## |
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 |
362 |
90 |
22645 |
◊ |
C |
x,y,z |
1_555 |
354 |
90 |
22752 |
3531.0 |
-56.1 |
0.000 |
23 |
14 |
0 |
0.719 |
2 |
|
H |
351 |
91 |
22670 |
◊ |
G |
x,y,z |
1_555 |
358 |
87 |
22655 |
3503.2 |
-51.5 |
0.001 |
20 |
13 |
0 |
0.719 |
3 |
|
B |
355 |
87 |
22773 |
◊ |
A |
x,y,z |
1_555 |
357 |
89 |
23183 |
3482.9 |
-53.5 |
0.001 |
24 |
14 |
0 |
0.719 |
4 |
|
F |
349 |
90 |
22799 |
◊ |
E |
x,y,z |
1_555 |
352 |
89 |
22708 |
3449.2 |
-56.5 |
0.000 |
22 |
14 |
0 |
0.719 |
Average: |
3491.6 |
-54.4 |
0.001 |
22 |
14 |
0 |
0.719 |
2 |
5 |
|
D |
59 |
17 |
22645 |
◊ |
A |
x,y,z |
1_555 |
47 |
12 |
23183 |
541.1 |
-0.2 |
0.702 |
3 |
0 |
0 |
0.000 |
3 |
6 |
|
[ATP]A:900 |
31 |
1 |
621 |
f |
A |
x,y,z |
1_555 |
62 |
26 |
23183 |
465.7 |
-0.4 |
0.682 |
5 |
0 |
0 |
0.055 |
7 |
|
[ATP]E:900 |
30 |
1 |
617 |
f |
E |
x,y,z |
1_555 |
69 |
26 |
22708 |
460.1 |
-1.3 |
0.643 |
4 |
0 |
0 |
0.055 |
8 |
|
[ATP]C:900 |
30 |
1 |
627 |
f |
C |
x,y,z |
1_555 |
62 |
24 |
22752 |
457.9 |
-2.2 |
0.553 |
4 |
0 |
0 |
0.055 |
9 |
|
[ATP]G:900 |
31 |
1 |
618 |
f |
G |
x,y,z |
1_555 |
62 |
26 |
22655 |
454.1 |
-2.8 |
0.530 |
5 |
0 |
0 |
0.055 |
Average: |
459.5 |
-1.7 |
0.602 |
5 |
0 |
0 |
0.055 |
4 |
10 |
|
[ATP]F:900 |
31 |
1 |
619 |
f |
F |
x,y,z |
1_555 |
59 |
26 |
22799 |
459.8 |
-1.9 |
0.586 |
4 |
0 |
0 |
0.044 |
11 |
|
[ATP]B:900 |
30 |
1 |
618 |
f |
B |
x,y,z |
1_555 |
69 |
27 |
22773 |
456.5 |
-2.2 |
0.582 |
4 |
0 |
0 |
0.044 |
12 |
|
[ATP]D:900 |
31 |
1 |
616 |
f |
D |
x,y,z |
1_555 |
61 |
26 |
22645 |
455.7 |
-2.0 |
0.601 |
4 |
0 |
0 |
0.044 |
13 |
|
[ATP]H:900 |
29 |
1 |
615 |
f |
H |
x,y,z |
1_555 |
61 |
27 |
22670 |
450.4 |
-1.8 |
0.605 |
5 |
0 |
0 |
0.044 |
Average: |
455.6 |
-2.0 |
0.593 |
4 |
0 |
0 |
0.044 |
5 |
14 |
|
D |
48 |
15 |
22645 |
◊ |
G |
x,y-1,z |
1_545 |
49 |
16 |
22655 |
441.1 |
-3.8 |
0.357 |
2 |
0 |
0 |
0.000 |
15 |
|
B |
53 |
17 |
22773 |
◊ |
E |
x,y,z |
1_555 |
43 |
13 |
22708 |
422.6 |
-4.6 |
0.282 |
4 |
0 |
0 |
0.000 |
16 |
|
F |
45 |
16 |
22799 |
◊ |
A |
x,y,z |
1_555 |
42 |
13 |
23183 |
422.2 |
-4.5 |
0.288 |
2 |
0 |
0 |
0.000 |
17 |
|
C |
39 |
14 |
22752 |
◊ |
H |
x,y-1,z |
1_545 |
44 |
16 |
22670 |
418.9 |
-3.7 |
0.339 |
1 |
0 |
0 |
0.000 |
Average: |
426.2 |
-4.2 |
0.316 |
2 |
0 |
0 |
0.000 |
6 |
18 |
|
H |
44 |
13 |
22670 |
◊ |
E |
x-1,y,z+1 |
1_456 |
45 |
14 |
22708 |
390.6 |
1.4 |
0.784 |
1 |
0 |
0 |
0.000 |
19 |
|
G |
43 |
13 |
22655 |
◊ |
F |
x-1,y,z |
1_455 |
43 |
12 |
22799 |
363.6 |
0.4 |
0.719 |
0 |
0 |
0 |
0.000 |
20 |
|
C |
36 |
13 |
22752 |
◊ |
B |
x-1,y,z+1 |
1_456 |
41 |
12 |
22773 |
350.4 |
1.5 |
0.791 |
0 |
0 |
0 |
0.000 |
21 |
|
D |
36 |
9 |
22645 |
◊ |
A |
x-1,y,z |
1_455 |
34 |
12 |
23183 |
297.9 |
0.8 |
0.753 |
1 |
0 |
0 |
0.000 |
Average: |
350.6 |
1.0 |
0.762 |
1 |
0 |
0 |
0.000 |
7 |
22 |
|
H |
36 |
13 |
22670 |
x |
H |
x-1,y,z |
1_455 |
27 |
8 |
22670 |
226.4 |
0.2 |
0.604 |
0 |
0 |
0 |
0.000 |
8 |
23 |
|
F |
22 |
8 |
22799 |
x |
F |
x-1,y,z |
1_455 |
26 |
9 |
22799 |
211.4 |
-0.4 |
0.627 |
0 |
0 |
0 |
0.000 |
9 |
24 |
|
H |
22 |
8 |
22670 |
◊ |
F |
x,y,z |
1_555 |
24 |
9 |
22799 |
196.3 |
1.0 |
0.579 |
1 |
0 |
0 |
0.000 |
10 |
25 |
|
A |
32 |
12 |
23183 |
x |
A |
x-1,y,z |
1_455 |
22 |
7 |
23183 |
186.0 |
0.5 |
0.669 |
0 |
0 |
0 |
0.000 |
11 |
26 |
|
B |
14 |
5 |
22773 |
x |
B |
x-1,y,z |
1_455 |
9 |
4 |
22773 |
112.6 |
-1.0 |
0.201 |
0 |
0 |
0 |
0.000 |
12 |
27 |
|
D |
10 |
5 |
22645 |
◊ |
B |
x-1,y,z+1 |
1_456 |
11 |
4 |
22773 |
101.1 |
0.2 |
0.624 |
1 |
0 |
0 |
0.000 |
28 |
|
D |
10 |
4 |
22645 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
5 |
22773 |
99.9 |
0.2 |
0.621 |
0 |
0 |
0 |
0.000 |
29 |
|
H |
8 |
3 |
22670 |
◊ |
F |
x-1,y,z+1 |
1_456 |
10 |
5 |
22799 |
92.6 |
0.2 |
0.611 |
0 |
0 |
0 |
0.000 |
30 |
|
H |
11 |
6 |
22670 |
◊ |
F |
x-1,y,z |
1_455 |
8 |
3 |
22799 |
89.4 |
0.3 |
0.648 |
1 |
0 |
0 |
0.000 |
Average: |
95.7 |
0.2 |
0.626 |
1 |
0 |
0 |
0.000 |
13 |
31 |
|
F |
14 |
4 |
22799 |
◊ |
G |
x,y,z |
1_555 |
15 |
10 |
22655 |
97.6 |
1.1 |
0.783 |
0 |
0 |
0 |
0.000 |
14 |
32 |
|
E |
11 |
4 |
22708 |
◊ |
F |
x-1,y,z |
1_455 |
10 |
2 |
22799 |
96.5 |
0.4 |
0.694 |
0 |
3 |
0 |
0.000 |
15 |
33 |
|
H |
7 |
4 |
22670 |
◊ |
A |
x-1,y+1,z |
1_465 |
12 |
4 |
23183 |
94.1 |
-1.0 |
0.399 |
0 |
0 |
0 |
0.000 |
34 |
|
D |
8 |
3 |
22645 |
◊ |
E |
x-1,y-1,z+1 |
1_446 |
10 |
3 |
22708 |
93.3 |
-2.0 |
0.159 |
0 |
0 |
0 |
0.000 |
35 |
|
C |
9 |
3 |
22752 |
◊ |
F |
x-1,y,z+1 |
1_456 |
8 |
3 |
22799 |
89.6 |
-1.3 |
0.305 |
0 |
0 |
0 |
0.000 |
36 |
|
G |
9 |
3 |
22655 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
4 |
22773 |
64.3 |
-0.9 |
0.385 |
0 |
0 |
0 |
0.000 |
Average: |
85.3 |
-1.3 |
0.312 |
0 |
0 |
0 |
0.000 |
16 |
37 |
|
D |
6 |
3 |
22645 |
x |
D |
x-1,y,z |
1_455 |
6 |
3 |
22645 |
69.1 |
-0.1 |
0.562 |
0 |
0 |
0 |
0.000 |
17 |
38 |
|
G |
8 |
4 |
22655 |
x |
G |
x-1,y,z |
1_455 |
8 |
6 |
22655 |
48.9 |
0.6 |
0.633 |
0 |
0 |
0 |
0.000 |
18 |
39 |
|
[MG]E:1000 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
5 |
22708 |
40.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.051 |
40 |
|
[MG]G:1000 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
22655 |
39.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.051 |
41 |
|
[MG]A:1000 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
23183 |
38.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.051 |
42 |
|
[MG]C:1000 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
22752 |
38.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.051 |
Average: |
39.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.051 |
19 |
43 |
|
[MG]D:1000 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
22645 |
39.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.055 |
44 |
|
[MG]H:1000 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
7 |
5 |
22670 |
39.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.055 |
45 |
|
[MG]F:1000 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
22799 |
38.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.055 |
46 |
|
[MG]B:1000 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
22773 |
38.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
38.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.055 |
20 |
47 |
|
[MG]A:1000 |
1 |
1 |
98 |
f |
[ATP]A:900 |
x,y,z |
1_555 |
7 |
1 |
621 |
38.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.120 |
48 |
|
[MG]C:1000 |
1 |
1 |
98 |
f |
[ATP]C:900 |
x,y,z |
1_555 |
8 |
1 |
627 |
37.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.120 |
49 |
|
[MG]G:1000 |
1 |
1 |
98 |
f |
[ATP]G:900 |
x,y,z |
1_555 |
8 |
1 |
618 |
36.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.120 |
50 |
|
[MG]E:1000 |
1 |
1 |
98 |
f |
[ATP]E:900 |
x,y,z |
1_555 |
7 |
1 |
617 |
36.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.120 |
51 |
|
[MG]B:1000 |
1 |
1 |
98 |
f |
[ATP]B:900 |
x,y,z |
1_555 |
5 |
1 |
618 |
36.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.120 |
52 |
|
[MG]D:1000 |
1 |
1 |
98 |
f |
[ATP]D:900 |
x,y,z |
1_555 |
4 |
1 |
616 |
35.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.120 |
53 |
|
[MG]H:1000 |
1 |
1 |
98 |
f |
[ATP]H:900 |
x,y,z |
1_555 |
4 |
1 |
615 |
35.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.120 |
54 |
|
[MG]F:1000 |
1 |
1 |
98 |
f |
[ATP]F:900 |
x,y,z |
1_555 |
4 |
1 |
619 |
35.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
36.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.120 |
21 |
55 |
|
C |
2 |
2 |
22752 |
x |
C |
x-1,y,z |
1_455 |
6 |
3 |
22752 |
22.5 |
-0.6 |
0.326 |
0 |
0 |
0 |
0.000 |
22 |
56 |
|
B |
2 |
1 |
22773 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
22655 |
19.9 |
-0.5 |
0.277 |
0 |
0 |
0 |
0.000 |
23 |
57 |
|
C |
7 |
3 |
22752 |
◊ |
E |
x-1,y-1,z+1 |
1_446 |
1 |
1 |
22708 |
16.6 |
-0.3 |
0.441 |
0 |
0 |
0 |
0.000 |
58 |
|
C |
1 |
1 |
22752 |
◊ |
E |
x-1,y,z+1 |
1_456 |
6 |
2 |
22708 |
12.0 |
-0.2 |
0.530 |
0 |
0 |
0 |
0.000 |
59 |
|
G |
3 |
2 |
22655 |
◊ |
A |
x-1,y+1,z |
1_465 |
1 |
1 |
23183 |
9.1 |
-0.3 |
0.380 |
0 |
0 |
0 |
0.000 |
Average: |
12.6 |
-0.2 |
0.450 |
0 |
0 |
0 |
0.000 |
24 |
60 |
|
H |
1 |
1 |
22670 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22752 |
5.5 |
-0.2 |
0.381 |
0 |
0 |
0 |
0.000 |
61 |
|
A |
2 |
1 |
23183 |
◊ |
F |
x,y-1,z |
1_545 |
1 |
1 |
22799 |
5.4 |
-0.2 |
0.379 |
0 |
0 |
0 |
0.000 |
62 |
|
D |
1 |
1 |
22645 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
22655 |
4.8 |
-0.2 |
0.396 |
0 |
0 |
0 |
0.000 |
63 |
|
B |
1 |
1 |
22773 |
◊ |
E |
x,y-1,z |
1_545 |
2 |
1 |
22708 |
2.9 |
-0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
Average: |
4.7 |
-0.1 |
0.404 |
0 |
0 |
0 |
0.000 |
25 |
64 |
|
G |
1 |
1 |
22655 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
22670 |
5.4 |
0.1 |
0.521 |
0 |
0 |
0 |
0.000 |
26 |
65 |
|
H |
2 |
1 |
22670 |
◊ |
D |
x-1,y+1,z |
1_465 |
1 |
1 |
22645 |
2.8 |
0.0 |
0.653 |
0 |
0 |
0 |
0.000 |
27 |
66 |
|
A |
1 |
1 |
23183 |
◊ |
E |
x,y-1,z |
1_545 |
1 |
1 |
22708 |
1.6 |
0.0 |
0.718 |
0 |
0 |
0 |
0.000 |
28 |
67 |
|
G |
1 |
1 |
22655 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23183 |
1.4 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
|