## |
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 |
|
G |
163 |
47 |
12958 |
◊ |
A |
x,y,z |
1_555 |
135 |
37 |
12990 |
1423.7 |
-5.0 |
0.487 |
17 |
15 |
0 |
0.443 |
2 |
|
F |
140 |
37 |
13025 |
◊ |
E |
x,y,z |
1_555 |
157 |
50 |
12951 |
1420.4 |
-5.3 |
0.476 |
16 |
15 |
0 |
0.443 |
3 |
|
D |
136 |
37 |
12887 |
◊ |
C |
x,y,z |
1_555 |
152 |
46 |
12931 |
1374.4 |
-5.6 |
0.452 |
16 |
15 |
0 |
0.443 |
4 |
|
C |
128 |
37 |
12931 |
◊ |
B |
x,y,z |
1_555 |
153 |
45 |
12903 |
1368.1 |
-5.6 |
0.441 |
17 |
15 |
0 |
0.443 |
5 |
|
B |
134 |
37 |
12903 |
◊ |
A |
x,y,z |
1_555 |
157 |
47 |
12990 |
1359.3 |
-6.1 |
0.430 |
16 |
15 |
0 |
0.443 |
6 |
|
G |
129 |
36 |
12958 |
◊ |
F |
x,y,z |
1_555 |
155 |
46 |
13025 |
1340.9 |
-3.8 |
0.533 |
16 |
15 |
0 |
0.443 |
7 |
|
E |
128 |
36 |
12951 |
◊ |
D |
x,y,z |
1_555 |
149 |
44 |
12887 |
1326.4 |
-4.1 |
0.522 |
16 |
15 |
0 |
0.443 |
Average: |
1373.3 |
-5.1 |
0.477 |
16 |
15 |
0 |
0.443 |
2 |
8 |
|
[ATP]F:400 |
31 |
1 |
623 |
f |
F |
x,y,z |
1_555 |
57 |
20 |
13025 |
410.0 |
-2.0 |
0.547 |
17 |
0 |
0 |
0.277 |
9 |
|
[ATP]C:400 |
31 |
1 |
627 |
f |
C |
x,y,z |
1_555 |
57 |
21 |
12931 |
409.6 |
-1.9 |
0.539 |
16 |
0 |
0 |
0.277 |
10 |
|
[ATP]G:400 |
31 |
1 |
626 |
f |
G |
x,y,z |
1_555 |
56 |
20 |
12958 |
409.0 |
-1.8 |
0.535 |
16 |
0 |
0 |
0.277 |
11 |
|
[ATP]D:400 |
31 |
1 |
624 |
f |
D |
x,y,z |
1_555 |
56 |
21 |
12887 |
408.4 |
-1.9 |
0.542 |
16 |
0 |
0 |
0.277 |
12 |
|
[ATP]B:400 |
31 |
1 |
622 |
f |
B |
x,y,z |
1_555 |
58 |
21 |
12903 |
408.2 |
-2.4 |
0.538 |
18 |
0 |
0 |
0.277 |
13 |
|
[ATP]A:400 |
30 |
1 |
624 |
f |
A |
x,y,z |
1_555 |
56 |
20 |
12990 |
407.8 |
-1.8 |
0.536 |
17 |
0 |
0 |
0.277 |
14 |
|
[ATP]E:400 |
30 |
1 |
625 |
f |
E |
x,y,z |
1_555 |
54 |
20 |
12951 |
406.3 |
-0.4 |
0.642 |
16 |
0 |
0 |
0.277 |
Average: |
408.5 |
-1.7 |
0.554 |
17 |
0 |
0 |
0.277 |
3 |
15 |
|
G |
26 |
8 |
12958 |
◊ |
D |
x-1/2,-y+3/2,-z+2 |
4_467 |
27 |
8 |
12887 |
265.9 |
-1.6 |
0.439 |
4 |
4 |
0 |
0.000 |
4 |
16 |
|
F |
27 |
7 |
13025 |
x |
F |
x,y,z-1 |
1_554 |
26 |
5 |
13025 |
249.8 |
2.1 |
0.792 |
5 |
4 |
0 |
0.000 |
17 |
|
B |
27 |
7 |
12903 |
x |
B |
x,y,z-1 |
1_554 |
24 |
5 |
12903 |
249.0 |
2.1 |
0.798 |
6 |
3 |
0 |
0.000 |
18 |
|
D |
29 |
8 |
12887 |
x |
D |
x,y,z-1 |
1_554 |
24 |
5 |
12887 |
248.7 |
2.1 |
0.798 |
4 |
4 |
0 |
0.000 |
19 |
|
E |
28 |
7 |
12951 |
x |
E |
x,y,z-1 |
1_554 |
24 |
4 |
12951 |
246.2 |
2.1 |
0.795 |
4 |
3 |
0 |
0.000 |
20 |
|
G |
28 |
8 |
12958 |
x |
G |
x,y,z-1 |
1_554 |
24 |
5 |
12958 |
245.8 |
2.1 |
0.791 |
4 |
3 |
0 |
0.000 |
21 |
|
A |
26 |
7 |
12990 |
x |
A |
x,y,z-1 |
1_554 |
23 |
4 |
12990 |
244.9 |
2.1 |
0.801 |
4 |
3 |
0 |
0.000 |
22 |
|
C |
28 |
8 |
12931 |
x |
C |
x,y,z-1 |
1_554 |
24 |
5 |
12931 |
243.8 |
2.2 |
0.802 |
4 |
3 |
0 |
0.000 |
Average: |
246.9 |
2.1 |
0.797 |
4 |
3 |
0 |
0.000 |
5 |
23 |
|
B |
27 |
8 |
12903 |
◊ |
F |
-x+3/2,y-1/2,-z+2 |
3_647 |
27 |
8 |
13025 |
225.0 |
-1.9 |
0.404 |
2 |
0 |
0 |
0.000 |
6 |
24 |
|
[ATP]A:400 |
9 |
1 |
624 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12903 |
83.9 |
1.4 |
0.744 |
2 |
0 |
0 |
0.000 |
25 |
|
[ATP]C:400 |
9 |
1 |
627 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
12887 |
82.6 |
1.4 |
0.747 |
2 |
0 |
0 |
0.000 |
26 |
|
[ATP]E:400 |
10 |
1 |
625 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
13025 |
82.5 |
1.3 |
0.743 |
2 |
0 |
0 |
0.000 |
27 |
|
[ATP]G:400 |
9 |
1 |
626 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12990 |
82.4 |
1.3 |
0.740 |
2 |
0 |
0 |
0.000 |
28 |
|
[ATP]D:400 |
9 |
1 |
624 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
12951 |
82.4 |
1.5 |
0.754 |
2 |
0 |
0 |
0.000 |
29 |
|
[ATP]F:400 |
10 |
1 |
623 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
12958 |
80.4 |
1.2 |
0.744 |
2 |
0 |
0 |
0.000 |
30 |
|
[ATP]B:400 |
10 |
1 |
622 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
12931 |
79.5 |
1.4 |
0.764 |
2 |
0 |
0 |
0.000 |
Average: |
82.0 |
1.4 |
0.748 |
2 |
0 |
0 |
0.000 |
7 |
31 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
12990 |
43.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.136 |
32 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
12931 |
43.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.136 |
33 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12903 |
43.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.136 |
34 |
|
[MG]E:401 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
12951 |
43.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.136 |
35 |
|
[MG]G:401 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
12958 |
43.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.136 |
36 |
|
[MG]F:401 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
13025 |
42.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.136 |
37 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
12887 |
42.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.136 |
Average: |
43.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.136 |
8 |
38 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
[ATP]B:400 |
x,y,z |
1_555 |
4 |
1 |
622 |
31.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.118 |
39 |
|
[MG]E:401 |
1 |
1 |
98 |
f |
[ATP]E:400 |
x,y,z |
1_555 |
3 |
1 |
625 |
30.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.118 |
40 |
|
[MG]F:401 |
1 |
1 |
98 |
f |
[ATP]F:400 |
x,y,z |
1_555 |
3 |
1 |
623 |
30.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.118 |
41 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
[ATP]A:400 |
x,y,z |
1_555 |
3 |
1 |
624 |
30.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.118 |
42 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
[ATP]D:400 |
x,y,z |
1_555 |
4 |
1 |
624 |
30.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.118 |
43 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
[ATP]C:400 |
x,y,z |
1_555 |
3 |
1 |
627 |
30.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.118 |
44 |
|
[MG]G:401 |
1 |
1 |
98 |
f |
[ATP]G:400 |
x,y,z |
1_555 |
3 |
1 |
626 |
29.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.118 |
Average: |
30.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.118 |
9 |
45 |
|
G |
5 |
2 |
12958 |
◊ |
F |
x,y,z-1 |
1_554 |
3 |
3 |
13025 |
27.9 |
0.0 |
0.561 |
0 |
0 |
0 |
0.000 |
46 |
|
E |
5 |
2 |
12951 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
3 |
12887 |
27.8 |
0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
47 |
|
C |
5 |
2 |
12931 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
3 |
12903 |
27.5 |
0.0 |
0.561 |
0 |
0 |
0 |
0.000 |
48 |
|
A |
5 |
2 |
12990 |
◊ |
G |
x,y,z-1 |
1_554 |
3 |
3 |
12958 |
26.4 |
0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
49 |
|
D |
5 |
2 |
12887 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
3 |
12931 |
23.7 |
0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
50 |
|
F |
5 |
2 |
13025 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
3 |
12951 |
23.1 |
0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
51 |
|
B |
5 |
2 |
12903 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
3 |
12990 |
22.7 |
0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
Average: |
25.6 |
0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
10 |
52 |
|
[MG]E:401 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
13025 |
23.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.040 |
53 |
|
[MG]A:401 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
12903 |
22.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.040 |
54 |
|
[MG]G:401 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
12990 |
22.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.040 |
55 |
|
[MG]F:401 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
12958 |
21.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.040 |
56 |
|
[MG]C:401 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
12887 |
21.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.040 |
57 |
|
[MG]B:401 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
12931 |
21.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.040 |
58 |
|
[MG]D:401 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
12951 |
19.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
21.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.040 |
|