## |
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 |
438 |
109 |
20903 |
◊ |
A |
x,y,z |
1_555 |
444 |
112 |
21071 |
3958.9 |
-40.0 |
0.007 |
79 |
17 |
0 |
0.965 |
2 |
2 |
|
[2QF]A:601 |
30 |
1 |
628 |
◊ |
A |
x,y,z |
1_555 |
62 |
21 |
21071 |
418.9 |
1.4 |
0.320 |
3 |
0 |
0 |
0.000 |
3 |
|
[2QF]B:601 |
30 |
1 |
630 |
◊ |
B |
x,y,z |
1_555 |
60 |
20 |
20903 |
416.7 |
1.3 |
0.320 |
3 |
0 |
0 |
0.000 |
Average: |
417.8 |
1.4 |
0.320 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
41 |
14 |
21071 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
54 |
20 |
20903 |
405.0 |
2.6 |
0.741 |
6 |
3 |
0 |
0.000 |
4 |
5 |
|
B |
31 |
9 |
20903 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
28 |
8 |
20903 |
292.3 |
-2.2 |
0.306 |
4 |
0 |
0 |
0.000 |
6 |
|
A |
27 |
6 |
21071 |
x |
A |
-x,y-1/2,-z |
2_545 |
29 |
9 |
21071 |
291.3 |
-2.6 |
0.254 |
2 |
0 |
0 |
0.000 |
Average: |
291.8 |
-2.4 |
0.280 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
22 |
6 |
21071 |
◊ |
B |
x,y,z-1 |
1_554 |
22 |
6 |
20903 |
212.1 |
-3.1 |
0.183 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
[EDO]B:607 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
20903 |
110.9 |
3.8 |
0.465 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[EDO]A:608 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
21071 |
107.8 |
3.7 |
0.450 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
[EDO]A:604 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
21071 |
102.5 |
4.4 |
0.544 |
4 |
0 |
0 |
0.000 |
11 |
|
[EDO]B:605 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
20903 |
101.6 |
4.4 |
0.546 |
4 |
0 |
0 |
0.000 |
Average: |
102.0 |
4.4 |
0.545 |
4 |
0 |
0 |
0.000 |
9 |
12 |
|
[EDO]A:606 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
21071 |
100.3 |
3.8 |
0.517 |
3 |
0 |
0 |
0.000 |
10 |
13 |
|
[PO4]B:603 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
20903 |
91.4 |
-2.8 |
0.949 |
5 |
0 |
0 |
0.062 |
11 |
14 |
|
[EDO]B:609 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
20903 |
90.1 |
2.7 |
0.293 |
3 |
0 |
0 |
0.000 |
12 |
15 |
|
[PO4]A:602 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
21071 |
89.0 |
-2.8 |
0.945 |
4 |
0 |
0 |
0.057 |
13 |
16 |
|
[EDO]A:609 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
21071 |
85.0 |
2.4 |
0.415 |
2 |
0 |
0 |
0.000 |
17 |
|
[EDO]B:606 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
20903 |
83.8 |
2.4 |
0.423 |
2 |
0 |
0 |
0.000 |
Average: |
84.4 |
2.4 |
0.419 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[PO4]A:603 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
21071 |
84.3 |
-4.1 |
0.795 |
5 |
0 |
0 |
0.078 |
15 |
19 |
|
[EDO]B:610 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
20903 |
83.8 |
2.0 |
0.258 |
2 |
0 |
0 |
0.000 |
16 |
20 |
|
[PO4]B:602 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
20903 |
83.3 |
-4.0 |
0.798 |
5 |
0 |
0 |
0.078 |
17 |
21 |
|
[2QF]B:601 |
13 |
1 |
630 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
21071 |
82.3 |
1.7 |
0.406 |
0 |
0 |
0 |
0.000 |
22 |
|
[2QF]A:601 |
13 |
1 |
628 |
f |
B |
x,y,z |
1_555 |
15 |
3 |
20903 |
80.7 |
1.7 |
0.401 |
0 |
0 |
0 |
0.000 |
Average: |
81.5 |
1.7 |
0.404 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[EDO]A:605 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
21071 |
80.8 |
2.1 |
0.410 |
2 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]A:607 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
21071 |
80.3 |
2.3 |
0.248 |
1 |
0 |
0 |
0.000 |
25 |
|
[EDO]B:608 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
20903 |
79.9 |
2.3 |
0.250 |
1 |
0 |
0 |
0.000 |
Average: |
80.1 |
2.3 |
0.249 |
1 |
0 |
0 |
0.000 |
20 |
26 |
|
[EDO]B:604 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
20903 |
80.0 |
2.1 |
0.410 |
2 |
0 |
0 |
0.000 |
21 |
27 |
|
A |
8 |
3 |
21071 |
◊ |
[EDO]B:610 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
183 |
64.6 |
2.5 |
0.308 |
1 |
0 |
0 |
0.000 |
22 |
28 |
|
[EDO]B:606 |
3 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
21071 |
60.2 |
1.4 |
0.249 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:609 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
20903 |
58.2 |
1.4 |
0.256 |
0 |
0 |
0 |
0.000 |
Average: |
59.2 |
1.4 |
0.252 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[EDO]B:604 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
21071 |
55.9 |
1.2 |
0.193 |
1 |
0 |
0 |
0.000 |
24 |
31 |
|
[EDO]A:605 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20903 |
55.5 |
1.1 |
0.546 |
1 |
0 |
0 |
0.000 |
25 |
32 |
|
A |
9 |
2 |
21071 |
◊ |
[EDO]B:609 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
184 |
48.5 |
2.1 |
0.298 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[PO4]A:603 |
5 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
20903 |
46.9 |
-2.0 |
0.855 |
2 |
0 |
0 |
0.036 |
27 |
34 |
|
[PO4]B:602 |
5 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
21071 |
46.8 |
-2.0 |
0.859 |
2 |
0 |
0 |
0.035 |
28 |
35 |
|
[EDO]B:605 |
3 |
1 |
184 |
f |
[PO4]B:603 |
x,y,z |
1_555 |
4 |
1 |
189 |
33.9 |
-0.6 |
0.986 |
1 |
0 |
0 |
0.013 |
29 |
36 |
|
[EDO]A:604 |
3 |
1 |
185 |
f |
[PO4]A:602 |
x,y,z |
1_555 |
4 |
1 |
189 |
33.8 |
-0.7 |
0.986 |
1 |
0 |
0 |
0.015 |
30 |
37 |
|
[PO4]A:602 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20903 |
33.0 |
-1.6 |
0.838 |
1 |
0 |
0 |
0.026 |
31 |
38 |
|
[PO4]B:603 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21071 |
32.3 |
-1.6 |
0.833 |
1 |
0 |
0 |
0.025 |
32 |
39 |
|
[PO4]A:603 |
4 |
1 |
190 |
◊ |
[2QF]A:601 |
x,y,z |
1_555 |
4 |
1 |
628 |
26.5 |
-0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[EDO]B:608 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
21071 |
25.8 |
0.6 |
0.882 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:607 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
20903 |
25.3 |
0.5 |
0.837 |
0 |
0 |
0 |
0.000 |
Average: |
25.5 |
0.5 |
0.860 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[PO4]B:602 |
4 |
1 |
189 |
◊ |
[2QF]B:601 |
x,y,z |
1_555 |
3 |
1 |
630 |
25.8 |
-0.1 |
0.786 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
A |
2 |
1 |
21071 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
20903 |
23.2 |
0.7 |
0.655 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[PO4]B:602 |
3 |
1 |
189 |
◊ |
[PO4]A:602 |
x,y,z |
1_555 |
3 |
1 |
189 |
16.9 |
-1.7 |
0.992 |
0 |
0 |
0 |
0.021 |
37 |
45 |
|
[PO4]B:603 |
3 |
1 |
189 |
◊ |
[PO4]A:603 |
x,y,z |
1_555 |
3 |
1 |
190 |
16.0 |
-1.6 |
0.992 |
0 |
0 |
0 |
0.020 |
38 |
46 |
|
B |
3 |
2 |
20903 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
21071 |
11.4 |
0.5 |
0.789 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
[PO4]B:603 |
1 |
1 |
189 |
f |
[2QF]A:601 |
x,y,z |
1_555 |
1 |
1 |
628 |
5.9 |
-0.1 |
0.712 |
0 |
0 |
0 |
0.001 |
40 |
48 |
|
[PO4]A:602 |
1 |
1 |
189 |
f |
[2QF]B:601 |
x,y,z |
1_555 |
1 |
1 |
630 |
5.3 |
-0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
[EDO]B:604 |
1 |
1 |
186 |
f |
[PO4]A:603 |
x,y,z |
1_555 |
1 |
1 |
190 |
5.0 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[EDO]A:605 |
1 |
1 |
185 |
f |
[PO4]B:602 |
x,y,z |
1_555 |
1 |
1 |
189 |
4.5 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
|