## |
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 |
294 |
78 |
22235 |
◊ |
A |
x,y,z |
1_555 |
275 |
73 |
19347 |
2688.3 |
-8.4 |
0.674 |
37 |
13 |
0 |
0.477 |
2 |
|
D |
293 |
78 |
21914 |
◊ |
B |
x,y,z |
1_555 |
286 |
72 |
19715 |
2576.8 |
-12.0 |
0.607 |
39 |
10 |
0 |
0.477 |
Average: |
2632.5 |
-10.2 |
0.641 |
38 |
12 |
0 |
0.477 |
2 |
3 |
|
F |
266 |
66 |
13683 |
◊ |
D |
x,y,z |
1_555 |
230 |
59 |
21914 |
2387.9 |
-23.4 |
0.202 |
25 |
12 |
0 |
0.215 |
4 |
|
E |
268 |
64 |
13128 |
◊ |
C |
x,y,z |
1_555 |
234 |
64 |
22235 |
2376.9 |
-19.7 |
0.259 |
27 |
14 |
0 |
0.215 |
Average: |
2382.4 |
-21.6 |
0.231 |
26 |
13 |
0 |
0.215 |
3 |
5 |
|
C |
64 |
16 |
22235 |
◊ |
F |
x-1,y,z |
1_455 |
57 |
15 |
13683 |
497.2 |
-2.2 |
0.577 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
61 |
17 |
19715 |
x |
B |
-x+2,y-1/2,-z |
2_745 |
39 |
11 |
19715 |
495.4 |
-1.0 |
0.617 |
5 |
2 |
0 |
0.000 |
7 |
|
A |
58 |
18 |
19347 |
x |
A |
-x+1,y-1/2,-z-1 |
2_644 |
43 |
11 |
19347 |
461.2 |
0.3 |
0.703 |
5 |
3 |
0 |
0.000 |
Average: |
478.3 |
-0.4 |
0.660 |
5 |
3 |
0 |
0.000 |
5 |
8 |
|
[ATP]D:501 |
31 |
1 |
615 |
f |
D |
x,y,z |
1_555 |
71 |
24 |
21914 |
450.4 |
-2.8 |
0.570 |
11 |
0 |
0 |
0.134 |
9 |
|
[ATP]C:501 |
31 |
1 |
614 |
f |
C |
x,y,z |
1_555 |
73 |
25 |
22235 |
443.3 |
-2.4 |
0.581 |
13 |
0 |
0 |
0.134 |
Average: |
446.9 |
-2.6 |
0.576 |
12 |
0 |
0 |
0.134 |
6 |
10 |
|
E |
45 |
10 |
13128 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
19347 |
436.5 |
2.0 |
0.821 |
8 |
3 |
0 |
0.010 |
11 |
|
F |
45 |
10 |
13683 |
◊ |
B |
x,y,z |
1_555 |
50 |
14 |
19715 |
418.2 |
0.1 |
0.674 |
5 |
1 |
0 |
0.010 |
Average: |
427.3 |
1.1 |
0.747 |
7 |
2 |
0 |
0.010 |
7 |
12 |
|
[ATP]A:900 |
31 |
1 |
625 |
f |
A |
x,y,z |
1_555 |
58 |
23 |
19347 |
426.7 |
-3.1 |
0.508 |
9 |
0 |
0 |
0.128 |
13 |
|
[ATP]B:901 |
31 |
1 |
612 |
f |
B |
x,y,z |
1_555 |
57 |
24 |
19715 |
416.1 |
-2.5 |
0.528 |
13 |
0 |
0 |
0.128 |
Average: |
421.4 |
-2.8 |
0.518 |
11 |
0 |
0 |
0.128 |
8 |
14 |
|
[ATP]E:301 |
31 |
1 |
618 |
f |
E |
x,y,z |
1_555 |
60 |
20 |
13128 |
411.9 |
-1.9 |
0.617 |
12 |
0 |
0 |
0.044 |
15 |
|
[ATP]F:301 |
30 |
1 |
623 |
f |
F |
x,y,z |
1_555 |
62 |
20 |
13683 |
398.4 |
-2.9 |
0.565 |
10 |
0 |
0 |
0.044 |
Average: |
405.2 |
-2.4 |
0.591 |
11 |
0 |
0 |
0.044 |
9 |
16 |
|
A |
20 |
8 |
19347 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
4 |
21914 |
186.2 |
0.4 |
0.694 |
2 |
6 |
0 |
0.000 |
10 |
17 |
|
F |
24 |
6 |
13683 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
22235 |
176.3 |
-3.7 |
0.144 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
B |
12 |
5 |
19715 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
18 |
4 |
22235 |
166.5 |
-0.8 |
0.526 |
2 |
0 |
0 |
0.000 |
12 |
19 |
|
D |
20 |
8 |
21914 |
◊ |
C |
x,y,z |
1_555 |
20 |
9 |
22235 |
166.4 |
1.4 |
0.801 |
3 |
3 |
0 |
0.000 |
13 |
20 |
|
A |
20 |
7 |
19347 |
◊ |
E |
x,y-1,z |
1_545 |
17 |
8 |
13128 |
157.3 |
2.9 |
0.778 |
2 |
0 |
0 |
0.000 |
21 |
|
B |
14 |
7 |
19715 |
◊ |
F |
x,y-1,z |
1_545 |
22 |
8 |
13683 |
118.5 |
1.3 |
0.775 |
0 |
0 |
0 |
0.000 |
Average: |
137.9 |
2.1 |
0.776 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
D |
17 |
4 |
21914 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
16 |
5 |
22235 |
143.9 |
-1.5 |
0.438 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
C |
13 |
6 |
22235 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
7 |
21914 |
141.8 |
0.2 |
0.663 |
1 |
0 |
0 |
0.000 |
16 |
24 |
|
D |
14 |
7 |
21914 |
◊ |
F |
x,y-1,z |
1_545 |
17 |
4 |
13683 |
125.7 |
-1.3 |
0.473 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
12 |
6 |
22235 |
◊ |
E |
x,y-1,z |
1_545 |
15 |
4 |
13128 |
112.2 |
-1.2 |
0.453 |
0 |
0 |
0 |
0.000 |
Average: |
119.0 |
-1.2 |
0.463 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
B |
9 |
2 |
19715 |
◊ |
F |
-x+2,y-1/2,-z |
2_745 |
14 |
3 |
13683 |
115.2 |
-2.8 |
0.161 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
9 |
2 |
19347 |
◊ |
E |
-x+1,y-1/2,-z-1 |
2_644 |
12 |
3 |
13128 |
101.9 |
-2.2 |
0.207 |
0 |
0 |
0 |
0.000 |
Average: |
108.5 |
-2.5 |
0.184 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[K]E:302 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
13 |
8 |
13128 |
103.4 |
-100.8 |
0.000 |
0 |
0 |
0 |
0.605 |
29 |
|
[K]F:302 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
8 |
6 |
13683 |
97.0 |
-93.5 |
0.000 |
0 |
0 |
0 |
0.605 |
Average: |
100.2 |
-97.2 |
0.000 |
0 |
0 |
0 |
0.605 |
19 |
30 |
|
[ATP]B:901 |
10 |
1 |
612 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
21914 |
80.5 |
0.5 |
0.688 |
2 |
0 |
0 |
0.007 |
31 |
|
[ATP]A:900 |
8 |
1 |
625 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
22235 |
68.0 |
0.4 |
0.675 |
2 |
0 |
0 |
0.007 |
Average: |
74.3 |
0.5 |
0.681 |
2 |
0 |
0 |
0.007 |
20 |
32 |
|
D |
12 |
5 |
21914 |
◊ |
E |
-x+2,y-1/2,-z |
2_745 |
8 |
2 |
13128 |
78.3 |
0.5 |
0.672 |
1 |
0 |
0 |
0.000 |
21 |
33 |
|
B |
8 |
3 |
19715 |
◊ |
D |
-x+3,y-1/2,-z |
2_845 |
9 |
4 |
21914 |
62.3 |
-0.9 |
0.370 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
[MG]B:902 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
19715 |
40.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.091 |
35 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19347 |
38.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
39.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.091 |
23 |
36 |
|
[ATP]D:501 |
6 |
1 |
615 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
13683 |
37.6 |
0.5 |
0.689 |
1 |
0 |
0 |
0.000 |
37 |
|
[ATP]C:501 |
5 |
1 |
614 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
13128 |
33.4 |
0.4 |
0.675 |
0 |
0 |
0 |
0.000 |
Average: |
35.5 |
0.5 |
0.682 |
1 |
0 |
0 |
0.000 |
24 |
38 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
22235 |
37.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.066 |
39 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
21914 |
35.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.066 |
Average: |
36.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.066 |
25 |
40 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[ATP]C:501 |
x,y,z |
1_555 |
6 |
1 |
614 |
31.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.137 |
41 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
[ATP]D:501 |
x,y,z |
1_555 |
6 |
1 |
615 |
30.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.137 |
42 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
[ATP]A:900 |
x,y,z |
1_555 |
4 |
1 |
625 |
30.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.137 |
43 |
|
[MG]B:902 |
1 |
1 |
98 |
f |
[ATP]B:901 |
x,y,z |
1_555 |
6 |
1 |
612 |
29.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
30.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.137 |
26 |
44 |
|
[K]F:302 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
21914 |
27.0 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.087 |
45 |
|
[K]E:302 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
22235 |
14.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
20.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.087 |
27 |
46 |
|
[MG]D:502 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
13683 |
20.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.011 |
47 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
13128 |
18.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
19.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.011 |
28 |
48 |
|
B |
4 |
3 |
19715 |
◊ |
E |
x,y-1,z |
1_545 |
4 |
2 |
13128 |
17.7 |
-0.5 |
0.409 |
0 |
0 |
0 |
0.000 |
29 |
49 |
|
[MG]B:902 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
21914 |
11.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
50 |
|
[MG]A:901 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
22235 |
10.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
10.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
|