## |
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 |
83 |
19 |
12463 |
◊ |
A |
x,y,z |
1_555 |
85 |
23 |
12249 |
766.6 |
-1.4 |
0.540 |
4 |
6 |
0 |
0.000 |
2 |
|
A |
83 |
20 |
12249 |
◊ |
B |
x-1,y,z |
1_455 |
78 |
22 |
12463 |
763.0 |
0.1 |
0.608 |
3 |
8 |
0 |
0.000 |
3 |
|
D |
79 |
20 |
12276 |
◊ |
C |
x,y,z |
1_555 |
86 |
24 |
12008 |
758.4 |
-2.7 |
0.433 |
5 |
3 |
0 |
0.000 |
4 |
|
C |
70 |
19 |
12008 |
◊ |
D |
x-1,y,z |
1_455 |
78 |
21 |
12276 |
661.7 |
-2.5 |
0.394 |
5 |
5 |
0 |
0.000 |
Average: |
737.4 |
-1.6 |
0.494 |
4 |
6 |
0 |
0.000 |
2 |
5 |
|
D |
72 |
20 |
12276 |
◊ |
A |
x,y,z-1 |
1_554 |
80 |
21 |
12249 |
750.7 |
-1.1 |
0.538 |
12 |
4 |
0 |
0.000 |
6 |
|
C |
68 |
21 |
12008 |
◊ |
B |
x-1,y,z |
1_455 |
83 |
22 |
12463 |
728.7 |
-0.7 |
0.533 |
12 |
5 |
0 |
0.000 |
Average: |
739.7 |
-0.9 |
0.536 |
12 |
5 |
0 |
0.000 |
3 |
7 |
|
[ATP]B:260 |
31 |
1 |
603 |
f |
B |
x,y,z |
1_555 |
51 |
26 |
12463 |
410.3 |
-2.5 |
0.391 |
4 |
0 |
0 |
0.043 |
8 |
|
[ATP]D:260 |
31 |
1 |
614 |
f |
D |
x,y,z |
1_555 |
54 |
24 |
12276 |
409.2 |
-2.9 |
0.392 |
4 |
0 |
0 |
0.043 |
9 |
|
[ATP]A:260 |
31 |
1 |
602 |
f |
A |
x,y,z |
1_555 |
53 |
27 |
12249 |
409.1 |
-2.5 |
0.399 |
4 |
0 |
0 |
0.043 |
10 |
|
[ATP]C:260 |
31 |
1 |
609 |
f |
C |
x,y,z |
1_555 |
51 |
24 |
12008 |
407.5 |
-3.1 |
0.343 |
6 |
0 |
0 |
0.043 |
Average: |
409.0 |
-2.7 |
0.381 |
5 |
0 |
0 |
0.043 |
4 |
11 |
|
C |
52 |
13 |
12008 |
◊ |
B |
x,y,z |
1_555 |
39 |
11 |
12463 |
385.2 |
1.9 |
0.737 |
5 |
2 |
0 |
0.000 |
12 |
|
A |
36 |
12 |
12249 |
◊ |
D |
x-1,y,z+1 |
1_456 |
40 |
12 |
12276 |
338.0 |
0.3 |
0.497 |
2 |
0 |
0 |
0.000 |
Average: |
361.6 |
1.1 |
0.617 |
4 |
1 |
0 |
0.000 |
5 |
13 |
|
A |
40 |
9 |
12249 |
x |
A |
x-1,y,z |
1_455 |
40 |
11 |
12249 |
341.6 |
1.0 |
0.643 |
3 |
4 |
0 |
0.000 |
14 |
|
B |
40 |
9 |
12463 |
x |
B |
x-1,y,z |
1_455 |
35 |
9 |
12463 |
314.2 |
-0.3 |
0.473 |
3 |
4 |
0 |
0.000 |
15 |
|
D |
27 |
9 |
12276 |
x |
D |
x-1,y,z |
1_455 |
31 |
10 |
12276 |
302.0 |
1.8 |
0.739 |
4 |
6 |
0 |
0.000 |
16 |
|
C |
19 |
7 |
12008 |
x |
C |
x-1,y,z |
1_455 |
26 |
8 |
12008 |
203.3 |
-1.5 |
0.317 |
0 |
2 |
0 |
0.000 |
Average: |
290.3 |
0.3 |
0.543 |
3 |
4 |
0 |
0.000 |
6 |
17 |
|
C |
13 |
3 |
12008 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
14 |
4 |
12008 |
139.5 |
1.0 |
0.721 |
2 |
4 |
0 |
0.000 |
7 |
18 |
|
B |
17 |
4 |
12463 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
11 |
4 |
12249 |
127.1 |
-0.4 |
0.506 |
1 |
0 |
0 |
0.000 |
8 |
19 |
|
B |
15 |
6 |
12463 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
14 |
7 |
12276 |
126.4 |
0.1 |
0.591 |
1 |
1 |
0 |
0.000 |
9 |
20 |
|
B |
12 |
4 |
12463 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
17 |
5 |
12008 |
122.6 |
0.1 |
0.604 |
1 |
0 |
0 |
0.000 |
10 |
21 |
|
[MN]C:259 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
12008 |
48.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.026 |
22 |
|
[MN]B:259 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12463 |
46.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.026 |
23 |
|
[MN]A:259 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12249 |
46.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.026 |
24 |
|
[MN]D:259 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
12276 |
45.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
46.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.026 |
11 |
25 |
|
[ATP]C:260 |
7 |
1 |
609 |
f |
[MN]C:259 |
x,y,z |
1_555 |
1 |
1 |
123 |
47.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.038 |
26 |
|
[ATP]B:260 |
5 |
1 |
603 |
f |
[MN]B:259 |
x,y,z |
1_555 |
1 |
1 |
123 |
47.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.038 |
27 |
|
[ATP]A:260 |
6 |
1 |
602 |
f |
[MN]A:259 |
x,y,z |
1_555 |
1 |
1 |
123 |
46.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.038 |
28 |
|
[ATP]D:260 |
6 |
1 |
614 |
f |
[MN]D:259 |
x,y,z |
1_555 |
1 |
1 |
123 |
44.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
46.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.038 |
12 |
29 |
|
B |
5 |
3 |
12463 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
12276 |
41.8 |
0.3 |
0.587 |
0 |
0 |
0 |
0.000 |
13 |
30 |
|
D |
4 |
3 |
12276 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
12463 |
29.5 |
-0.7 |
0.233 |
0 |
0 |
0 |
0.000 |
14 |
31 |
|
[ATP]D:260 |
5 |
1 |
614 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
12008 |
16.6 |
-0.4 |
0.552 |
0 |
0 |
0 |
0.000 |
32 |
|
[ATP]C:260 |
4 |
1 |
609 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
12276 |
14.0 |
-0.1 |
0.588 |
0 |
0 |
0 |
0.000 |
33 |
|
[ATP]A:260 |
3 |
1 |
602 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
12463 |
13.9 |
-0.3 |
0.590 |
0 |
0 |
0 |
0.000 |
34 |
|
[ATP]B:260 |
3 |
1 |
603 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12249 |
11.3 |
-0.3 |
0.589 |
0 |
0 |
0 |
0.000 |
Average: |
14.0 |
-0.3 |
0.580 |
0 |
0 |
0 |
0.000 |
15 |
35 |
|
[MN]D:259 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12008 |
10.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[MN]A:259 |
1 |
1 |
123 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
12463 |
4.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[MN]B:259 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12249 |
3.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
6.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
38 |
|
A |
2 |
1 |
12249 |
x |
A |
-x-1,y-1/2,-z+1 |
2_446 |
3 |
1 |
12249 |
8.2 |
0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
|