| ## |
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 |
691 |
175 |
30616 |
◊ |
A |
x,y,z |
1_555 |
718 |
186 |
31083 |
7062.6 |
-86.6 |
0.118 |
50 |
24 |
0 |
0.732 |
2 |
|
D |
704 |
172 |
31043 |
◊ |
C |
x,y,z |
1_555 |
704 |
185 |
30928 |
7016.5 |
-91.2 |
0.071 |
54 |
20 |
0 |
0.732 |
| Average: |
7039.6 |
-88.9 |
0.094 |
52 |
22 |
0 |
0.732 |
| 2 |
3 |
|
F |
66 |
18 |
7839 |
◊ |
D |
x,y,z |
1_555 |
52 |
13 |
31043 |
575.5 |
-8.1 |
0.188 |
5 |
1 |
0 |
0.059 |
4 |
|
E |
63 |
18 |
7649 |
◊ |
B |
x,y,z |
1_555 |
51 |
12 |
30616 |
506.9 |
-5.8 |
0.320 |
6 |
1 |
0 |
0.059 |
| Average: |
541.2 |
-6.9 |
0.254 |
6 |
1 |
0 |
0.059 |
| 3 |
5 |
|
D |
49 |
14 |
31043 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
66 |
19 |
30928 |
534.5 |
1.3 |
0.865 |
9 |
10 |
0 |
0.000 |
| 4 |
6 |
|
A |
54 |
12 |
31083 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
46 |
16 |
31083 |
466.2 |
-0.4 |
0.744 |
8 |
1 |
0 |
0.000 |
| 5 |
7 |
|
B |
51 |
15 |
30616 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
47 |
15 |
31043 |
448.7 |
1.8 |
0.890 |
4 |
3 |
0 |
0.000 |
| 6 |
8 |
|
A |
36 |
9 |
31083 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
47 |
16 |
7839 |
393.8 |
2.6 |
0.858 |
5 |
1 |
0 |
0.000 |
9 |
|
E |
45 |
16 |
7649 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
33 |
9 |
30928 |
374.0 |
2.3 |
0.876 |
5 |
1 |
0 |
0.000 |
| Average: |
383.9 |
2.4 |
0.867 |
5 |
1 |
0 |
0.000 |
| 7 |
10 |
|
F |
53 |
15 |
7839 |
◊ |
C |
x,y,z |
1_555 |
38 |
10 |
30928 |
376.5 |
-1.8 |
0.613 |
6 |
1 |
0 |
0.030 |
11 |
|
E |
54 |
15 |
7649 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
31083 |
349.9 |
-2.6 |
0.547 |
5 |
1 |
0 |
0.030 |
| Average: |
363.2 |
-2.2 |
0.580 |
6 |
1 |
0 |
0.030 |
| 8 |
12 |
|
[ATP]C:600 |
28 |
1 |
632 |
f |
C |
x,y,z |
1_555 |
41 |
14 |
30928 |
317.0 |
-2.7 |
0.580 |
14 |
0 |
0 |
0.061 |
13 |
|
[ATP]A:600 |
28 |
1 |
622 |
f |
A |
x,y,z |
1_555 |
39 |
13 |
31083 |
305.4 |
-3.3 |
0.546 |
14 |
0 |
0 |
0.061 |
| Average: |
311.2 |
-3.0 |
0.563 |
14 |
0 |
0 |
0.061 |
| 9 |
14 |
|
[ATP]B:600 |
29 |
1 |
630 |
f |
B |
x,y,z |
1_555 |
42 |
16 |
30616 |
310.2 |
-2.9 |
0.579 |
15 |
0 |
0 |
0.062 |
15 |
|
[ATP]D:600 |
29 |
1 |
624 |
f |
D |
x,y,z |
1_555 |
40 |
15 |
31043 |
305.3 |
-2.8 |
0.564 |
15 |
0 |
0 |
0.062 |
| Average: |
307.7 |
-2.9 |
0.572 |
15 |
0 |
0 |
0.062 |
| 10 |
16 |
|
[ATP]D:600 |
23 |
1 |
624 |
◊ |
C |
x,y,z |
1_555 |
28 |
10 |
30928 |
205.0 |
-0.0 |
0.663 |
5 |
0 |
0 |
0.014 |
17 |
|
[ATP]B:600 |
22 |
1 |
630 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
31083 |
202.8 |
-0.1 |
0.677 |
4 |
0 |
0 |
0.014 |
| Average: |
203.9 |
-0.1 |
0.670 |
5 |
0 |
0 |
0.014 |
| 11 |
18 |
|
A |
28 |
12 |
31083 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
7 |
30928 |
201.8 |
2.8 |
0.928 |
2 |
3 |
0 |
0.000 |
| 12 |
19 |
|
[ATP]C:600 |
21 |
1 |
632 |
◊ |
D |
x,y,z |
1_555 |
27 |
11 |
31043 |
196.3 |
-0.3 |
0.650 |
4 |
0 |
0 |
0.013 |
20 |
|
[ATP]A:600 |
21 |
1 |
622 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
30616 |
192.1 |
-0.3 |
0.664 |
3 |
0 |
0 |
0.013 |
| Average: |
194.2 |
-0.3 |
0.657 |
4 |
0 |
0 |
0.013 |
| 13 |
21 |
|
F |
15 |
5 |
7839 |
x |
F |
-x,y-1/2,-z |
2_545 |
25 |
10 |
7839 |
144.4 |
0.9 |
0.749 |
1 |
0 |
0 |
0.000 |
| 14 |
22 |
|
B |
14 |
5 |
30616 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
7 |
31083 |
136.2 |
1.5 |
0.847 |
2 |
2 |
0 |
0.000 |
| 15 |
23 |
|
B |
15 |
4 |
30616 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
15 |
4 |
7839 |
124.3 |
-0.3 |
0.650 |
2 |
0 |
0 |
0.000 |
24 |
|
E |
15 |
4 |
7649 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
15 |
4 |
31043 |
122.9 |
-0.3 |
0.659 |
2 |
0 |
0 |
0.000 |
| Average: |
123.6 |
-0.3 |
0.655 |
2 |
0 |
0 |
0.000 |
| 16 |
25 |
|
B |
4 |
2 |
30616 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
30928 |
35.7 |
0.4 |
0.697 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
31043 |
34.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.033 |
27 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
30616 |
34.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
34.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.033 |
| 18 |
28 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
30928 |
34.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.030 |
29 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
31083 |
34.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
34.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.030 |
| 19 |
30 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
[ATP]C:600 |
x,y,z |
1_555 |
4 |
1 |
632 |
32.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.050 |
31 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[ATP]A:600 |
x,y,z |
1_555 |
4 |
1 |
622 |
31.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.050 |
32 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
[ATP]B:600 |
x,y,z |
1_555 |
5 |
1 |
630 |
29.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.050 |
33 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
[ATP]D:600 |
x,y,z |
1_555 |
5 |
1 |
624 |
28.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
30.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.050 |
| 20 |
34 |
|
D |
3 |
1 |
31043 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
1 |
30928 |
19.4 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[MG]C:601 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
31043 |
17.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
36 |
|
[MG]A:601 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
30616 |
15.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
16.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.012 |
| 22 |
37 |
|
[MG]B:601 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
31083 |
13.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.009 |
38 |
|
[MG]D:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
30928 |
12.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
12.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.009 |
| 23 |
39 |
|
A |
1 |
1 |
31083 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
3 |
1 |
31043 |
10.1 |
0.6 |
0.864 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
2 |
1 |
30616 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
30928 |
4.6 |
0.2 |
0.825 |
0 |
0 |
0 |
0.000 |
| Average: |
7.4 |
0.4 |
0.845 |
0 |
0 |
0 |
0.000 |
| 24 |
41 |
|
B |
1 |
1 |
30616 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
31043 |
0.3 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
|