## |
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 |
449 |
111 |
21117 |
◊ |
A |
x,y,z |
1_555 |
445 |
112 |
21039 |
3909.6 |
-42.5 |
0.003 |
78 |
16 |
0 |
0.709 |
2 |
2 |
|
A |
44 |
16 |
21039 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
49 |
17 |
21117 |
443.8 |
3.4 |
0.808 |
6 |
3 |
0 |
0.000 |
3 |
3 |
|
[20O]A:601 |
27 |
1 |
600 |
f |
A |
x,y,z |
1_555 |
58 |
18 |
21039 |
386.6 |
-0.7 |
0.240 |
1 |
0 |
0 |
0.019 |
4 |
|
[20O]B:601 |
27 |
1 |
602 |
f |
B |
x,y,z |
1_555 |
57 |
18 |
21117 |
386.3 |
-0.6 |
0.238 |
1 |
0 |
0 |
0.019 |
Average: |
386.5 |
-0.6 |
0.239 |
1 |
0 |
0 |
0.019 |
4 |
5 |
|
A |
27 |
6 |
21039 |
x |
A |
-x,y-1/2,-z |
2_545 |
30 |
9 |
21039 |
283.3 |
-2.3 |
0.272 |
3 |
0 |
0 |
0.000 |
6 |
|
B |
32 |
9 |
21117 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
27 |
7 |
21117 |
281.3 |
-2.2 |
0.259 |
3 |
0 |
0 |
0.000 |
Average: |
282.3 |
-2.2 |
0.265 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
21 |
6 |
21039 |
◊ |
B |
x,y,z-1 |
1_554 |
22 |
6 |
21117 |
208.8 |
-3.1 |
0.170 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
[EDO]A:610 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
21039 |
105.9 |
3.8 |
0.457 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[EDO]A:605 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
21039 |
101.9 |
4.1 |
0.526 |
3 |
0 |
0 |
0.000 |
8 |
10 |
|
[EDO]B:605 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
21117 |
101.3 |
4.1 |
0.521 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
[PO4]B:604 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
21117 |
99.3 |
-6.2 |
0.703 |
3 |
0 |
0 |
0.067 |
10 |
12 |
|
[PO4]A:604 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
21039 |
99.1 |
-6.2 |
0.701 |
3 |
0 |
0 |
0.067 |
11 |
13 |
|
[EDO]A:608 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
21039 |
85.2 |
2.6 |
0.418 |
2 |
0 |
0 |
0.000 |
12 |
14 |
|
[PO4]A:603 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
21039 |
85.2 |
-4.1 |
0.799 |
5 |
0 |
0 |
0.056 |
13 |
15 |
|
[PO4]B:602 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
21117 |
84.2 |
-4.0 |
0.804 |
5 |
0 |
0 |
0.056 |
14 |
16 |
|
[PO4]B:603 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
21117 |
82.4 |
-2.6 |
0.944 |
5 |
0 |
0 |
0.043 |
15 |
17 |
|
[PO4]A:602 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
21039 |
82.2 |
-2.6 |
0.943 |
4 |
0 |
0 |
0.039 |
16 |
18 |
|
[EDO]A:606 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
21039 |
81.0 |
2.0 |
0.404 |
2 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:607 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
21117 |
80.8 |
2.1 |
0.406 |
2 |
0 |
0 |
0.000 |
Average: |
80.9 |
2.0 |
0.405 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]B:606 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
21117 |
80.2 |
2.4 |
0.249 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]A:611 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
21117 |
78.1 |
2.1 |
0.516 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:607 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
21039 |
77.6 |
2.0 |
0.496 |
0 |
0 |
0 |
0.000 |
Average: |
77.9 |
2.1 |
0.506 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]A:609 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
21039 |
77.3 |
2.0 |
0.248 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[20O]A:601 |
8 |
1 |
600 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
21117 |
68.1 |
0.3 |
0.372 |
0 |
0 |
0 |
0.000 |
25 |
|
[20O]B:601 |
9 |
1 |
602 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
21039 |
68.1 |
0.4 |
0.365 |
0 |
0 |
0 |
0.000 |
Average: |
68.1 |
0.4 |
0.368 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]A:608 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
21117 |
57.4 |
1.3 |
0.721 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]A:606 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
21117 |
56.5 |
1.2 |
0.189 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:607 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
21039 |
56.4 |
1.2 |
0.191 |
1 |
0 |
0 |
0.000 |
Average: |
56.5 |
1.2 |
0.190 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
[PO4]B:602 |
5 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
21039 |
45.8 |
-1.9 |
0.853 |
2 |
0 |
0 |
0.025 |
24 |
30 |
|
[PO4]A:603 |
5 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
21117 |
45.8 |
-1.8 |
0.860 |
2 |
0 |
0 |
0.024 |
25 |
31 |
|
[EDO]A:611 |
4 |
1 |
185 |
f |
[PO4]B:604 |
x,y,z |
1_555 |
4 |
1 |
188 |
34.6 |
-1.3 |
0.986 |
1 |
0 |
0 |
0.016 |
26 |
32 |
|
[EDO]B:607 |
4 |
1 |
185 |
f |
[PO4]A:604 |
x,y,z |
1_555 |
4 |
1 |
188 |
34.3 |
-1.4 |
0.986 |
1 |
0 |
0 |
0.016 |
27 |
33 |
|
[EDO]A:605 |
3 |
1 |
185 |
f |
[PO4]A:602 |
x,y,z |
1_555 |
4 |
1 |
188 |
33.6 |
-0.6 |
0.986 |
1 |
0 |
0 |
0.009 |
28 |
34 |
|
[EDO]B:605 |
3 |
1 |
183 |
f |
[PO4]B:603 |
x,y,z |
1_555 |
4 |
1 |
187 |
32.6 |
-0.6 |
0.986 |
1 |
0 |
0 |
0.009 |
29 |
35 |
|
[PO4]B:603 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21039 |
30.3 |
-1.4 |
0.832 |
1 |
0 |
0 |
0.016 |
30 |
36 |
|
[PO4]A:602 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
21117 |
29.5 |
-1.4 |
0.830 |
1 |
0 |
0 |
0.016 |
31 |
37 |
|
[EDO]B:607 |
2 |
1 |
185 |
f |
[20O]A:601 |
x,y,z |
1_555 |
3 |
1 |
600 |
28.5 |
0.5 |
0.595 |
1 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:611 |
2 |
1 |
185 |
f |
[20O]B:601 |
x,y,z |
1_555 |
3 |
1 |
602 |
28.3 |
0.5 |
0.594 |
1 |
0 |
0 |
0.000 |
Average: |
28.4 |
0.5 |
0.594 |
1 |
0 |
0 |
0.000 |
32 |
39 |
|
A |
2 |
1 |
21039 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
21117 |
27.1 |
-0.5 |
0.326 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[EDO]A:611 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
21039 |
26.3 |
1.5 |
0.981 |
1 |
0 |
0 |
0.000 |
41 |
|
[EDO]B:607 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
21117 |
26.3 |
1.5 |
0.983 |
0 |
0 |
0 |
0.000 |
Average: |
26.3 |
1.5 |
0.982 |
1 |
0 |
0 |
0.000 |
34 |
42 |
|
[EDO]A:609 |
2 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
21117 |
25.3 |
0.5 |
0.862 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
[EDO]B:606 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
21039 |
24.8 |
0.5 |
0.837 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[PO4]A:603 |
4 |
1 |
189 |
f |
[20O]A:601 |
x,y,z |
1_555 |
4 |
1 |
600 |
19.3 |
-0.9 |
0.514 |
0 |
0 |
0 |
0.008 |
37 |
45 |
|
[EDO]B:607 |
3 |
1 |
185 |
◊ |
[PO4]B:603 |
x,y,z |
1_555 |
3 |
1 |
187 |
18.3 |
-0.5 |
0.996 |
0 |
0 |
0 |
0.004 |
38 |
46 |
|
[PO4]B:602 |
4 |
1 |
189 |
f |
[20O]B:601 |
x,y,z |
1_555 |
4 |
1 |
602 |
18.2 |
-0.9 |
0.522 |
0 |
0 |
0 |
0.008 |
39 |
47 |
|
[EDO]A:611 |
3 |
1 |
185 |
◊ |
[PO4]A:602 |
x,y,z |
1_555 |
3 |
1 |
188 |
18.0 |
-0.5 |
0.996 |
0 |
0 |
0 |
0.004 |
40 |
48 |
|
[PO4]B:602 |
3 |
1 |
189 |
◊ |
[PO4]A:602 |
x,y,z |
1_555 |
3 |
1 |
188 |
15.4 |
-1.5 |
0.992 |
0 |
0 |
0 |
0.014 |
41 |
49 |
|
[PO4]B:603 |
3 |
1 |
187 |
◊ |
[PO4]A:603 |
x,y,z |
1_555 |
3 |
1 |
189 |
14.8 |
-1.4 |
0.992 |
0 |
0 |
0 |
0.013 |
42 |
50 |
|
B |
5 |
2 |
21117 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
21039 |
12.1 |
0.6 |
0.764 |
0 |
0 |
0 |
0.000 |
43 |
51 |
|
[PO4]A:604 |
2 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21117 |
9.3 |
-0.2 |
0.948 |
0 |
0 |
0 |
0.002 |
44 |
52 |
|
[PO4]B:604 |
2 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21039 |
9.1 |
-0.2 |
0.946 |
0 |
0 |
0 |
0.002 |
45 |
53 |
|
[EDO]A:611 |
1 |
1 |
185 |
f |
[PO4]B:602 |
x,y,z |
1_555 |
4 |
1 |
189 |
8.5 |
-0.2 |
0.999 |
0 |
0 |
0 |
0.002 |
46 |
54 |
|
[EDO]B:607 |
1 |
1 |
185 |
f |
[PO4]A:603 |
x,y,z |
1_555 |
3 |
1 |
189 |
8.0 |
-0.2 |
0.996 |
0 |
0 |
0 |
0.001 |
47 |
55 |
|
[EDO]A:607 |
1 |
1 |
186 |
f |
[PO4]A:603 |
x,y,z |
1_555 |
1 |
1 |
189 |
4.4 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
[EDO]A:606 |
1 |
1 |
185 |
f |
[PO4]B:602 |
x,y,z |
1_555 |
1 |
1 |
189 |
4.1 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
[PO4]B:604 |
1 |
1 |
188 |
f |
[20O]B:601 |
x,y,z |
1_555 |
1 |
1 |
602 |
0.8 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
[PO4]A:604 |
1 |
1 |
188 |
f |
[20O]A:601 |
x,y,z |
1_555 |
1 |
1 |
600 |
0.3 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
|