| ## |
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 |
|
J |
363 |
92 |
20649 |
◊ |
I |
x,y,z |
1_555 |
368 |
92 |
20672 |
3665.5 |
-48.5 |
0.884 |
30 |
6 |
0 |
1.000 |
2 |
|
L |
358 |
91 |
20667 |
◊ |
K |
x,y,z |
1_555 |
360 |
91 |
20749 |
3618.2 |
-50.5 |
0.836 |
28 |
5 |
0 |
1.000 |
| Average: |
3641.9 |
-49.5 |
0.860 |
29 |
6 |
0 |
1.000 |
| 2 |
3 |
|
H |
230 |
64 |
12875 |
◊ |
G |
x,y,z |
1_555 |
229 |
64 |
12702 |
2380.6 |
-33.4 |
0.004 |
14 |
7 |
0 |
0.734 |
4 |
|
D |
228 |
63 |
12968 |
◊ |
C |
x,y,z |
1_555 |
230 |
64 |
12730 |
2347.9 |
-34.4 |
0.003 |
13 |
8 |
0 |
0.734 |
5 |
|
F |
225 |
65 |
12887 |
◊ |
E |
x,y,z |
1_555 |
223 |
62 |
12843 |
2347.5 |
-34.6 |
0.003 |
13 |
8 |
0 |
0.734 |
6 |
|
B |
227 |
65 |
12918 |
◊ |
A |
x,y,z |
1_555 |
230 |
62 |
12883 |
2344.4 |
-34.3 |
0.003 |
14 |
8 |
0 |
0.734 |
| Average: |
2355.1 |
-34.2 |
0.003 |
14 |
8 |
0 |
0.734 |
| 3 |
7 |
|
G |
76 |
20 |
12702 |
◊ |
F |
x,y,z |
1_555 |
68 |
18 |
12887 |
704.9 |
-10.9 |
0.062 |
6 |
0 |
0 |
0.541 |
8 |
|
C |
71 |
19 |
12730 |
◊ |
B |
x,y,z |
1_555 |
70 |
19 |
12918 |
689.1 |
-10.7 |
0.062 |
8 |
0 |
0 |
0.541 |
9 |
|
H |
73 |
19 |
12875 |
◊ |
A |
x,y,z |
1_555 |
69 |
19 |
12883 |
688.9 |
-10.7 |
0.067 |
7 |
0 |
0 |
0.541 |
10 |
|
E |
67 |
18 |
12843 |
◊ |
D |
x,y,z |
1_555 |
70 |
19 |
12968 |
672.1 |
-10.4 |
0.068 |
7 |
0 |
0 |
0.541 |
| Average: |
688.7 |
-10.7 |
0.065 |
7 |
0 |
0 |
0.541 |
| 4 |
11 |
|
K |
39 |
14 |
20749 |
◊ |
B |
x,y,z |
1_555 |
52 |
19 |
12918 |
431.5 |
-3.8 |
0.528 |
6 |
0 |
0 |
0.058 |
12 |
|
L |
41 |
13 |
20667 |
◊ |
F |
x,y,z |
1_555 |
51 |
18 |
12887 |
429.7 |
-4.0 |
0.535 |
6 |
0 |
0 |
0.058 |
13 |
|
I |
40 |
13 |
20672 |
◊ |
C |
x,y,z |
1_555 |
49 |
17 |
12730 |
413.2 |
-4.0 |
0.524 |
6 |
0 |
0 |
0.058 |
14 |
|
J |
38 |
12 |
20649 |
◊ |
G |
x,y,z |
1_555 |
49 |
16 |
12702 |
410.9 |
-4.1 |
0.501 |
6 |
0 |
0 |
0.058 |
| Average: |
421.3 |
-4.0 |
0.522 |
6 |
0 |
0 |
0.058 |
| 5 |
15 |
|
[ATP]H:301 |
30 |
1 |
621 |
f |
H |
x,y,z |
1_555 |
58 |
24 |
12875 |
399.2 |
-1.9 |
0.547 |
10 |
0 |
0 |
0.507 |
16 |
|
[ATP]C:601 |
30 |
1 |
622 |
f |
C |
x,y,z |
1_555 |
56 |
24 |
12730 |
397.4 |
-1.8 |
0.545 |
12 |
0 |
0 |
0.507 |
17 |
|
[ATP]A:601 |
30 |
1 |
617 |
f |
A |
x,y,z |
1_555 |
53 |
23 |
12883 |
396.3 |
-0.4 |
0.564 |
13 |
0 |
0 |
0.507 |
18 |
|
[ATP]B:301 |
29 |
1 |
619 |
f |
B |
x,y,z |
1_555 |
51 |
23 |
12918 |
395.7 |
-0.7 |
0.556 |
13 |
0 |
0 |
0.507 |
19 |
|
[ATP]G:601 |
29 |
1 |
621 |
f |
G |
x,y,z |
1_555 |
50 |
23 |
12702 |
395.4 |
-0.8 |
0.565 |
12 |
0 |
0 |
0.507 |
20 |
|
[ATP]D:301 |
29 |
1 |
614 |
f |
D |
x,y,z |
1_555 |
54 |
23 |
12968 |
395.1 |
-1.0 |
0.561 |
13 |
0 |
0 |
0.507 |
21 |
|
[ATP]F:301 |
28 |
1 |
618 |
f |
F |
x,y,z |
1_555 |
54 |
24 |
12887 |
394.8 |
-0.5 |
0.576 |
11 |
0 |
0 |
0.507 |
22 |
|
[ATP]E:601 |
31 |
1 |
615 |
f |
E |
x,y,z |
1_555 |
54 |
23 |
12843 |
392.4 |
-0.5 |
0.582 |
15 |
0 |
0 |
0.507 |
| Average: |
395.8 |
-0.9 |
0.562 |
12 |
0 |
0 |
0.507 |
| 6 |
23 |
|
E |
42 |
12 |
12843 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
12 |
12702 |
392.8 |
5.6 |
0.912 |
1 |
3 |
0 |
0.000 |
| 7 |
24 |
|
I |
36 |
8 |
20672 |
◊ |
E |
x,y,z |
1_555 |
37 |
12 |
12843 |
352.5 |
-5.1 |
0.376 |
3 |
0 |
0 |
0.052 |
25 |
|
K |
35 |
8 |
20749 |
◊ |
H |
x,y,z |
1_555 |
36 |
12 |
12875 |
345.5 |
-4.8 |
0.386 |
3 |
0 |
0 |
0.052 |
26 |
|
J |
35 |
8 |
20649 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
12883 |
337.7 |
-4.6 |
0.416 |
2 |
0 |
0 |
0.052 |
27 |
|
L |
33 |
8 |
20667 |
◊ |
D |
x,y,z |
1_555 |
34 |
12 |
12968 |
328.1 |
-4.4 |
0.408 |
2 |
0 |
0 |
0.052 |
| Average: |
341.0 |
-4.8 |
0.396 |
3 |
0 |
0 |
0.052 |
| 8 |
28 |
|
E |
28 |
6 |
12843 |
◊ |
A |
x,y-1,z |
1_545 |
27 |
9 |
12883 |
253.7 |
-2.2 |
0.370 |
1 |
3 |
0 |
0.000 |
| 9 |
29 |
|
G |
25 |
9 |
12702 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
10 |
12918 |
205.1 |
1.0 |
0.524 |
3 |
3 |
0 |
0.000 |
| 10 |
30 |
|
G |
22 |
7 |
12702 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
6 |
12883 |
171.2 |
-1.1 |
0.450 |
0 |
0 |
0 |
0.000 |
| 11 |
31 |
|
J |
21 |
7 |
20649 |
◊ |
L |
x,y,z-1 |
1_554 |
20 |
7 |
20667 |
162.6 |
-0.5 |
0.854 |
2 |
4 |
0 |
0.000 |
| 12 |
32 |
|
F |
14 |
5 |
12887 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
10 |
5 |
20672 |
124.7 |
-1.7 |
0.263 |
0 |
0 |
0 |
0.000 |
| 13 |
33 |
|
I |
14 |
5 |
20672 |
◊ |
K |
x,y,z-1 |
1_554 |
14 |
5 |
20749 |
101.4 |
2.2 |
0.956 |
1 |
4 |
0 |
0.000 |
| 14 |
34 |
|
K |
10 |
3 |
20749 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
12968 |
80.0 |
0.2 |
0.684 |
0 |
0 |
0 |
0.000 |
35 |
|
I |
10 |
3 |
20672 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
12883 |
77.1 |
1.1 |
0.785 |
0 |
0 |
0 |
0.000 |
36 |
|
J |
12 |
5 |
20649 |
◊ |
E |
x,y,z |
1_555 |
11 |
6 |
12843 |
71.1 |
-0.8 |
0.601 |
0 |
0 |
0 |
0.000 |
37 |
|
L |
11 |
3 |
20667 |
◊ |
H |
x,y,z |
1_555 |
6 |
5 |
12875 |
61.5 |
-0.8 |
0.582 |
0 |
0 |
0 |
0.000 |
| Average: |
72.4 |
-0.1 |
0.663 |
0 |
0 |
0 |
0.001 |
| 15 |
38 |
|
F |
7 |
2 |
12887 |
◊ |
K |
-x,y-1/2,-z+1 |
2_546 |
13 |
4 |
20749 |
78.8 |
-0.8 |
0.521 |
0 |
0 |
0 |
0.000 |
| 16 |
39 |
|
[ATP]H:301 |
7 |
1 |
621 |
◊ |
G |
x,y,z |
1_555 |
7 |
2 |
12702 |
69.9 |
-0.6 |
0.532 |
2 |
0 |
0 |
0.054 |
40 |
|
[ATP]F:301 |
7 |
1 |
618 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
12843 |
69.6 |
-0.3 |
0.557 |
4 |
0 |
0 |
0.054 |
41 |
|
[ATP]B:301 |
7 |
1 |
619 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
12883 |
68.1 |
-0.4 |
0.544 |
2 |
0 |
0 |
0.054 |
42 |
|
[ATP]C:601 |
7 |
1 |
622 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
12968 |
66.6 |
-0.7 |
0.518 |
2 |
0 |
0 |
0.054 |
43 |
|
[ATP]D:301 |
7 |
1 |
614 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
12730 |
64.4 |
-0.6 |
0.532 |
2 |
0 |
0 |
0.054 |
44 |
|
[ATP]G:601 |
7 |
1 |
621 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
12875 |
64.4 |
-0.4 |
0.561 |
2 |
0 |
0 |
0.054 |
45 |
|
[ATP]A:601 |
6 |
1 |
617 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
12918 |
63.0 |
-0.5 |
0.520 |
2 |
0 |
0 |
0.054 |
46 |
|
[ATP]E:601 |
7 |
1 |
615 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
12887 |
62.6 |
-0.4 |
0.538 |
1 |
0 |
0 |
0.054 |
| Average: |
66.1 |
-0.5 |
0.538 |
2 |
0 |
0 |
0.054 |
| 17 |
47 |
|
H |
9 |
6 |
12875 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
12883 |
63.4 |
0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
| 18 |
48 |
|
I |
2 |
1 |
20672 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
12702 |
39.9 |
1.4 |
0.893 |
1 |
1 |
0 |
0.000 |
49 |
|
K |
2 |
1 |
20749 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
12887 |
39.2 |
1.4 |
0.869 |
1 |
1 |
0 |
0.000 |
50 |
|
L |
2 |
1 |
20667 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12918 |
38.8 |
1.5 |
0.892 |
1 |
1 |
0 |
0.000 |
51 |
|
J |
2 |
1 |
20649 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
12730 |
38.0 |
1.4 |
0.886 |
1 |
1 |
0 |
0.000 |
| Average: |
39.0 |
1.4 |
0.885 |
1 |
1 |
0 |
0.000 |
| 19 |
52 |
|
L |
4 |
2 |
20667 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
12968 |
18.4 |
-0.2 |
0.620 |
0 |
0 |
0 |
0.000 |
| 20 |
53 |
|
D |
1 |
1 |
12968 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12918 |
17.7 |
0.2 |
0.734 |
0 |
0 |
0 |
0.000 |
54 |
|
H |
4 |
2 |
12875 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12918 |
17.5 |
0.2 |
0.716 |
0 |
0 |
0 |
0.000 |
55 |
|
E |
4 |
2 |
12843 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12730 |
17.1 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
56 |
|
H |
1 |
1 |
12875 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
12887 |
15.8 |
0.3 |
0.750 |
0 |
0 |
0 |
0.000 |
57 |
|
F |
1 |
1 |
12887 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
12968 |
13.6 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
58 |
|
C |
4 |
2 |
12730 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12883 |
9.2 |
0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
59 |
|
G |
1 |
1 |
12702 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12883 |
6.5 |
0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
60 |
|
G |
2 |
2 |
12702 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12843 |
4.7 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
| Average: |
12.8 |
0.2 |
0.720 |
0 |
0 |
0 |
0.000 |
| 21 |
61 |
|
E |
4 |
1 |
12843 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
12918 |
16.6 |
0.5 |
0.759 |
0 |
0 |
0 |
0.000 |
| 22 |
62 |
|
[ATP]H:301 |
3 |
1 |
621 |
◊ |
[ATP]G:601 |
x,y,z |
1_555 |
2 |
1 |
621 |
11.7 |
-0.0 |
0.464 |
0 |
0 |
0 |
0.001 |
63 |
|
[ATP]B:301 |
2 |
1 |
619 |
◊ |
[ATP]A:601 |
x,y,z |
1_555 |
1 |
1 |
617 |
11.2 |
0.2 |
0.477 |
0 |
0 |
0 |
0.001 |
64 |
|
[ATP]F:301 |
1 |
1 |
618 |
◊ |
[ATP]E:601 |
x,y,z |
1_555 |
2 |
1 |
615 |
8.3 |
0.2 |
0.445 |
0 |
0 |
0 |
0.001 |
65 |
|
[ATP]D:301 |
2 |
1 |
614 |
◊ |
[ATP]C:601 |
x,y,z |
1_555 |
3 |
1 |
622 |
8.1 |
-0.1 |
0.458 |
0 |
0 |
0 |
0.001 |
| Average: |
9.9 |
0.1 |
0.461 |
0 |
0 |
0 |
0.001 |
|