## |
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 |
385 |
106 |
23002 |
◊ |
A |
x,y,z |
1_555 |
369 |
93 |
25074 |
3413.0 |
-15.5 |
0.160 |
45 |
25 |
0 |
0.460 |
2 |
|
F |
368 |
89 |
24841 |
◊ |
A |
x,y,z |
1_555 |
378 |
102 |
25074 |
3410.4 |
-17.5 |
0.210 |
42 |
27 |
0 |
0.460 |
3 |
|
E |
373 |
102 |
23617 |
◊ |
D |
x,y,z |
1_555 |
358 |
86 |
22954 |
3344.4 |
-16.1 |
0.157 |
44 |
22 |
0 |
0.460 |
4 |
|
D |
358 |
103 |
22954 |
◊ |
C |
x,y,z |
1_555 |
358 |
89 |
22780 |
3342.3 |
-11.6 |
0.261 |
40 |
23 |
0 |
0.460 |
5 |
|
C |
352 |
100 |
22780 |
◊ |
B |
x,y,z |
1_555 |
347 |
87 |
23002 |
3221.0 |
-17.2 |
0.152 |
42 |
20 |
0 |
0.460 |
6 |
|
F |
357 |
100 |
24841 |
◊ |
E |
x,y,z |
1_555 |
337 |
85 |
23617 |
3205.1 |
-19.9 |
0.136 |
41 |
27 |
0 |
0.460 |
Average: |
3322.7 |
-16.3 |
0.179 |
42 |
24 |
0 |
0.460 |
2 |
7 |
|
C |
94 |
28 |
22780 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
95 |
28 |
24841 |
863.0 |
-0.6 |
0.475 |
7 |
7 |
0 |
0.000 |
3 |
8 |
|
D |
69 |
16 |
22954 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
61 |
15 |
25074 |
571.3 |
-1.5 |
0.393 |
6 |
3 |
0 |
0.000 |
4 |
9 |
|
B |
59 |
19 |
23002 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
58 |
19 |
25074 |
555.0 |
1.8 |
0.703 |
9 |
3 |
0 |
0.000 |
5 |
10 |
|
D |
58 |
16 |
22954 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
64 |
17 |
24841 |
540.6 |
0.7 |
0.682 |
4 |
3 |
0 |
0.000 |
6 |
11 |
|
[ATP]E:603 |
30 |
1 |
630 |
f |
E |
x,y,z |
1_555 |
46 |
18 |
23617 |
317.9 |
-2.8 |
0.472 |
16 |
0 |
0 |
0.036 |
12 |
|
[ATP]D:603 |
30 |
1 |
635 |
f |
D |
x,y,z |
1_555 |
48 |
18 |
22954 |
316.4 |
-2.7 |
0.481 |
13 |
0 |
0 |
0.036 |
Average: |
317.1 |
-2.8 |
0.476 |
15 |
0 |
0 |
0.036 |
7 |
13 |
|
[ATP]D:602 |
30 |
1 |
628 |
f |
D |
x,y,z |
1_555 |
53 |
19 |
22954 |
314.1 |
-3.4 |
0.482 |
11 |
0 |
0 |
0.099 |
14 |
|
[ATP]B:602 |
30 |
1 |
635 |
f |
B |
x,y,z |
1_555 |
52 |
17 |
23002 |
311.7 |
-3.5 |
0.471 |
10 |
0 |
0 |
0.099 |
15 |
|
[ATP]F:602 |
30 |
1 |
625 |
f |
F |
x,y,z |
1_555 |
51 |
17 |
24841 |
311.0 |
-3.3 |
0.480 |
13 |
0 |
0 |
0.099 |
16 |
|
[ATP]C:602 |
30 |
1 |
627 |
f |
C |
x,y,z |
1_555 |
50 |
18 |
22780 |
306.3 |
-3.3 |
0.458 |
12 |
0 |
0 |
0.099 |
17 |
|
[ATP]E:602 |
30 |
1 |
614 |
f |
E |
x,y,z |
1_555 |
49 |
17 |
23617 |
304.7 |
-3.1 |
0.490 |
10 |
0 |
0 |
0.099 |
18 |
|
[ATP]A:802 |
30 |
1 |
620 |
f |
A |
x,y,z |
1_555 |
49 |
17 |
25074 |
302.6 |
-3.4 |
0.466 |
11 |
0 |
0 |
0.099 |
Average: |
308.4 |
-3.3 |
0.475 |
11 |
0 |
0 |
0.099 |
8 |
19 |
|
[ATP]A:803 |
29 |
1 |
627 |
f |
A |
x,y,z |
1_555 |
47 |
17 |
25074 |
310.2 |
-3.7 |
0.450 |
15 |
0 |
0 |
0.071 |
20 |
|
[ATP]B:603 |
29 |
1 |
626 |
f |
B |
x,y,z |
1_555 |
47 |
19 |
23002 |
304.2 |
-3.2 |
0.459 |
12 |
0 |
0 |
0.071 |
21 |
|
[ATP]C:603 |
30 |
1 |
632 |
f |
C |
x,y,z |
1_555 |
43 |
15 |
22780 |
302.2 |
-3.4 |
0.476 |
11 |
0 |
0 |
0.071 |
22 |
|
[ATP]A:804 |
29 |
1 |
633 |
f |
F |
x,y,z |
1_555 |
48 |
19 |
24841 |
296.6 |
-2.8 |
0.471 |
13 |
0 |
0 |
0.071 |
Average: |
303.3 |
-3.3 |
0.464 |
13 |
0 |
0 |
0.071 |
9 |
23 |
|
C |
27 |
7 |
22780 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
29 |
9 |
25074 |
233.2 |
2.6 |
0.796 |
0 |
0 |
0 |
0.000 |
10 |
24 |
|
[ATP]C:603 |
21 |
1 |
632 |
◊ |
D |
x,y,z |
1_555 |
35 |
10 |
22954 |
230.9 |
-0.5 |
0.485 |
5 |
0 |
0 |
0.034 |
25 |
|
[ATP]B:603 |
21 |
1 |
626 |
◊ |
C |
x,y,z |
1_555 |
32 |
10 |
22780 |
229.2 |
-0.5 |
0.524 |
6 |
0 |
0 |
0.034 |
26 |
|
[ATP]A:803 |
21 |
1 |
627 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
23002 |
224.5 |
0.3 |
0.627 |
4 |
0 |
0 |
0.034 |
27 |
|
[ATP]D:603 |
21 |
1 |
635 |
◊ |
E |
x,y,z |
1_555 |
32 |
10 |
23617 |
223.9 |
-0.9 |
0.474 |
6 |
0 |
0 |
0.034 |
28 |
|
[ATP]A:804 |
21 |
1 |
633 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
25074 |
223.3 |
-0.8 |
0.465 |
5 |
0 |
0 |
0.034 |
29 |
|
[ATP]E:603 |
22 |
1 |
630 |
◊ |
F |
x,y,z |
1_555 |
32 |
10 |
24841 |
216.2 |
-0.7 |
0.526 |
6 |
0 |
0 |
0.034 |
Average: |
224.7 |
-0.5 |
0.517 |
5 |
0 |
0 |
0.034 |
11 |
30 |
|
[ATP]C:602 |
22 |
1 |
627 |
◊ |
D |
x,y,z |
1_555 |
30 |
10 |
22954 |
215.3 |
1.1 |
0.698 |
8 |
0 |
0 |
0.017 |
31 |
|
[ATP]B:602 |
23 |
1 |
635 |
◊ |
C |
x,y,z |
1_555 |
33 |
10 |
22780 |
212.2 |
1.5 |
0.737 |
6 |
0 |
0 |
0.017 |
32 |
|
[ATP]D:602 |
21 |
1 |
628 |
◊ |
E |
x,y,z |
1_555 |
33 |
10 |
23617 |
209.7 |
1.1 |
0.723 |
7 |
0 |
0 |
0.017 |
33 |
|
[ATP]E:602 |
22 |
1 |
614 |
◊ |
F |
x,y,z |
1_555 |
33 |
11 |
24841 |
207.4 |
1.6 |
0.768 |
4 |
0 |
0 |
0.017 |
34 |
|
[ATP]F:602 |
22 |
1 |
625 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
25074 |
202.1 |
1.1 |
0.725 |
6 |
0 |
0 |
0.017 |
35 |
|
[ATP]A:802 |
21 |
1 |
620 |
◊ |
B |
x,y,z |
1_555 |
35 |
10 |
23002 |
200.2 |
1.7 |
0.750 |
7 |
0 |
0 |
0.017 |
Average: |
207.8 |
1.3 |
0.734 |
6 |
0 |
0 |
0.017 |
12 |
36 |
|
E |
22 |
8 |
23617 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
20 |
7 |
25074 |
189.4 |
1.5 |
0.767 |
2 |
0 |
0 |
0.000 |
13 |
37 |
|
D |
20 |
5 |
22954 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
6 |
23617 |
151.6 |
1.7 |
0.737 |
2 |
0 |
0 |
0.000 |
14 |
38 |
|
C |
13 |
6 |
22780 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
18 |
6 |
25074 |
103.4 |
0.2 |
0.633 |
0 |
0 |
0 |
0.000 |
15 |
39 |
|
[PO4]B:605 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
23002 |
95.1 |
-5.0 |
0.861 |
3 |
0 |
0 |
0.020 |
16 |
40 |
|
[PO4]F:603 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
15 |
6 |
24841 |
94.1 |
-4.5 |
0.896 |
3 |
0 |
0 |
0.013 |
17 |
41 |
|
C |
12 |
4 |
22780 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
8 |
2 |
23002 |
93.8 |
0.2 |
0.592 |
0 |
0 |
0 |
0.000 |
18 |
42 |
|
[PO4]D:604 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
22954 |
93.5 |
-4.4 |
0.898 |
2 |
0 |
0 |
0.017 |
19 |
43 |
|
[PO4]C:604 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
22780 |
91.6 |
-4.4 |
0.891 |
2 |
0 |
0 |
0.017 |
20 |
44 |
|
[PO4]E:605 |
5 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
23617 |
83.9 |
-4.1 |
0.859 |
1 |
0 |
0 |
0.009 |
21 |
45 |
|
[PO4]F:604 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
24841 |
82.6 |
-5.0 |
0.851 |
2 |
0 |
0 |
0.013 |
22 |
46 |
|
[PO4]E:604 |
5 |
1 |
189 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
23617 |
81.3 |
-5.1 |
0.754 |
2 |
0 |
0 |
0.019 |
23 |
47 |
|
[PO4]E:605 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
12 |
8 |
24841 |
74.7 |
-4.6 |
0.721 |
0 |
0 |
0 |
0.011 |
24 |
48 |
|
B |
8 |
3 |
23002 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
7 |
1 |
24841 |
67.3 |
-0.8 |
0.248 |
0 |
0 |
0 |
0.000 |
25 |
49 |
|
[PO4]C:604 |
5 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
10 |
7 |
22954 |
66.7 |
-3.8 |
0.690 |
0 |
0 |
0 |
0.008 |
26 |
50 |
|
[PO4]B:604 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
25074 |
65.8 |
-3.6 |
0.774 |
0 |
0 |
0 |
0.010 |
27 |
51 |
|
[PO4]D:604 |
5 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
12 |
7 |
23617 |
65.4 |
-4.1 |
0.567 |
0 |
0 |
0 |
0.008 |
28 |
52 |
|
[PO4]F:603 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
25074 |
65.0 |
-4.1 |
0.568 |
0 |
0 |
0 |
0.008 |
29 |
53 |
|
[PO4]B:605 |
5 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
22780 |
61.2 |
-3.5 |
0.640 |
0 |
0 |
0 |
0.007 |
30 |
54 |
|
[PO4]E:604 |
5 |
1 |
189 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
24841 |
57.5 |
-3.2 |
0.635 |
1 |
0 |
0 |
0.007 |
31 |
55 |
|
E |
5 |
1 |
23617 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
3 |
24841 |
55.0 |
-0.6 |
0.269 |
0 |
1 |
0 |
0.000 |
32 |
56 |
|
D |
5 |
2 |
22954 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
5 |
1 |
24841 |
52.6 |
0.1 |
0.547 |
1 |
0 |
0 |
0.000 |
33 |
57 |
|
[PO4]B:604 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
23002 |
48.7 |
-2.6 |
0.740 |
2 |
0 |
0 |
0.007 |
34 |
58 |
|
[PO4]F:604 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
25074 |
46.1 |
-2.3 |
0.707 |
1 |
0 |
0 |
0.005 |
35 |
59 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
23002 |
39.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.059 |
60 |
|
[MG]E:601 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
5 |
23617 |
38.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.059 |
61 |
|
[MG]F:601 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
24841 |
37.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.059 |
62 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
22780 |
34.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.059 |
63 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
22954 |
32.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.059 |
64 |
|
[MG]A:801 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
25074 |
30.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
35.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.059 |
36 |
65 |
|
E |
5 |
3 |
23617 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
2 |
23002 |
33.3 |
0.2 |
0.578 |
0 |
0 |
0 |
0.000 |
37 |
66 |
|
D |
3 |
1 |
22954 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
6 |
3 |
24841 |
31.7 |
0.2 |
0.674 |
1 |
0 |
0 |
0.000 |
38 |
67 |
|
[ATP]D:602 |
7 |
1 |
628 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.042 |
68 |
|
[ATP]B:602 |
7 |
1 |
635 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.042 |
69 |
|
[ATP]E:602 |
6 |
1 |
614 |
f |
[MG]E:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.042 |
70 |
|
[ATP]C:602 |
7 |
1 |
627 |
f |
[MG]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.042 |
71 |
|
[ATP]A:802 |
8 |
1 |
620 |
f |
[MG]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.042 |
72 |
|
[ATP]F:602 |
6 |
1 |
625 |
f |
[MG]F:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
27.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.042 |
39 |
73 |
|
[ATP]A:802 |
6 |
1 |
620 |
f |
[MG]B:606 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.010 |
40 |
74 |
|
[PO4]F:604 |
3 |
1 |
188 |
f |
[ATP]A:804 |
x,y,z |
1_555 |
4 |
1 |
633 |
28.7 |
-1.2 |
0.731 |
0 |
0 |
0 |
0.003 |
41 |
75 |
|
B |
3 |
1 |
23002 |
◊ |
F |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
2 |
24841 |
25.5 |
0.4 |
0.727 |
1 |
1 |
0 |
0.000 |
42 |
76 |
|
[MG]B:606 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
23002 |
24.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.019 |
77 |
|
[MG]C:601 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
22954 |
18.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
78 |
|
[MG]D:601 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
23617 |
14.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.019 |
79 |
|
[MG]A:801 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
23002 |
13.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
80 |
|
[MG]F:601 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
25074 |
12.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.019 |
81 |
|
[MG]E:601 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
24841 |
11.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.019 |
82 |
|
[MG]B:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22780 |
6.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
14.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.019 |
43 |
83 |
|
[MG]B:606 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
25074 |
18.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.005 |
44 |
84 |
|
[MG]B:606 |
1 |
1 |
98 |
f |
[MG]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.006 |
45 |
85 |
|
[ATP]C:602 |
1 |
1 |
627 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
24841 |
2.4 |
0.1 |
0.539 |
0 |
0 |
0 |
0.000 |
|