| ## |
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 |
|
C |
424 |
93 |
23712 |
◊ |
B |
x,y,z |
1_555 |
417 |
93 |
23702 |
4146.2 |
-59.2 |
0.009 |
34 |
4 |
0 |
0.927 |
2 |
|
E |
408 |
93 |
23704 |
◊ |
A |
x,y,z |
1_555 |
413 |
93 |
23686 |
4098.5 |
-59.4 |
0.007 |
29 |
1 |
0 |
0.927 |
| Average: |
4122.4 |
-59.3 |
0.008 |
32 |
3 |
0 |
0.927 |
| 2 |
3 |
|
E |
131 |
37 |
23704 |
◊ |
G |
x,y,z |
1_555 |
150 |
44 |
15808 |
1357.9 |
-3.8 |
0.633 |
20 |
7 |
0 |
0.496 |
4 |
|
B |
130 |
37 |
23702 |
◊ |
H |
x,y,z |
1_555 |
146 |
44 |
15831 |
1350.9 |
-4.0 |
0.625 |
20 |
7 |
0 |
0.496 |
5 |
|
C |
128 |
37 |
23712 |
◊ |
F |
x,y,z |
1_555 |
150 |
44 |
15830 |
1350.8 |
-3.8 |
0.639 |
20 |
7 |
0 |
0.496 |
6 |
|
A |
130 |
37 |
23686 |
◊ |
D |
x,y,z |
1_555 |
147 |
45 |
15809 |
1345.2 |
-3.5 |
0.642 |
19 |
7 |
0 |
0.496 |
| Average: |
1351.2 |
-3.8 |
0.635 |
20 |
7 |
0 |
0.496 |
| 3 |
7 |
|
C |
93 |
26 |
23712 |
◊ |
A |
x,y,z |
1_555 |
91 |
25 |
23686 |
839.9 |
-6.1 |
0.487 |
6 |
4 |
0 |
0.000 |
| 4 |
8 |
|
G |
62 |
17 |
15808 |
◊ |
E |
-x,y-1/2,-z-1 |
2_544 |
65 |
19 |
23704 |
537.6 |
0.6 |
0.778 |
5 |
4 |
0 |
0.000 |
9 |
|
A |
63 |
19 |
23686 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
62 |
17 |
15809 |
535.8 |
-0.0 |
0.734 |
6 |
2 |
0 |
0.000 |
10 |
|
H |
60 |
16 |
15831 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
63 |
19 |
23712 |
522.4 |
0.3 |
0.755 |
5 |
3 |
0 |
0.000 |
11 |
|
B |
60 |
19 |
23702 |
◊ |
F |
-x-1,y-1/2,-z |
2_445 |
60 |
16 |
15830 |
502.0 |
0.8 |
0.785 |
4 |
3 |
0 |
0.000 |
| Average: |
524.4 |
0.4 |
0.763 |
5 |
3 |
0 |
0.000 |
| 5 |
12 |
|
[ATP]H:402 |
30 |
1 |
640 |
f |
H |
x,y,z |
1_555 |
67 |
25 |
15831 |
469.5 |
-4.8 |
0.451 |
12 |
0 |
0 |
0.384 |
13 |
|
[ATP]F:403 |
30 |
1 |
627 |
f |
F |
x,y,z |
1_555 |
65 |
25 |
15830 |
467.8 |
-4.5 |
0.452 |
15 |
0 |
0 |
0.384 |
14 |
|
[ATP]D:402 |
31 |
1 |
632 |
f |
D |
x,y,z |
1_555 |
64 |
24 |
15809 |
462.2 |
-4.1 |
0.469 |
11 |
0 |
0 |
0.384 |
15 |
|
[ATP]G:402 |
31 |
1 |
630 |
f |
G |
x,y,z |
1_555 |
65 |
24 |
15808 |
460.7 |
-3.9 |
0.457 |
13 |
0 |
0 |
0.384 |
| Average: |
465.0 |
-4.3 |
0.457 |
13 |
0 |
0 |
0.384 |
| 6 |
16 |
|
D |
34 |
13 |
15809 |
◊ |
F |
x,y,z-1 |
1_554 |
39 |
14 |
15830 |
365.7 |
-2.0 |
0.332 |
3 |
1 |
0 |
0.000 |
| 7 |
17 |
|
A |
32 |
7 |
23686 |
◊ |
G |
x,y,z |
1_555 |
35 |
13 |
15808 |
292.4 |
2.1 |
0.839 |
5 |
6 |
0 |
0.018 |
18 |
|
E |
31 |
7 |
23704 |
◊ |
D |
x,y,z |
1_555 |
36 |
14 |
15809 |
286.3 |
1.7 |
0.811 |
5 |
5 |
0 |
0.018 |
19 |
|
B |
29 |
7 |
23702 |
◊ |
F |
x,y,z |
1_555 |
33 |
13 |
15830 |
270.0 |
2.1 |
0.841 |
4 |
7 |
0 |
0.018 |
20 |
|
C |
28 |
7 |
23712 |
◊ |
H |
x,y,z |
1_555 |
34 |
13 |
15831 |
267.2 |
2.2 |
0.842 |
4 |
6 |
0 |
0.018 |
| Average: |
279.0 |
2.0 |
0.833 |
5 |
6 |
0 |
0.018 |
| 8 |
21 |
|
E |
26 |
11 |
23704 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
23702 |
196.7 |
4.3 |
0.931 |
1 |
0 |
0 |
0.000 |
| 9 |
22 |
|
G |
11 |
4 |
15808 |
◊ |
H |
x,y,z-1 |
1_554 |
15 |
5 |
15831 |
138.0 |
-1.0 |
0.318 |
0 |
0 |
0 |
0.000 |
| 10 |
23 |
|
[ACT]H:401 |
4 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
14 |
7 |
15831 |
95.2 |
0.4 |
0.801 |
3 |
0 |
0 |
0.000 |
| 11 |
24 |
|
[ACT]F:402 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
13 |
7 |
15830 |
94.6 |
0.4 |
0.754 |
3 |
0 |
0 |
0.000 |
| 12 |
25 |
|
[ACT]D:401 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
15809 |
93.6 |
0.3 |
0.750 |
4 |
0 |
0 |
0.000 |
| 13 |
26 |
|
[ACT]G:401 |
4 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
13 |
7 |
15808 |
93.4 |
0.3 |
0.799 |
4 |
0 |
0 |
0.000 |
| 14 |
27 |
|
[ACT]B:1001 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
23702 |
80.5 |
-0.6 |
0.643 |
0 |
0 |
0 |
0.023 |
| 15 |
28 |
|
[ACT]A:1002 |
4 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
12 |
5 |
15808 |
75.9 |
-0.2 |
0.715 |
1 |
0 |
0 |
0.023 |
| 16 |
29 |
|
[ACT]A:1003 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
23704 |
74.7 |
-0.6 |
0.637 |
1 |
0 |
0 |
0.037 |
| 17 |
30 |
|
[ACT]C:1001 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
23712 |
74.6 |
-0.2 |
0.709 |
0 |
0 |
0 |
0.008 |
| 18 |
31 |
|
[ACT]A:1001 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
23686 |
74.4 |
-0.8 |
0.629 |
0 |
0 |
0 |
0.024 |
| 19 |
32 |
|
[ACT]E:1001 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
15809 |
74.3 |
-0.3 |
0.706 |
0 |
0 |
0 |
0.002 |
| 20 |
33 |
|
[ACT]C:1002 |
3 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
11 |
5 |
15831 |
71.3 |
-0.1 |
0.710 |
1 |
0 |
0 |
0.021 |
| 21 |
34 |
|
[ACT]F:401 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
14 |
5 |
15830 |
69.9 |
-0.0 |
0.724 |
1 |
0 |
0 |
0.015 |
| 22 |
35 |
|
H |
10 |
4 |
15831 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
5 |
1 |
23686 |
68.4 |
1.2 |
0.767 |
1 |
0 |
0 |
0.000 |
| 23 |
36 |
|
[ACT]C:1002 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
23712 |
60.0 |
0.6 |
0.811 |
1 |
1 |
0 |
0.000 |
| 24 |
37 |
|
[ACT]A:1003 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
23686 |
57.1 |
-0.3 |
0.681 |
1 |
0 |
0 |
0.010 |
| 25 |
38 |
|
[ACT]F:401 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
23702 |
52.6 |
0.6 |
0.762 |
1 |
0 |
0 |
0.000 |
| 26 |
39 |
|
[ACT]E:1001 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
23704 |
51.7 |
0.8 |
0.832 |
1 |
2 |
0 |
0.000 |
| 27 |
40 |
|
[ACT]A:1001 |
3 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
23704 |
50.2 |
-0.1 |
0.686 |
1 |
0 |
0 |
0.006 |
| 28 |
41 |
|
B |
11 |
3 |
23702 |
f |
[ACT]F:402 |
-x-1,y-1/2,-z |
2_445 |
4 |
1 |
184 |
50.1 |
-1.5 |
0.425 |
0 |
0 |
0 |
0.054 |
| 29 |
42 |
|
[ACT]C:1001 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
23702 |
48.3 |
-0.1 |
0.713 |
1 |
0 |
0 |
0.004 |
| 30 |
43 |
|
A |
10 |
3 |
23686 |
f |
[ACT]D:401 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
183 |
47.5 |
-1.5 |
0.407 |
0 |
0 |
0 |
0.044 |
| 31 |
44 |
|
[ACT]G:401 |
4 |
1 |
183 |
f |
E |
-x,y-1/2,-z-1 |
2_544 |
10 |
3 |
23704 |
47.4 |
-1.6 |
0.401 |
0 |
0 |
0 |
0.057 |
| 32 |
45 |
|
[ACT]H:401 |
4 |
1 |
183 |
f |
C |
-x,y-1/2,-z |
2_545 |
8 |
3 |
23712 |
46.6 |
-1.7 |
0.378 |
0 |
0 |
0 |
0.059 |
| 33 |
46 |
|
[ACT]B:1001 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
23712 |
45.7 |
0.3 |
0.737 |
1 |
0 |
0 |
0.002 |
| 34 |
47 |
|
[ACT]A:1002 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
23686 |
45.0 |
1.1 |
0.853 |
1 |
0 |
0 |
0.000 |
| 35 |
48 |
|
B |
4 |
2 |
23702 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
8 |
4 |
23712 |
44.5 |
1.6 |
0.857 |
0 |
0 |
0 |
0.000 |
49 |
|
E |
9 |
4 |
23704 |
x |
E |
-x,y-1/2,-z-1 |
2_544 |
4 |
2 |
23704 |
43.6 |
1.8 |
0.870 |
0 |
0 |
0 |
0.000 |
50 |
|
A |
3 |
1 |
23686 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
2 |
23686 |
39.8 |
1.5 |
0.871 |
0 |
0 |
0 |
0.000 |
51 |
|
B |
6 |
3 |
23702 |
x |
C |
-x,y-1/2,-z |
2_545 |
3 |
1 |
23712 |
37.2 |
1.5 |
0.860 |
0 |
0 |
0 |
0.000 |
| Average: |
41.3 |
1.6 |
0.864 |
0 |
0 |
0 |
0.000 |
| 36 |
52 |
|
[ACT]A:1002 |
3 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
23704 |
43.5 |
-1.0 |
0.431 |
0 |
0 |
0 |
0.036 |
| 37 |
53 |
|
[ACT]F:401 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
23712 |
41.6 |
-1.2 |
0.310 |
0 |
0 |
0 |
0.041 |
| 38 |
54 |
|
[ACT]E:1001 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
23686 |
39.1 |
-1.1 |
0.384 |
0 |
0 |
0 |
0.032 |
| 39 |
55 |
|
E |
3 |
1 |
23704 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
23712 |
36.3 |
1.4 |
0.863 |
1 |
2 |
0 |
0.000 |
| 40 |
56 |
|
[ACT]C:1002 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
23702 |
35.4 |
-0.9 |
0.424 |
0 |
0 |
0 |
0.030 |
| 41 |
57 |
|
B |
6 |
2 |
23702 |
◊ |
G |
-x,y-1/2,-z-1 |
2_544 |
5 |
3 |
15808 |
34.2 |
-0.2 |
0.475 |
0 |
0 |
0 |
0.000 |
| 42 |
58 |
|
[ACT]C:1001 |
1 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
15830 |
33.2 |
-0.7 |
0.358 |
0 |
0 |
0 |
0.025 |
| 43 |
59 |
|
[ACT]A:1001 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
5 |
4 |
15809 |
27.2 |
-0.5 |
0.600 |
0 |
0 |
0 |
0.004 |
| 44 |
60 |
|
[ACT]B:1001 |
3 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
5 |
4 |
15831 |
21.7 |
-0.4 |
0.604 |
0 |
0 |
0 |
0.015 |
| 45 |
61 |
|
[ACT]A:1003 |
2 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
15808 |
21.5 |
-0.5 |
0.477 |
0 |
0 |
0 |
0.018 |
| 46 |
62 |
|
C |
2 |
1 |
23712 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15809 |
14.9 |
0.5 |
0.833 |
0 |
0 |
0 |
0.000 |
| 47 |
63 |
|
H |
2 |
2 |
15831 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
15830 |
14.2 |
0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
64 |
|
G |
2 |
2 |
15808 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
15809 |
6.7 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
| Average: |
10.4 |
0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
|