## |
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 |
123 |
35 |
13485 |
x |
A |
-y+1,-x+1,-z+1 |
8_666 |
100 |
23 |
13641 |
1068.1 |
-10.0 |
0.244 |
7 |
4 |
0 |
0.396 |
2 |
|
C |
93 |
24 |
13493 |
x |
C |
-y+1/2,x-1/2,z |
3_545 |
115 |
32 |
13493 |
1040.0 |
-10.5 |
0.158 |
7 |
4 |
0 |
0.396 |
3 |
|
B |
97 |
24 |
13485 |
x |
A |
x,y,z |
1_555 |
113 |
34 |
13641 |
1036.2 |
-9.5 |
0.233 |
9 |
4 |
0 |
0.396 |
4 |
|
D |
70 |
22 |
12582 |
x |
D |
-y+1/2,x-1/2,z |
3_545 |
53 |
14 |
12582 |
595.6 |
-7.7 |
0.236 |
6 |
4 |
0 |
0.396 |
Average: |
935.0 |
-9.4 |
0.218 |
7 |
4 |
0 |
0.396 |
2 |
5 |
|
B |
81 |
26 |
13485 |
◊ |
A |
y+1,x-1,-z+1 |
7_646 |
82 |
29 |
13641 |
744.7 |
-8.4 |
0.264 |
4 |
0 |
0 |
0.150 |
6 |
|
D |
77 |
25 |
12582 |
◊ |
C |
x,y,z-1 |
1_554 |
78 |
27 |
13493 |
700.6 |
-10.0 |
0.162 |
4 |
0 |
0 |
0.150 |
Average: |
722.6 |
-9.2 |
0.213 |
4 |
0 |
0 |
0.150 |
3 |
7 |
|
D |
55 |
16 |
12582 |
◊ |
A |
x,y,z |
1_555 |
58 |
16 |
13641 |
532.8 |
-2.5 |
0.595 |
5 |
2 |
0 |
0.000 |
4 |
8 |
|
[ATP]B:675 |
30 |
1 |
609 |
f |
B |
x,y,z |
1_555 |
45 |
15 |
13485 |
398.1 |
-2.8 |
0.522 |
13 |
0 |
0 |
0.259 |
9 |
|
[ATP]A:675 |
30 |
1 |
609 |
f |
A |
x,y,z |
1_555 |
49 |
18 |
13641 |
396.5 |
-3.4 |
0.471 |
12 |
0 |
0 |
0.259 |
10 |
|
[ATP]C:675 |
30 |
1 |
621 |
f |
C |
x,y,z |
1_555 |
49 |
18 |
13493 |
396.3 |
-2.7 |
0.522 |
14 |
0 |
0 |
0.259 |
11 |
|
[ATP]D:675 |
26 |
1 |
623 |
f |
D |
x,y,z |
1_555 |
41 |
17 |
12582 |
308.7 |
-3.3 |
0.501 |
10 |
0 |
0 |
0.259 |
Average: |
374.9 |
-3.0 |
0.504 |
12 |
0 |
0 |
0.259 |
5 |
12 |
|
C |
32 |
9 |
13493 |
◊ |
B |
x,y,z |
1_555 |
32 |
8 |
13485 |
277.0 |
-1.2 |
0.575 |
4 |
1 |
0 |
0.000 |
6 |
13 |
|
B |
28 |
8 |
13485 |
◊ |
B |
y+1,x-1,-z+1 |
7_646 |
28 |
8 |
13485 |
252.5 |
-2.8 |
0.359 |
0 |
0 |
0 |
0.037 |
14 |
|
A |
25 |
8 |
13641 |
◊ |
A |
-x+2,-y,z |
2_755 |
25 |
8 |
13641 |
199.6 |
-3.4 |
0.271 |
0 |
0 |
0 |
0.037 |
15 |
|
C |
10 |
4 |
13493 |
◊ |
D |
-y+1/2,x-1/2,z+1 |
3_546 |
12 |
3 |
12582 |
57.6 |
-1.0 |
0.427 |
0 |
0 |
0 |
0.037 |
Average: |
169.9 |
-2.4 |
0.352 |
0 |
0 |
0 |
0.037 |
7 |
16 |
|
[ATP]C:675 |
7 |
1 |
621 |
◊ |
C |
-y+1/2,x-1/2,z |
3_545 |
7 |
3 |
13493 |
62.5 |
-2.6 |
0.188 |
0 |
0 |
0 |
0.074 |
17 |
|
[ATP]A:675 |
6 |
1 |
609 |
◊ |
B |
-y+1,-x+1,-z+1 |
8_666 |
7 |
3 |
13485 |
58.2 |
-2.6 |
0.199 |
0 |
0 |
0 |
0.074 |
18 |
|
[ATP]B:675 |
7 |
1 |
609 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13641 |
57.9 |
-2.5 |
0.221 |
0 |
0 |
0 |
0.074 |
Average: |
59.5 |
-2.6 |
0.203 |
0 |
0 |
0 |
0.074 |
8 |
19 |
|
A |
5 |
2 |
13641 |
◊ |
D |
-y+1/2,x-1/2,z |
3_545 |
8 |
4 |
12582 |
52.5 |
-0.0 |
0.551 |
1 |
0 |
0 |
0.000 |
9 |
20 |
|
D |
6 |
3 |
12582 |
◊ |
[ATP]D:675 |
-y+1/2,x-1/2,z |
3_545 |
5 |
1 |
623 |
47.9 |
-1.1 |
0.299 |
0 |
0 |
0 |
0.038 |
10 |
21 |
|
[MG]A:674 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13641 |
44.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.179 |
22 |
|
[MG]D:674 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
12582 |
42.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.179 |
23 |
|
[MG]B:674 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
13485 |
40.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.179 |
24 |
|
[MG]C:674 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
13493 |
40.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.179 |
Average: |
42.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.179 |
11 |
25 |
|
[ATP]C:675 |
7 |
1 |
621 |
f |
[MG]C:674 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.160 |
26 |
|
[ATP]B:675 |
5 |
1 |
609 |
f |
[MG]B:674 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.160 |
27 |
|
[ATP]D:675 |
5 |
1 |
623 |
f |
[MG]D:674 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.160 |
28 |
|
[ATP]A:675 |
3 |
1 |
609 |
f |
[MG]A:674 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
35.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.160 |
|