## |
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 |
223 |
57 |
21687 |
◊ |
C |
x,y,z |
1_555 |
212 |
52 |
21835 |
2099.0 |
-17.7 |
0.200 |
24 |
3 |
0 |
0.306 |
2 |
|
B |
213 |
54 |
21839 |
◊ |
A |
x,y,z |
1_555 |
216 |
58 |
21924 |
2056.4 |
-17.3 |
0.176 |
24 |
0 |
0 |
0.306 |
Average: |
2077.7 |
-17.5 |
0.188 |
24 |
2 |
0 |
0.306 |
2 |
3 |
|
C |
94 |
26 |
21835 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
89 |
26 |
21924 |
738.2 |
-2.7 |
0.573 |
3 |
1 |
0 |
0.000 |
3 |
4 |
|
C |
50 |
19 |
21835 |
◊ |
B |
x,y,z |
1_555 |
53 |
17 |
21839 |
508.1 |
1.0 |
0.743 |
6 |
4 |
0 |
0.000 |
4 |
5 |
|
D |
59 |
14 |
21687 |
◊ |
A |
x,y,z |
1_555 |
56 |
13 |
21924 |
487.2 |
-2.3 |
0.481 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
45 |
11 |
21924 |
◊ |
C |
-y-1/2,x-1/2,z+1/2 |
7_445 |
46 |
14 |
21835 |
483.9 |
-8.1 |
0.061 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
45 |
14 |
21839 |
x |
B |
-y,x,z |
3_555 |
34 |
13 |
21839 |
331.3 |
-2.7 |
0.323 |
3 |
2 |
0 |
0.000 |
7 |
8 |
|
[G4P]C:502 |
25 |
1 |
666 |
◊ |
C |
x,y,z |
1_555 |
41 |
18 |
21835 |
329.6 |
3.7 |
0.932 |
13 |
0 |
0 |
0.054 |
9 |
|
[G4P]A:601 |
26 |
1 |
674 |
◊ |
A |
x,y,z |
1_555 |
35 |
15 |
21924 |
305.6 |
3.6 |
0.934 |
10 |
0 |
0 |
0.054 |
10 |
|
[G4P]B:502 |
23 |
1 |
675 |
◊ |
B |
x,y,z |
1_555 |
38 |
16 |
21839 |
293.7 |
1.8 |
0.898 |
11 |
0 |
0 |
0.054 |
11 |
|
[G4P]D:601 |
26 |
1 |
680 |
◊ |
D |
x,y,z |
1_555 |
38 |
17 |
21687 |
293.0 |
1.1 |
0.893 |
10 |
0 |
0 |
0.054 |
Average: |
305.5 |
2.5 |
0.914 |
11 |
0 |
0 |
0.054 |
8 |
12 |
|
D |
35 |
14 |
21687 |
x |
D |
-y-1,x,z |
3_455 |
40 |
13 |
21687 |
315.6 |
-1.8 |
0.460 |
2 |
2 |
0 |
0.000 |
9 |
13 |
|
D |
24 |
6 |
21687 |
◊ |
B |
-y-1/2,x-1/2,z-1/2 |
7_444 |
22 |
6 |
21839 |
228.1 |
-0.0 |
0.633 |
3 |
2 |
0 |
0.000 |
10 |
14 |
|
[LMR]D:603 |
9 |
1 |
260 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
21687 |
170.8 |
-2.7 |
0.603 |
8 |
0 |
0 |
0.062 |
11 |
15 |
|
[G4P]D:601 |
23 |
1 |
680 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
21835 |
170.7 |
-4.9 |
0.484 |
2 |
0 |
0 |
0.110 |
16 |
|
[G4P]B:502 |
20 |
1 |
675 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
21924 |
166.4 |
-4.6 |
0.403 |
1 |
0 |
0 |
0.110 |
17 |
|
[G4P]A:601 |
19 |
1 |
674 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
21839 |
158.9 |
-4.5 |
0.403 |
1 |
0 |
0 |
0.110 |
18 |
|
[G4P]C:502 |
21 |
1 |
666 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
21687 |
158.4 |
-4.9 |
0.416 |
1 |
0 |
0 |
0.110 |
Average: |
163.6 |
-4.7 |
0.427 |
1 |
0 |
0 |
0.110 |
12 |
19 |
|
[LMR]C:504 |
9 |
1 |
262 |
f |
C |
x,y,z |
1_555 |
26 |
16 |
21835 |
168.4 |
-2.3 |
0.625 |
10 |
0 |
0 |
0.067 |
13 |
20 |
|
[LMR]A:603 |
9 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
28 |
15 |
21924 |
166.4 |
-2.5 |
0.616 |
8 |
0 |
0 |
0.141 |
21 |
|
[LMR]B:504 |
9 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
28 |
15 |
21839 |
166.0 |
-2.9 |
0.587 |
9 |
0 |
0 |
0.141 |
Average: |
166.2 |
-2.7 |
0.602 |
9 |
0 |
0 |
0.141 |
14 |
22 |
|
[PO4]A:602 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
21924 |
115.7 |
-8.0 |
0.697 |
8 |
0 |
0 |
0.126 |
15 |
23 |
|
[PO4]D:602 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
21 |
12 |
21687 |
115.4 |
-7.7 |
0.691 |
9 |
0 |
0 |
0.116 |
16 |
24 |
|
[PO4]B:503 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
21839 |
103.5 |
-7.4 |
0.690 |
8 |
0 |
0 |
0.120 |
17 |
25 |
|
[PO4]C:503 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
21835 |
98.7 |
-7.5 |
0.692 |
7 |
0 |
0 |
0.105 |
18 |
26 |
|
[EDO]A:605 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
21924 |
90.2 |
2.1 |
0.272 |
2 |
0 |
0 |
0.000 |
19 |
27 |
|
C |
12 |
5 |
21835 |
◊ |
B |
-y-1/2,x-1/2,z-1/2 |
7_444 |
14 |
4 |
21839 |
83.8 |
-1.1 |
0.450 |
0 |
2 |
0 |
0.000 |
20 |
28 |
|
[PO4]C:506 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
21839 |
78.0 |
-4.4 |
0.768 |
0 |
0 |
0 |
0.048 |
21 |
29 |
|
[LMR]A:604 |
6 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
21924 |
69.8 |
-0.6 |
0.682 |
1 |
0 |
0 |
0.000 |
22 |
30 |
|
[PO4]C:506 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
21835 |
64.2 |
-2.8 |
0.901 |
1 |
0 |
0 |
0.000 |
23 |
31 |
|
C |
10 |
6 |
21835 |
◊ |
D |
-y-1,x,z |
3_455 |
5 |
1 |
21687 |
54.6 |
0.2 |
0.681 |
1 |
0 |
0 |
0.000 |
32 |
|
B |
2 |
1 |
21839 |
◊ |
A |
-y,x,z |
3_555 |
6 |
3 |
21924 |
27.2 |
0.2 |
0.736 |
1 |
0 |
0 |
0.000 |
Average: |
40.9 |
0.2 |
0.709 |
1 |
0 |
0 |
0.000 |
24 |
33 |
|
[EDO]B:505 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
21839 |
52.8 |
1.5 |
0.847 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
21839 |
51.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.057 |
35 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
21835 |
51.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
51.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.057 |
26 |
36 |
|
[EDO]B:505 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
21924 |
43.7 |
1.0 |
0.209 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
C |
7 |
4 |
21835 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
21924 |
42.0 |
-0.2 |
0.581 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
B |
5 |
2 |
21839 |
f |
[LMR]A:604 |
-y,x,z |
3_555 |
5 |
1 |
257 |
38.5 |
-1.4 |
0.364 |
0 |
0 |
0 |
0.015 |
29 |
39 |
|
[MG]C:505 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
21687 |
35.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.034 |
30 |
40 |
|
[MG]C:505 |
1 |
1 |
98 |
f |
[G4P]C:502 |
x,y,z |
1_555 |
4 |
1 |
666 |
34.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.052 |
31 |
41 |
|
D |
5 |
3 |
21687 |
◊ |
A |
-y-1/2,x-1/2,z-1/2 |
7_444 |
5 |
2 |
21924 |
28.8 |
-0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
[PO4]C:503 |
x,y,z |
1_555 |
3 |
1 |
189 |
26.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.041 |
43 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
[PO4]B:503 |
x,y,z |
1_555 |
3 |
1 |
189 |
25.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
25.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.041 |
33 |
44 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
[LMR]B:504 |
x,y,z |
1_555 |
4 |
1 |
264 |
22.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.025 |
45 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
[LMR]C:504 |
x,y,z |
1_555 |
3 |
1 |
262 |
19.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
20.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.025 |
34 |
46 |
|
[LMR]A:603 |
4 |
1 |
259 |
f |
[PO4]A:602 |
x,y,z |
1_555 |
2 |
1 |
188 |
13.8 |
-0.5 |
0.861 |
0 |
0 |
0 |
0.005 |
35 |
47 |
|
[LMR]D:603 |
3 |
1 |
260 |
◊ |
[G4P]D:601 |
x,y,z |
1_555 |
2 |
1 |
680 |
13.5 |
-0.4 |
0.559 |
0 |
0 |
0 |
0.005 |
48 |
|
[LMR]C:504 |
2 |
1 |
262 |
◊ |
[G4P]C:502 |
x,y,z |
1_555 |
2 |
1 |
666 |
3.1 |
-0.1 |
0.563 |
0 |
0 |
0 |
0.005 |
Average: |
8.3 |
-0.2 |
0.561 |
0 |
0 |
0 |
0.005 |
36 |
49 |
|
[LMR]A:604 |
3 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21839 |
12.4 |
0.6 |
0.808 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
[LMR]A:603 |
2 |
1 |
259 |
◊ |
[G4P]A:601 |
x,y,z |
1_555 |
3 |
1 |
674 |
8.0 |
-0.2 |
0.596 |
0 |
0 |
0 |
0.004 |
51 |
|
[LMR]B:504 |
1 |
1 |
264 |
◊ |
[G4P]B:502 |
x,y,z |
1_555 |
2 |
1 |
675 |
7.4 |
-0.2 |
0.436 |
0 |
0 |
0 |
0.004 |
Average: |
7.7 |
-0.2 |
0.516 |
0 |
0 |
0 |
0.004 |
38 |
52 |
|
[LMR]D:603 |
3 |
1 |
260 |
f |
[PO4]D:602 |
x,y,z |
1_555 |
3 |
1 |
189 |
6.4 |
-0.1 |
0.870 |
0 |
0 |
0 |
0.001 |
39 |
53 |
|
[LMR]B:504 |
2 |
1 |
264 |
f |
[PO4]B:503 |
x,y,z |
1_555 |
1 |
1 |
189 |
4.8 |
-0.1 |
0.744 |
0 |
0 |
0 |
0.001 |
40 |
54 |
|
[LMR]C:504 |
2 |
1 |
262 |
f |
[PO4]C:503 |
x,y,z |
1_555 |
1 |
1 |
189 |
4.0 |
-0.1 |
0.730 |
0 |
0 |
0 |
0.000 |
|