
0.372 |
0 |
0 |
0 |
0.032 |
Average: |
45.5 |
-1.1 |
0.385 |
0 |
0 |
0 |
0.032 |
16 |
27 |
|
D |
7 |
2 |
12845 |
◊ |
[ATP]D:1 |
-y+1/2,x-1/2,z |
3_545 |
8 |
1 |
622 |
51.9 |
-0.1 |
0.319 |
0 |
0 |
0 |
0.002 |
17 |
28 |
|
[ACT]C:5 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
12643 |
48.7 |
-0.1 |
0.726 |
0 |
0 |
0 |
0.003 |
18 |
29 |
|
[MG]A:3 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12635 |
47.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.180 |
30 |
|
[MG]C:3 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
12643 |
45.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.180 |
31 |
|
[MG]D:3 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
12845 |
45.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.180 |
32 |
|
[MG]B:3 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12515 |
44.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.180 |
Average: |
45.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.180 |
19 |
33 |
|
[MG]D:2 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
12845 |
45.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.179 |
34 |
|
[MG]C:2 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
12643 |
43.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.179 |
35 |
|
[MG]B:2 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12515 |
43.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.179 |
36 |
|
[MG]A:2 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
12635 |
43.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.179 |
Average: |
43.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.179 |
20 |
37 |
|
C |
6 |
3 |
12643 |
◊ |
[ACT]C:5 |
-y+1/2,x-1/2,z |
3_545 |
3 |
1 |
182 |
41.1 |
0.4 |
0.740 |
1 |
0 |
0 |
0.000 |
21 |
38 |
|
[MG]D:2 |
1 |
1 |
98 |
f |
[ATP]D:1 |
x,y,z |
1_555 |
4 |
1 |
622 |
35.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.120 |
39 |
|
[MG]C:2 |
1 |
1 |
98 |
f |
[ATP]C:1 |
x,y,z |
1_555 |
4 |
1 |
626 |
32.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.120 |
40 |
|
[MG]B:2 |
1 |
1 |
98 |
f |
[ATP]B:1 |
x,y,z |
1_555 |
4 |
1 |
629 |
32.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.120 |
41 |
|
[MG]A:2 |
1 |
1 |
98 |
f |
[ATP]A:1 |
x,y,z |
1_555 |
5 |
1 |
621 |
32.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
33.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.120 |
22 |
42 |
|
[ACT]B:4 |
2 |
1 |
183 |
◊ |
A |
y+1,x-1,-z+1 |
7_646 |
3 |
1 |
12635 |
33.3 |
-1.1 |
0.288 |
0 |
0 |
0 |
0.016 |
43 |
|
[ACT]C:4 |
1 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12845 |
33.0 |
-1.1 |
0.195 |
0 |
0 |
0 |
0.016 |
Average: |
33.2 |
-1.1 |
0.242 |
0 |
0 |
0 |
0.016 |
23 |
44 |
|
[ACT]A:4 |
3 |
1 |
184 |
◊ |
B |
y+1,x-1,-z+1 |
7_646 |
3 |
1 |
12515 |
31.1 |
-1.0 |
0.355 |
0 |
0 |
0 |
0.014 |
24 |
45 |
|
[ACT]D:4 |
1 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12643 |
29.6 |
-0.9 |
0.309 |
0 |
0 |
0 |
0.011 |
25 |
46 |
|
A |
3 |
2 |
12635 |
◊ |
D |
-y+1/2,x-1/2,z-1 |
3_544 |
3 |
2 |
12845 |
26.6 |
1.1 |
0.893 |
0 |
0 |
0 |
0.000 |
26 |
47 |
|
[ATP]C:1 |
2 |
1 |
626 |
◊ |
[ACT]C:5 |
-y+1/2,x-1/2,z |
3_545 |
3 |
1 |
182 |
15.8 |
0.4 |
0.670 |
0 |
0 |
0 |
0.000 |
27 |
48 |
|
[MG]B:3 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
12643 |
14.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
49 |
|
[MG]C:3 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12515 |
4.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|