## |
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 |
450 |
113 |
20952 |
◊ |
A |
x,y,z |
1_555 |
450 |
115 |
21194 |
3988.1 |
-41.2 |
0.006 |
75 |
16 |
0 |
0.753 |
2 |
2 |
|
[DGB]B:601 |
28 |
1 |
691 |
f |
B |
x,y,z |
1_555 |
68 |
21 |
20952 |
440.6 |
-7.5 |
0.493 |
1 |
0 |
0 |
0.157 |
3 |
|
[DGB]A:601 |
27 |
1 |
687 |
f |
A |
x,y,z |
1_555 |
67 |
21 |
21194 |
431.7 |
-7.6 |
0.446 |
1 |
0 |
0 |
0.157 |
Average: |
436.2 |
-7.6 |
0.470 |
1 |
0 |
0 |
0.157 |
3 |
4 |
|
A |
41 |
13 |
21194 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
48 |
17 |
20952 |
384.6 |
2.3 |
0.725 |
7 |
3 |
0 |
0.000 |
4 |
5 |
|
B |
29 |
9 |
20952 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
29 |
8 |
20952 |
287.9 |
-3.0 |
0.242 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
27 |
7 |
21194 |
x |
A |
-x,y-1/2,-z |
2_545 |
28 |
9 |
21194 |
264.0 |
-2.8 |
0.228 |
2 |
0 |
0 |
0.000 |
Average: |
276.0 |
-2.9 |
0.235 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
23 |
6 |
21194 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
6 |
20952 |
211.3 |
-3.1 |
0.176 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
[EDO]B:610 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
20952 |
112.8 |
3.3 |
0.453 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[EDO]A:603 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
21194 |
103.1 |
3.9 |
0.525 |
4 |
0 |
0 |
0.000 |
8 |
10 |
|
[EDO]B:607 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
20952 |
101.6 |
4.0 |
0.524 |
5 |
0 |
0 |
0.000 |
9 |
11 |
|
[EDO]A:609 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
21194 |
100.5 |
3.7 |
0.518 |
3 |
0 |
0 |
0.000 |
10 |
12 |
|
[EDO]B:609 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
20952 |
99.5 |
3.4 |
0.510 |
3 |
0 |
0 |
0.000 |
11 |
13 |
|
[PO4]A:602 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
21194 |
97.4 |
-4.1 |
0.830 |
7 |
0 |
0 |
0.071 |
12 |
14 |
|
[EDO]A:606 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
10 |
21194 |
97.0 |
3.3 |
0.509 |
2 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]B:603 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
19 |
12 |
20952 |
96.3 |
2.3 |
0.282 |
3 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]B:608 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
20952 |
96.2 |
3.1 |
0.454 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
[EDO]A:608 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
21194 |
95.8 |
1.4 |
0.217 |
2 |
0 |
0 |
0.000 |
16 |
18 |
|
[EDO]B:605 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
20952 |
93.9 |
1.4 |
0.234 |
2 |
0 |
0 |
0.000 |
17 |
19 |
|
[PO4]B:611 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20952 |
89.9 |
-4.2 |
0.809 |
6 |
0 |
0 |
0.100 |
18 |
20 |
|
[PO4]B:602 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
20952 |
87.0 |
-2.7 |
0.940 |
4 |
0 |
0 |
0.065 |
19 |
21 |
|
[EDO]B:606 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
20952 |
85.8 |
2.6 |
0.427 |
2 |
0 |
0 |
0.000 |
20 |
22 |
|
[PO4]A:610 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
21194 |
81.0 |
-3.7 |
0.809 |
6 |
0 |
0 |
0.062 |
21 |
23 |
|
[EDO]B:604 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
21194 |
80.5 |
2.1 |
0.411 |
2 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:605 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
20952 |
80.3 |
2.0 |
0.409 |
2 |
0 |
0 |
0.000 |
Average: |
80.4 |
2.0 |
0.410 |
2 |
0 |
0 |
0.000 |
22 |
25 |
|
[EDO]A:607 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
21194 |
77.9 |
2.1 |
0.243 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[DGB]B:601 |
10 |
1 |
691 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
21194 |
74.4 |
-1.7 |
0.562 |
0 |
0 |
0 |
0.033 |
27 |
|
[DGB]A:601 |
10 |
1 |
687 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
20952 |
73.3 |
-1.7 |
0.554 |
0 |
0 |
0 |
0.033 |
Average: |
73.9 |
-1.7 |
0.558 |
0 |
0 |
0 |
0.033 |
24 |
28 |
|
[EDO]A:604 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
13 |
8 |
21194 |
68.8 |
2.8 |
0.334 |
1 |
0 |
0 |
0.000 |
25 |
29 |
|
[EDO]A:605 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
21194 |
56.2 |
1.2 |
0.205 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]B:604 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20952 |
56.2 |
1.1 |
0.191 |
1 |
0 |
0 |
0.000 |
Average: |
56.2 |
1.2 |
0.198 |
1 |
0 |
0 |
0.000 |
26 |
31 |
|
[EDO]B:606 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21194 |
55.4 |
1.3 |
0.728 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[PO4]B:611 |
5 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
21194 |
50.0 |
-2.0 |
0.859 |
2 |
0 |
0 |
0.029 |
28 |
33 |
|
[EDO]B:605 |
2 |
1 |
184 |
f |
[DGB]B:601 |
x,y,z |
1_555 |
8 |
1 |
691 |
48.0 |
0.8 |
0.682 |
1 |
0 |
0 |
0.000 |
29 |
34 |
|
[PO4]A:610 |
5 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
20952 |
44.3 |
-1.8 |
0.848 |
2 |
0 |
0 |
0.026 |
30 |
35 |
|
[EDO]A:608 |
2 |
1 |
185 |
f |
[DGB]A:601 |
x,y,z |
1_555 |
7 |
1 |
687 |
43.6 |
0.8 |
0.680 |
1 |
0 |
0 |
0.000 |
31 |
36 |
|
[EDO]A:603 |
4 |
1 |
184 |
f |
[PO4]A:602 |
x,y,z |
1_555 |
4 |
1 |
188 |
38.1 |
-0.9 |
0.986 |
1 |
0 |
0 |
0.013 |
32 |
37 |
|
[EDO]A:606 |
4 |
1 |
184 |
f |
[EDO]A:604 |
x,y,z |
1_555 |
2 |
1 |
187 |
31.0 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
33 |
38 |
|
[EDO]B:607 |
4 |
1 |
184 |
f |
[PO4]B:602 |
x,y,z |
1_555 |
3 |
1 |
189 |
29.4 |
-0.1 |
0.996 |
0 |
0 |
0 |
0.002 |
34 |
39 |
|
[EDO]B:603 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
21194 |
29.1 |
1.5 |
0.956 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[EDO]A:604 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
20952 |
27.8 |
1.6 |
0.988 |
1 |
0 |
0 |
0.000 |
36 |
41 |
|
[PO4]B:602 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21194 |
26.4 |
-1.3 |
0.831 |
1 |
0 |
0 |
0.017 |
37 |
42 |
|
[EDO]A:604 |
4 |
1 |
187 |
f |
[PO4]B:602 |
x,y,z |
1_555 |
4 |
1 |
189 |
25.8 |
-0.7 |
0.986 |
1 |
0 |
0 |
0.016 |
38 |
43 |
|
[PO4]A:602 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20952 |
21.7 |
-0.9 |
0.818 |
0 |
0 |
0 |
0.009 |
39 |
44 |
|
A |
2 |
1 |
21194 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
20952 |
20.0 |
0.6 |
0.664 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[EDO]A:604 |
2 |
1 |
187 |
◊ |
[PO4]A:610 |
x,y,z |
1_555 |
3 |
1 |
188 |
19.8 |
-0.5 |
0.996 |
1 |
0 |
0 |
0.010 |
41 |
46 |
|
[EDO]A:607 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
20952 |
19.5 |
0.4 |
0.856 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[PO4]A:610 |
4 |
1 |
188 |
f |
[DGB]A:601 |
x,y,z |
1_555 |
4 |
1 |
687 |
19.3 |
-0.8 |
0.925 |
0 |
0 |
0 |
0.008 |
43 |
48 |
|
[PO4]B:611 |
4 |
1 |
189 |
f |
[DGB]B:601 |
x,y,z |
1_555 |
4 |
1 |
691 |
18.6 |
-0.9 |
0.934 |
0 |
0 |
0 |
0.012 |
44 |
49 |
|
[EDO]A:606 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
20952 |
17.1 |
0.8 |
0.952 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[PO4]B:602 |
3 |
1 |
189 |
◊ |
[PO4]A:610 |
x,y,z |
1_555 |
3 |
1 |
188 |
14.2 |
-1.4 |
0.992 |
0 |
0 |
0 |
0.013 |
46 |
51 |
|
[EDO]A:604 |
3 |
1 |
187 |
◊ |
[DGB]A:601 |
x,y,z |
1_555 |
2 |
1 |
687 |
11.6 |
0.2 |
0.927 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
[PO4]B:611 |
3 |
1 |
189 |
◊ |
[PO4]A:602 |
x,y,z |
1_555 |
3 |
1 |
188 |
11.4 |
-1.0 |
0.992 |
0 |
0 |
0 |
0.010 |
48 |
53 |
|
[EDO]B:604 |
1 |
1 |
184 |
f |
[PO4]B:611 |
x,y,z |
1_555 |
1 |
1 |
189 |
5.5 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.001 |
49 |
54 |
|
[EDO]A:605 |
1 |
1 |
184 |
f |
[PO4]A:610 |
x,y,z |
1_555 |
1 |
1 |
188 |
4.1 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
[EDO]B:603 |
1 |
1 |
183 |
f |
[PO4]A:602 |
x,y,z |
1_555 |
1 |
1 |
188 |
1.1 |
-0.0 |
0.894 |
0 |
0 |
0 |
0.000 |
51 |
56 |
|
B |
1 |
1 |
20952 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
20952 |
0.3 |
0.0 |
0.679 |
0 |
0 |
0 |
0.000 |
|