## |
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 |
373 |
107 |
23215 |
◊ |
A |
x,y,z |
1_555 |
360 |
88 |
24837 |
3378.6 |
-14.9 |
0.191 |
45 |
22 |
0 |
0.549 |
2 |
|
F |
367 |
87 |
24671 |
◊ |
A |
x,y,z |
1_555 |
369 |
100 |
24837 |
3319.0 |
-12.4 |
0.406 |
41 |
26 |
0 |
0.549 |
3 |
|
D |
357 |
99 |
22987 |
◊ |
C |
x,y,z |
1_555 |
347 |
82 |
23005 |
3292.3 |
-12.9 |
0.294 |
48 |
26 |
0 |
0.549 |
4 |
|
E |
362 |
97 |
23752 |
◊ |
D |
x,y,z |
1_555 |
351 |
88 |
22987 |
3278.1 |
-17.0 |
0.177 |
44 |
21 |
0 |
0.549 |
5 |
|
C |
356 |
99 |
23005 |
◊ |
B |
x,y,z |
1_555 |
355 |
86 |
23215 |
3271.4 |
-16.7 |
0.149 |
45 |
21 |
0 |
0.549 |
6 |
|
F |
345 |
98 |
24671 |
◊ |
E |
x,y,z |
1_555 |
337 |
85 |
23752 |
3143.1 |
-19.5 |
0.134 |
42 |
23 |
0 |
0.549 |
Average: |
3280.4 |
-15.6 |
0.225 |
44 |
23 |
0 |
0.549 |
2 |
7 |
|
C |
84 |
25 |
23005 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
93 |
26 |
24671 |
782.7 |
0.8 |
0.535 |
6 |
6 |
0 |
0.000 |
3 |
8 |
|
D |
66 |
16 |
22987 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
59 |
15 |
24837 |
541.9 |
-2.5 |
0.356 |
6 |
3 |
0 |
0.000 |
4 |
9 |
|
D |
56 |
14 |
22987 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
64 |
17 |
24671 |
515.0 |
0.3 |
0.685 |
9 |
5 |
0 |
0.000 |
5 |
10 |
|
B |
48 |
12 |
23215 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
47 |
15 |
24837 |
438.9 |
1.4 |
0.702 |
5 |
4 |
0 |
0.000 |
6 |
11 |
|
[ATP]B:901 |
29 |
1 |
637 |
f |
B |
x,y,z |
1_555 |
47 |
16 |
23215 |
311.3 |
-4.8 |
0.462 |
9 |
0 |
0 |
0.134 |
12 |
|
[ATP]C:901 |
29 |
1 |
638 |
f |
C |
x,y,z |
1_555 |
49 |
17 |
23005 |
310.1 |
-5.5 |
0.382 |
13 |
0 |
0 |
0.134 |
13 |
|
[ATP]E:901 |
29 |
1 |
638 |
f |
E |
x,y,z |
1_555 |
49 |
16 |
23752 |
308.3 |
-4.5 |
0.459 |
11 |
0 |
0 |
0.134 |
14 |
|
[ATP]D:901 |
29 |
1 |
629 |
f |
D |
x,y,z |
1_555 |
49 |
16 |
22987 |
306.4 |
-4.2 |
0.464 |
10 |
0 |
0 |
0.134 |
15 |
|
[ATP]F:901 |
29 |
1 |
635 |
f |
F |
x,y,z |
1_555 |
47 |
16 |
24671 |
306.0 |
-4.4 |
0.470 |
12 |
0 |
0 |
0.134 |
16 |
|
[ATP]A:901 |
29 |
1 |
632 |
f |
A |
x,y,z |
1_555 |
44 |
16 |
24837 |
302.5 |
-4.6 |
0.460 |
9 |
0 |
0 |
0.134 |
Average: |
307.5 |
-4.7 |
0.449 |
11 |
0 |
0 |
0.134 |
7 |
17 |
|
[ATP]B:903 |
29 |
1 |
647 |
f |
B |
x,y,z |
1_555 |
43 |
15 |
23215 |
310.6 |
-3.2 |
0.553 |
13 |
0 |
0 |
0.127 |
18 |
|
[ATP]A:903 |
29 |
1 |
644 |
f |
A |
x,y,z |
1_555 |
42 |
15 |
24837 |
310.6 |
-3.4 |
0.520 |
12 |
0 |
0 |
0.127 |
19 |
|
[ATP]D:903 |
29 |
1 |
643 |
f |
D |
x,y,z |
1_555 |
42 |
14 |
22987 |
308.1 |
-3.5 |
0.500 |
13 |
0 |
0 |
0.127 |
20 |
|
[ATP]F:903 |
28 |
1 |
635 |
f |
F |
x,y,z |
1_555 |
45 |
14 |
24671 |
307.3 |
-3.4 |
0.512 |
11 |
0 |
0 |
0.127 |
21 |
|
[ATP]C:903 |
28 |
1 |
643 |
f |
C |
x,y,z |
1_555 |
44 |
15 |
23005 |
304.6 |
-3.2 |
0.522 |
12 |
0 |
0 |
0.127 |
22 |
|
[ATP]E:903 |
29 |
1 |
639 |
f |
E |
x,y,z |
1_555 |
42 |
15 |
23752 |
304.2 |
-3.7 |
0.500 |
14 |
0 |
0 |
0.127 |
Average: |
307.6 |
-3.4 |
0.518 |
13 |
0 |
0 |
0.127 |
8 |
23 |
|
[ATP]D:903 |
23 |
1 |
643 |
◊ |
E |
x,y,z |
1_555 |
34 |
11 |
23752 |
235.9 |
-0.2 |
0.554 |
5 |
0 |
0 |
0.038 |
24 |
|
[ATP]C:903 |
22 |
1 |
643 |
◊ |
D |
x,y,z |
1_555 |
31 |
10 |
22987 |
235.8 |
-0.4 |
0.557 |
5 |
0 |
0 |
0.038 |
25 |
|
[ATP]B:903 |
22 |
1 |
647 |
◊ |
C |
x,y,z |
1_555 |
32 |
10 |
23005 |
231.2 |
-0.5 |
0.598 |
6 |
0 |
0 |
0.038 |
26 |
|
[ATP]A:903 |
22 |
1 |
644 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
23215 |
231.0 |
-0.1 |
0.609 |
7 |
0 |
0 |
0.038 |
27 |
|
[ATP]F:903 |
22 |
1 |
635 |
◊ |
A |
x,y,z |
1_555 |
35 |
10 |
24837 |
230.5 |
-0.4 |
0.556 |
5 |
0 |
0 |
0.038 |
28 |
|
[ATP]E:903 |
21 |
1 |
639 |
◊ |
F |
x,y,z |
1_555 |
32 |
11 |
24671 |
230.2 |
-0.1 |
0.576 |
5 |
0 |
0 |
0.038 |
Average: |
232.4 |
-0.3 |
0.575 |
6 |
0 |
0 |
0.038 |
9 |
29 |
|
[ATP]A:901 |
22 |
1 |
632 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
23215 |
213.3 |
2.2 |
0.819 |
7 |
0 |
0 |
0.016 |
30 |
|
[ATP]B:901 |
22 |
1 |
637 |
◊ |
C |
x,y,z |
1_555 |
31 |
10 |
23005 |
212.8 |
2.2 |
0.822 |
7 |
0 |
0 |
0.016 |
31 |
|
[ATP]E:901 |
22 |
1 |
638 |
◊ |
F |
x,y,z |
1_555 |
32 |
11 |
24671 |
211.9 |
2.2 |
0.810 |
6 |
0 |
0 |
0.016 |
32 |
|
[ATP]D:901 |
21 |
1 |
629 |
◊ |
E |
x,y,z |
1_555 |
30 |
10 |
23752 |
211.1 |
2.0 |
0.806 |
9 |
0 |
0 |
0.016 |
33 |
|
[ATP]F:901 |
22 |
1 |
635 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
24837 |
210.9 |
2.0 |
0.812 |
8 |
0 |
0 |
0.016 |
34 |
|
[ATP]C:901 |
21 |
1 |
638 |
◊ |
D |
x,y,z |
1_555 |
31 |
11 |
22987 |
210.0 |
2.1 |
0.810 |
7 |
0 |
0 |
0.016 |
Average: |
211.7 |
2.1 |
0.813 |
7 |
0 |
0 |
0.016 |
10 |
35 |
|
C |
19 |
6 |
23005 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
19 |
7 |
24837 |
148.9 |
1.8 |
0.772 |
0 |
0 |
0 |
0.000 |
11 |
36 |
|
D |
16 |
5 |
22987 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
5 |
23752 |
102.8 |
1.8 |
0.823 |
2 |
0 |
0 |
0.000 |
12 |
37 |
|
C |
11 |
6 |
23005 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
16 |
5 |
24837 |
90.9 |
0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
13 |
38 |
|
E |
6 |
2 |
23752 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
8 |
3 |
23215 |
74.6 |
-1.0 |
0.304 |
0 |
0 |
0 |
0.000 |
14 |
39 |
|
C |
8 |
2 |
23005 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
8 |
2 |
23215 |
73.1 |
0.7 |
0.719 |
0 |
0 |
0 |
0.000 |
15 |
40 |
|
E |
8 |
2 |
23752 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
7 |
2 |
24837 |
59.0 |
1.2 |
0.769 |
1 |
0 |
0 |
0.000 |
16 |
41 |
|
B |
6 |
2 |
23215 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
24671 |
57.0 |
-0.7 |
0.151 |
0 |
0 |
0 |
0.000 |
17 |
42 |
|
D |
5 |
2 |
22987 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
24671 |
48.8 |
0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
18 |
43 |
|
E |
3 |
1 |
23752 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
4 |
24671 |
48.4 |
-0.6 |
0.203 |
1 |
0 |
0 |
0.000 |
19 |
44 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
23215 |
41.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.023 |
20 |
45 |
|
[MG]E:805 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
23752 |
38.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.055 |
46 |
|
[MG]F:806 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
24671 |
38.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.055 |
47 |
|
[MG]A:801 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
24837 |
36.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.055 |
48 |
|
[MG]D:804 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
22987 |
36.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.055 |
49 |
|
[MG]C:803 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
23005 |
34.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
37.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.055 |
21 |
50 |
|
E |
7 |
2 |
23752 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
4 |
2 |
23215 |
38.0 |
-0.2 |
0.532 |
0 |
0 |
0 |
0.000 |
22 |
51 |
|
[ATP]C:901 |
9 |
1 |
638 |
f |
[MG]C:803 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.045 |
52 |
|
[ATP]D:901 |
9 |
1 |
629 |
f |
[MG]D:804 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.045 |
53 |
|
[ATP]E:901 |
8 |
1 |
638 |
f |
[MG]E:805 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.045 |
54 |
|
[ATP]A:901 |
8 |
1 |
632 |
f |
[MG]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.045 |
55 |
|
[ATP]F:901 |
8 |
1 |
635 |
f |
[MG]F:806 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
29.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.045 |
23 |
56 |
|
[ATP]B:901 |
4 |
1 |
637 |
f |
[MG]B:802 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.010 |
24 |
57 |
|
C |
3 |
1 |
23005 |
◊ |
E |
-x+3/2,-y+1,z-1/2 |
2_664 |
5 |
3 |
23752 |
19.7 |
0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
25 |
58 |
|
B |
5 |
1 |
23215 |
◊ |
F |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
24671 |
19.3 |
0.4 |
0.787 |
0 |
0 |
0 |
0.000 |
26 |
59 |
|
D |
3 |
1 |
22987 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
24671 |
17.5 |
-0.2 |
0.465 |
0 |
0 |
0 |
0.000 |
27 |
60 |
|
[MG]A:801 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
23215 |
17.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
61 |
|
[MG]F:806 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
24837 |
16.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
62 |
|
[MG]C:803 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
22987 |
15.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
63 |
|
[MG]E:805 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
24671 |
13.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
64 |
|
[MG]D:804 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
23752 |
13.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
15.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
28 |
65 |
|
[MG]B:802 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
23005 |
12.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.003 |
29 |
66 |
|
E |
2 |
1 |
23752 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
2 |
23005 |
8.8 |
-0.2 |
0.395 |
0 |
0 |
0 |
0.000 |
30 |
67 |
|
[ATP]C:901 |
1 |
1 |
638 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
24671 |
1.9 |
0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
|