## |
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 |
234 |
65 |
11745 |
◊ |
B |
x,y,z |
1_555 |
221 |
60 |
13599 |
2185.5 |
-25.8 |
0.093 |
26 |
0 |
0 |
0.414 |
2 |
2 |
|
B |
105 |
28 |
13599 |
◊ |
A |
-y+1,x-y,z |
3_655 |
98 |
28 |
11745 |
1038.8 |
-16.9 |
0.041 |
7 |
2 |
0 |
0.297 |
3 |
3 |
|
A |
70 |
17 |
11745 |
◊ |
A |
x,x-y,-z+1/2 |
9_555 |
70 |
17 |
11745 |
561.8 |
1.4 |
0.797 |
4 |
2 |
0 |
0.000 |
4 |
4 |
|
B |
64 |
17 |
13599 |
x |
B |
-y+1,x-y,z |
3_655 |
44 |
16 |
13599 |
538.0 |
-8.4 |
0.080 |
1 |
0 |
0 |
0.132 |
5 |
5 |
|
B |
57 |
15 |
13599 |
◊ |
B |
x-y,-y,-z |
8_555 |
57 |
15 |
13599 |
508.8 |
-4.9 |
0.475 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
47 |
14 |
11745 |
x |
A |
-y+1,x-y,z |
3_655 |
52 |
16 |
11745 |
436.6 |
-5.4 |
0.189 |
6 |
1 |
0 |
0.115 |
7 |
7 |
|
[ATP]A:301 |
31 |
1 |
636 |
f |
A |
x,y,z |
1_555 |
65 |
27 |
11745 |
415.4 |
-1.9 |
0.601 |
12 |
0 |
0 |
0.106 |
8 |
8 |
|
[ATP]B:301 |
28 |
1 |
644 |
f |
B |
x,y,z |
1_555 |
62 |
26 |
13599 |
412.8 |
-0.4 |
0.702 |
15 |
0 |
0 |
0.105 |
9 |
9 |
|
[8M0]A:303 |
26 |
1 |
581 |
f |
A |
x,y,z |
1_555 |
38 |
14 |
11745 |
320.7 |
-6.4 |
0.754 |
2 |
0 |
0 |
0.106 |
10 |
10 |
|
[8M0]B:302 |
29 |
1 |
601 |
f |
B |
x,y,z |
1_555 |
44 |
18 |
13599 |
313.8 |
-12.6 |
0.336 |
0 |
0 |
0 |
0.188 |
11 |
11 |
|
[8M0]B:302 |
15 |
1 |
601 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
11745 |
149.2 |
-1.7 |
0.705 |
1 |
0 |
0 |
0.024 |
12 |
12 |
|
A |
9 |
4 |
11745 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
7_665 |
9 |
4 |
11745 |
77.0 |
2.0 |
0.882 |
0 |
2 |
0 |
0.000 |
13 |
13 |
|
[MO]B:305 |
1 |
1 |
163 |
fx |
[MO]B:305 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
61.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.092 |
14 |
14 |
|
A |
11 |
4 |
11745 |
◊ |
[M10]A:304 |
-y+1,x-y,z |
3_655 |
5 |
1 |
286 |
59.3 |
-1.6 |
0.798 |
0 |
0 |
0 |
0.022 |
15 |
15 |
|
[M10]A:304 |
5 |
1 |
286 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
11745 |
58.1 |
-2.7 |
0.547 |
0 |
0 |
0 |
0.037 |
16 |
16 |
|
[M10]A:304 |
5 |
1 |
286 |
cfx |
[M10]A:304 |
-y+1,x-y,z |
3_655 |
6 |
1 |
286 |
52.6 |
-5.0 |
0.837 |
0 |
0 |
0 |
0.070 |
17 |
17 |
|
[MO]A:305 |
1 |
1 |
163 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11745 |
52.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.076 |
18 |
|
[MO]A:306 |
1 |
1 |
163 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11745 |
31.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
42.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.076 |
18 |
19 |
|
[MO]B:303 |
1 |
1 |
163 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13599 |
51.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.056 |
19 |
20 |
|
[ATP]A:301 |
9 |
1 |
636 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13599 |
50.0 |
-0.7 |
0.454 |
0 |
0 |
0 |
0.008 |
20 |
21 |
|
[MO]B:304 |
1 |
1 |
163 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
13599 |
46.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.084 |
22 |
|
[MO]B:303 |
1 |
1 |
163 |
x |
B |
-y+1,x-y,z |
3_655 |
7 |
3 |
13599 |
34.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
40.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.084 |
21 |
23 |
|
[MO]B:305 |
1 |
1 |
163 |
fx |
[MO]B:304 |
x,y,z |
1_555 |
1 |
1 |
163 |
41.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.061 |
22 |
24 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11745 |
38.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.078 |
23 |
25 |
|
[MO]A:307 |
1 |
1 |
163 |
fx |
[MO]A:306 |
x,y,z |
1_555 |
1 |
1 |
163 |
37.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.053 |
24 |
26 |
|
[M10]A:304 |
3 |
1 |
286 |
◊ |
A |
-y+1,x-y,z |
3_655 |
8 |
3 |
11745 |
37.3 |
-2.1 |
0.650 |
0 |
0 |
0 |
0.030 |
25 |
27 |
|
[MO]A:307 |
1 |
1 |
163 |
fx |
[MO]A:305 |
x,y,z |
1_555 |
1 |
1 |
163 |
37.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.052 |
26 |
28 |
|
[MO]A:306 |
1 |
1 |
163 |
fx |
[MO]A:305 |
x,y,z |
1_555 |
1 |
1 |
163 |
36.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.102 |
27 |
29 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[ATP]A:301 |
x,y,z |
1_555 |
5 |
1 |
636 |
35.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.072 |
28 |
30 |
|
A |
8 |
3 |
11745 |
x |
[MO]A:306 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
34.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.032 |
31 |
|
[MO]A:307 |
1 |
1 |
163 |
x |
A |
x,y,z |
1_555 |
2 |
2 |
11745 |
8.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
21.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.032 |
29 |
32 |
|
[MO]B:304 |
1 |
1 |
163 |
x |
[MO]B:303 |
x,y,z |
1_555 |
1 |
1 |
163 |
31.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.047 |
30 |
33 |
|
[MO]B:305 |
1 |
1 |
163 |
x |
B |
x,y,z |
1_555 |
6 |
4 |
13599 |
31.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.096 |
31 |
34 |
|
[8M0]B:302 |
4 |
1 |
601 |
◊ |
[8M0]A:303 |
x,y,z |
1_555 |
3 |
1 |
581 |
30.2 |
-1.8 |
0.512 |
0 |
0 |
0 |
0.019 |
32 |
35 |
|
[MO]B:305 |
1 |
1 |
163 |
x |
[MO]B:303 |
x,y,z |
1_555 |
1 |
1 |
163 |
26.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.120 |
33 |
36 |
|
[M10]A:304 |
3 |
1 |
286 |
fx |
[MO]A:307 |
x,y,z |
1_555 |
1 |
1 |
163 |
12.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.021 |
37 |
|
[M10]A:304 |
1 |
1 |
286 |
fx |
[MO]A:306 |
x,y,z |
1_555 |
1 |
1 |
163 |
6.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
9.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.021 |
34 |
38 |
|
[MO]A:306 |
1 |
1 |
163 |
fx |
[MO]A:306 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
11.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.016 |
35 |
39 |
|
[MO]A:305 |
1 |
1 |
163 |
fx |
[MO]A:305 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
11.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
36 |
40 |
|
[MO]A:305 |
1 |
1 |
163 |
◊ |
[8M0]A:303 |
x,y,z |
1_555 |
1 |
1 |
581 |
11.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
41 |
|
[MO]A:306 |
1 |
1 |
163 |
◊ |
[8M0]A:303 |
x,y,z |
1_555 |
1 |
1 |
581 |
0.9 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
5.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
37 |
42 |
|
[MO]B:303 |
1 |
1 |
163 |
x |
[MO]B:303 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
9.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.014 |
38 |
43 |
|
B |
1 |
1 |
13599 |
◊ |
[8M0]A:303 |
-y+1,x-y,z |
3_655 |
1 |
1 |
581 |
6.8 |
-0.0 |
0.396 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
B |
1 |
1 |
13599 |
◊ |
[MO]B:303 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
4.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
40 |
45 |
|
[M10]A:304 |
1 |
1 |
286 |
f |
[MO]A:305 |
x,y,z |
1_555 |
1 |
1 |
163 |
3.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
46 |
|
[M10]A:304 |
1 |
1 |
286 |
f |
[MO]A:306 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
2.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
41 |
47 |
|
[MO]A:306 |
1 |
1 |
163 |
f |
[MO]A:305 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
42 |
48 |
|
A |
1 |
1 |
11745 |
◊ |
[8M0]A:303 |
-y+1,x-y,z |
3_655 |
1 |
1 |
581 |
0.4 |
0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
|