| ## |
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 |
235 |
67 |
11600 |
◊ |
B |
x,y,z |
1_555 |
219 |
60 |
13205 |
2159.7 |
-26.0 |
0.105 |
21 |
0 |
0 |
0.427 |
| 2 |
2 |
|
B |
103 |
28 |
13205 |
◊ |
A |
-y+1,x-y,z |
3_655 |
101 |
31 |
11600 |
1038.8 |
-16.0 |
0.056 |
7 |
3 |
0 |
0.318 |
| 3 |
3 |
|
A |
69 |
17 |
11600 |
◊ |
A |
x,x-y,-z+1/2 |
12_555 |
69 |
17 |
11600 |
557.1 |
0.1 |
0.743 |
4 |
4 |
0 |
0.000 |
| 4 |
4 |
|
B |
58 |
16 |
13205 |
◊ |
B |
x-y,-y,-z |
7_555 |
58 |
16 |
13205 |
511.0 |
-3.3 |
0.636 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
67 |
18 |
13205 |
x |
B |
-y+1,x-y,z |
3_655 |
48 |
18 |
13205 |
507.0 |
-9.3 |
0.070 |
0 |
0 |
0 |
0.340 |
| 6 |
6 |
|
A |
45 |
13 |
11600 |
x |
A |
-y+1,x-y,z |
3_655 |
48 |
15 |
11600 |
455.0 |
-6.7 |
0.132 |
5 |
0 |
0 |
0.271 |
| 7 |
7 |
|
[ATP]A:301 |
31 |
1 |
635 |
f |
A |
x,y,z |
1_555 |
66 |
27 |
11600 |
411.2 |
-1.6 |
0.620 |
12 |
0 |
0 |
0.212 |
| 8 |
8 |
|
[ATP]B:301 |
29 |
1 |
637 |
f |
B |
x,y,z |
1_555 |
63 |
26 |
13205 |
409.6 |
-0.6 |
0.705 |
16 |
0 |
0 |
0.280 |
| 9 |
9 |
|
[8M0]A:303 |
27 |
1 |
574 |
f |
A |
x,y,z |
1_555 |
37 |
14 |
11600 |
312.6 |
-5.4 |
0.808 |
2 |
0 |
0 |
0.191 |
| 10 |
10 |
|
[8M0]B:302 |
28 |
1 |
589 |
f |
B |
x,y,z |
1_555 |
35 |
16 |
13205 |
270.1 |
-10.0 |
0.529 |
1 |
0 |
0 |
0.380 |
| 11 |
11 |
|
[8M0]B:302 |
17 |
1 |
589 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
11600 |
147.7 |
-2.3 |
0.686 |
1 |
0 |
0 |
0.033 |
| 12 |
12 |
|
A |
11 |
5 |
11600 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
11 |
5 |
11600 |
83.6 |
2.2 |
0.889 |
2 |
2 |
0 |
0.000 |
| 13 |
13 |
|
[MO]B:306 |
1 |
1 |
163 |
fx |
[MO]B:306 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
57.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.056 |
| 14 |
14 |
|
[MO]A:305 |
1 |
1 |
163 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11600 |
54.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.089 |
15 |
|
[MO]A:306 |
1 |
1 |
163 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11600 |
32.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
43.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.089 |
| 15 |
16 |
|
A |
11 |
4 |
11600 |
◊ |
[MOO]A:304 |
-y+1,x-y,z |
3_655 |
4 |
1 |
216 |
54.1 |
-0.9 |
0.694 |
0 |
0 |
0 |
0.014 |
| 16 |
17 |
|
[MO]B:305 |
1 |
1 |
163 |
fx |
[MO]B:305 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
53.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.052 |
| 17 |
18 |
|
[ATP]A:301 |
9 |
1 |
635 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
13205 |
50.6 |
-0.7 |
0.453 |
0 |
0 |
0 |
0.009 |
| 18 |
19 |
|
[MOO]A:304 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11600 |
45.7 |
-0.2 |
0.808 |
0 |
0 |
0 |
0.003 |
| 19 |
20 |
|
[MO]B:303 |
1 |
1 |
163 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
13205 |
44.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.059 |
21 |
|
[MO]B:304 |
1 |
1 |
163 |
◊ |
B |
-y+1,x-y,z |
3_655 |
10 |
5 |
13205 |
42.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
43.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.059 |
| 20 |
22 |
|
[MOO]A:304 |
4 |
1 |
216 |
fx |
[MOO]A:304 |
-y+1,x-y,z |
3_655 |
3 |
1 |
216 |
44.5 |
-1.8 |
0.629 |
0 |
0 |
0 |
0.029 |
| 21 |
23 |
|
[MO]A:307 |
1 |
1 |
163 |
fx |
[MO]A:306 |
x,y,z |
1_555 |
1 |
1 |
163 |
38.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.060 |
| 22 |
24 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
11600 |
36.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.161 |
| 23 |
25 |
|
[MO]A:306 |
1 |
1 |
163 |
fx |
[MO]A:305 |
x,y,z |
1_555 |
1 |
1 |
163 |
36.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.115 |
| 24 |
26 |
|
[MO]A:307 |
1 |
1 |
163 |
fx |
[MO]A:305 |
x,y,z |
1_555 |
1 |
1 |
163 |
35.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.057 |
| 25 |
27 |
|
A |
7 |
3 |
11600 |
x |
[MO]A:306 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
35.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.037 |
28 |
|
[MO]A:307 |
1 |
1 |
163 |
x |
A |
x,y,z |
1_555 |
3 |
3 |
11600 |
10.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
22.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.037 |
| 26 |
29 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[ATP]A:301 |
x,y,z |
1_555 |
4 |
1 |
635 |
34.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.166 |
| 27 |
30 |
|
[8M0]B:302 |
4 |
1 |
589 |
◊ |
[8M0]A:303 |
x,y,z |
1_555 |
3 |
1 |
574 |
31.2 |
-1.8 |
0.489 |
0 |
0 |
0 |
0.022 |
| 28 |
31 |
|
[MO]B:306 |
1 |
1 |
163 |
fx |
[MO]B:305 |
x,y,z |
1_555 |
1 |
1 |
163 |
30.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.090 |
| 29 |
32 |
|
[MO]B:306 |
1 |
1 |
163 |
fx |
[MO]B:303 |
x,y,z |
1_555 |
1 |
1 |
163 |
30.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.088 |
| 30 |
33 |
|
[MO]B:304 |
1 |
1 |
163 |
fx |
[MO]B:303 |
x,y,z |
1_555 |
1 |
1 |
163 |
27.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.053 |
| 31 |
34 |
|
[MO]B:305 |
1 |
1 |
163 |
x |
B |
x,y,z |
1_555 |
3 |
2 |
13205 |
25.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.065 |
35 |
|
[MO]B:303 |
1 |
1 |
163 |
x |
B |
-y+1,x-y,z |
3_655 |
3 |
1 |
13205 |
16.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
20.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.065 |
| 32 |
36 |
|
[MO]B:305 |
1 |
1 |
163 |
fx |
[MO]B:303 |
x,y,z |
1_555 |
1 |
1 |
163 |
24.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.072 |
| 33 |
37 |
|
[MO]B:305 |
1 |
1 |
163 |
fx |
[MO]B:304 |
x,y,z |
1_555 |
1 |
1 |
163 |
24.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.070 |
| 34 |
38 |
|
[MO]B:306 |
1 |
1 |
163 |
fx |
[MO]B:304 |
x,y,z |
1_555 |
1 |
1 |
163 |
24.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.070 |
| 35 |
39 |
|
[MO]B:304 |
1 |
1 |
163 |
x |
B |
x,y,z |
1_555 |
5 |
4 |
13205 |
23.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.040 |
40 |
|
[MO]B:306 |
1 |
1 |
163 |
x |
B |
x,y,z |
1_555 |
3 |
3 |
13205 |
12.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
18.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.040 |
| 36 |
41 |
|
[MOO]A:304 |
3 |
1 |
216 |
◊ |
A |
-y+1,x-y,z |
3_655 |
5 |
2 |
11600 |
18.7 |
-0.1 |
0.694 |
0 |
0 |
0 |
0.002 |
| 37 |
42 |
|
[MOO]A:304 |
3 |
1 |
216 |
fx |
[MO]A:307 |
x,y,z |
1_555 |
1 |
1 |
163 |
17.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.018 |
| 38 |
43 |
|
[MO]A:306 |
1 |
1 |
163 |
fx |
[MO]A:306 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
12.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.020 |
| 39 |
44 |
|
[MO]A:305 |
1 |
1 |
163 |
fx |
[MO]A:305 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
10.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.017 |
| 40 |
45 |
|
[MO]B:303 |
1 |
1 |
163 |
fx |
[MO]B:303 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
10.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 41 |
46 |
|
[MO]A:305 |
1 |
1 |
163 |
◊ |
[8M0]A:303 |
x,y,z |
1_555 |
1 |
1 |
574 |
10.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 42 |
47 |
|
B |
1 |
1 |
13205 |
◊ |
[8M0]A:303 |
-y+1,x-y,z |
3_655 |
2 |
1 |
574 |
9.1 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[MOO]A:304 |
2 |
1 |
216 |
f |
[MO]A:306 |
x,y,z |
1_555 |
1 |
1 |
163 |
7.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 44 |
49 |
|
[MO]B:304 |
1 |
1 |
163 |
fx |
[MO]B:304 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
6.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 45 |
50 |
|
[MOO]A:304 |
1 |
1 |
216 |
f |
[MO]A:305 |
x,y,z |
1_555 |
1 |
1 |
163 |
3.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| 46 |
51 |
|
[MO]A:306 |
1 |
1 |
163 |
f |
[MO]A:305 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
2.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 47 |
52 |
|
B |
1 |
1 |
13205 |
◊ |
[MO]B:304 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 48 |
53 |
|
[MOO]A:304 |
1 |
1 |
216 |
f |
[MO]A:306 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
1.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| 49 |
54 |
|
[MO]B:303 |
1 |
1 |
163 |
f |
[MO]B:304 |
-y+1,x-y,z |
3_655 |
1 |
1 |
163 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 50 |
55 |
|
A |
1 |
1 |
11600 |
◊ |
[8M0]A:303 |
-y+1,x-y,z |
3_655 |
1 |
1 |
574 |
1.0 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
|