## |
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 |
|
D |
222 |
44 |
6120 |
◊ |
C |
x,y,z |
1_555 |
282 |
71 |
14738 |
2524.4 |
-31.0 |
0.286 |
25 |
7 |
0 |
1.000 |
2 |
|
F |
223 |
43 |
6124 |
◊ |
E |
x,y,z |
1_555 |
276 |
67 |
14878 |
2522.8 |
-31.0 |
0.260 |
23 |
6 |
0 |
1.000 |
Average: |
2523.6 |
-31.0 |
0.273 |
24 |
7 |
0 |
1.000 |
2 |
3 |
|
B |
248 |
71 |
15024 |
◊ |
A |
x,y,z |
1_555 |
248 |
70 |
14735 |
2340.2 |
-22.6 |
0.168 |
29 |
21 |
0 |
0.499 |
3 |
4 |
|
C |
46 |
13 |
14738 |
◊ |
A |
x,y,z |
1_555 |
52 |
12 |
14735 |
404.7 |
-0.5 |
0.560 |
2 |
1 |
0 |
0.000 |
5 |
|
E |
41 |
12 |
14878 |
◊ |
B |
x,y,z |
1_555 |
47 |
12 |
15024 |
395.1 |
-0.2 |
0.627 |
2 |
0 |
0 |
0.000 |
Average: |
399.9 |
-0.3 |
0.593 |
2 |
1 |
0 |
0.000 |
4 |
6 |
|
C |
50 |
17 |
14738 |
◊ |
B |
x,y,z |
1_555 |
45 |
14 |
15024 |
401.1 |
-0.8 |
0.549 |
0 |
1 |
0 |
0.000 |
7 |
|
E |
48 |
15 |
14878 |
◊ |
A |
x,y,z |
1_555 |
40 |
12 |
14735 |
375.3 |
-0.9 |
0.514 |
1 |
1 |
0 |
0.000 |
Average: |
388.2 |
-0.9 |
0.532 |
1 |
1 |
0 |
0.000 |
5 |
8 |
|
[ATP]A:401 |
30 |
1 |
628 |
f |
A |
x,y,z |
1_555 |
64 |
26 |
14735 |
345.3 |
-2.1 |
0.567 |
9 |
0 |
0 |
0.079 |
6 |
9 |
|
[ATP]B:401 |
30 |
1 |
618 |
f |
B |
x,y,z |
1_555 |
67 |
26 |
15024 |
339.5 |
-1.7 |
0.613 |
10 |
0 |
0 |
0.079 |
7 |
10 |
|
E |
20 |
8 |
14878 |
◊ |
D |
x-1/2,y+1/2,z-1 |
3_454 |
19 |
6 |
6120 |
191.1 |
-3.1 |
0.329 |
1 |
5 |
0 |
0.000 |
8 |
11 |
|
[ATP]A:401 |
19 |
1 |
628 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
15024 |
188.9 |
-2.3 |
0.435 |
1 |
0 |
0 |
0.035 |
9 |
12 |
|
[ATP]B:401 |
19 |
1 |
618 |
◊ |
A |
x,y,z |
1_555 |
28 |
11 |
14735 |
187.0 |
-3.0 |
0.379 |
0 |
0 |
0 |
0.039 |
10 |
13 |
|
E |
20 |
7 |
14878 |
◊ |
C |
x-1/2,y+1/2,z-1 |
3_454 |
15 |
4 |
14738 |
138.4 |
2.0 |
0.831 |
3 |
2 |
0 |
0.000 |
11 |
14 |
|
F |
11 |
3 |
6124 |
◊ |
F |
-x+3,y,-z |
2_855 |
11 |
3 |
6124 |
125.5 |
-3.6 |
0.318 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
B |
12 |
4 |
15024 |
◊ |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
13 |
4 |
14735 |
109.0 |
-1.1 |
0.463 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
B |
9 |
2 |
15024 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
10 |
3 |
14878 |
91.5 |
-1.0 |
0.391 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
D |
9 |
3 |
6120 |
◊ |
C |
-x+3,y,-z+2 |
2_857 |
9 |
3 |
14738 |
82.9 |
-1.9 |
0.313 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
C |
9 |
5 |
14738 |
◊ |
C |
-x+3,y,-z+2 |
2_857 |
9 |
5 |
14738 |
81.0 |
1.1 |
0.797 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
F |
7 |
4 |
6124 |
◊ |
E |
-x+3,y,-z |
2_855 |
8 |
4 |
14878 |
62.3 |
-0.9 |
0.521 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
C |
7 |
3 |
14738 |
◊ |
B |
-x+3,y,-z+1 |
2_856 |
10 |
4 |
15024 |
60.0 |
0.4 |
0.723 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
15024 |
39.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.151 |
22 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14735 |
37.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.151 |
Average: |
38.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.151 |
19 |
23 |
|
A |
2 |
2 |
14735 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
6 |
2 |
6120 |
38.7 |
-0.6 |
0.225 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
C |
4 |
2 |
14738 |
◊ |
F |
-x+5/2,y-1/2,-z+1 |
4_746 |
4 |
2 |
6124 |
36.2 |
-0.6 |
0.397 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[ZN]A:403 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
15024 |
35.6 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.342 |
26 |
|
[ZN]A:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14735 |
34.5 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.342 |
Average: |
35.1 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.342 |
22 |
27 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[ATP]B:401 |
x,y,z |
1_555 |
5 |
1 |
618 |
31.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.119 |
28 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[ATP]A:401 |
x,y,z |
1_555 |
7 |
1 |
628 |
30.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
30.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.119 |
23 |
29 |
|
C |
2 |
1 |
14738 |
◊ |
E |
-x+3,y-1,-z+1 |
2_846 |
2 |
1 |
14878 |
29.3 |
0.2 |
0.621 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
A |
2 |
1 |
14735 |
◊ |
E |
-x+5/2,y-1/2,-z+1 |
4_746 |
3 |
1 |
14878 |
29.2 |
-0.0 |
0.364 |
0 |
1 |
0 |
0.000 |
25 |
31 |
|
C |
6 |
1 |
14738 |
◊ |
F |
-x+3,y-1,-z+1 |
2_846 |
1 |
1 |
6124 |
18.6 |
-0.4 |
0.362 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
C |
5 |
4 |
14738 |
◊ |
E |
-x+5/2,y-1/2,-z+1 |
4_746 |
5 |
2 |
14878 |
16.3 |
-0.2 |
0.534 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
B |
4 |
2 |
15024 |
◊ |
E |
-x+5/2,y-1/2,-z+1 |
4_746 |
3 |
1 |
14878 |
14.0 |
0.4 |
0.746 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
C |
2 |
1 |
14738 |
◊ |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
2 |
1 |
14735 |
8.6 |
-0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
A |
1 |
1 |
14735 |
◊ |
A |
-x+3,y,-z+1 |
2_856 |
1 |
1 |
14735 |
7.6 |
-0.2 |
0.259 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[ATP]B:401 |
1 |
1 |
618 |
◊ |
[ATP]A:401 |
x,y,z |
1_555 |
1 |
1 |
628 |
6.7 |
0.2 |
0.435 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
B |
2 |
1 |
15024 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
6124 |
4.2 |
-0.1 |
0.512 |
0 |
0 |
0 |
0.000 |
|