## |
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 |
451 |
109 |
21286 |
◊ |
A |
x,y,z |
1_555 |
444 |
110 |
21324 |
3984.2 |
-37.3 |
0.015 |
76 |
17 |
0 |
0.871 |
2 |
2 |
|
[1QS]A:601 |
30 |
1 |
625 |
f |
A |
x,y,z |
1_555 |
60 |
20 |
21324 |
423.0 |
-0.7 |
0.374 |
1 |
0 |
0 |
0.038 |
3 |
|
[1QS]B:601 |
30 |
1 |
625 |
f |
B |
x,y,z |
1_555 |
61 |
19 |
21286 |
420.4 |
-1.2 |
0.325 |
2 |
0 |
0 |
0.038 |
Average: |
421.7 |
-0.9 |
0.350 |
2 |
0 |
0 |
0.038 |
3 |
4 |
|
A |
43 |
14 |
21324 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
50 |
18 |
21286 |
412.2 |
1.9 |
0.729 |
8 |
5 |
0 |
0.000 |
4 |
5 |
|
B |
32 |
9 |
21286 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
28 |
8 |
21286 |
298.3 |
-1.5 |
0.335 |
5 |
0 |
0 |
0.000 |
6 |
|
A |
31 |
8 |
21324 |
x |
A |
-x,y-1/2,-z |
2_545 |
32 |
9 |
21324 |
293.8 |
-2.4 |
0.295 |
2 |
0 |
0 |
0.000 |
Average: |
296.1 |
-2.0 |
0.315 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
24 |
6 |
21324 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
6 |
21286 |
212.8 |
-3.2 |
0.191 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
[EDO]B:604 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
21286 |
111.4 |
3.7 |
0.609 |
4 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:606 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
21324 |
110.0 |
3.7 |
0.612 |
4 |
0 |
0 |
0.000 |
Average: |
110.7 |
3.7 |
0.611 |
4 |
0 |
0 |
0.000 |
7 |
10 |
|
[EDO]A:608 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
21324 |
108.0 |
3.9 |
0.464 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[EDO]A:605 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
21324 |
101.0 |
4.4 |
0.771 |
4 |
0 |
0 |
0.000 |
9 |
12 |
|
[EDO]B:607 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
21286 |
100.7 |
4.4 |
0.779 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
[EDO]A:607 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
21324 |
100.0 |
3.5 |
0.515 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
[PO4]B:602 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
21286 |
93.3 |
-2.9 |
0.948 |
4 |
0 |
0 |
0.056 |
12 |
15 |
|
[PO4]A:603 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
21324 |
91.2 |
-3.1 |
0.944 |
4 |
0 |
0 |
0.057 |
13 |
16 |
|
[PO4]A:602 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
21324 |
88.5 |
-4.2 |
0.802 |
5 |
0 |
0 |
0.076 |
14 |
17 |
|
[PO4]B:603 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
21286 |
87.1 |
-4.3 |
0.798 |
5 |
0 |
0 |
0.078 |
15 |
18 |
|
[EDO]B:605 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
21324 |
84.8 |
1.9 |
0.423 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]B:605 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
21286 |
83.7 |
1.5 |
0.358 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]B:611 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
21286 |
81.8 |
2.2 |
0.240 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]A:604 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
21324 |
81.4 |
2.1 |
0.416 |
2 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:606 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
21286 |
81.4 |
2.1 |
0.417 |
2 |
0 |
0 |
0.000 |
Average: |
81.4 |
2.1 |
0.416 |
2 |
0 |
0 |
0.000 |
19 |
23 |
|
[1QS]B:601 |
13 |
1 |
625 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
21324 |
81.2 |
-0.2 |
0.372 |
0 |
0 |
0 |
0.005 |
24 |
|
[1QS]A:601 |
13 |
1 |
625 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
21286 |
80.1 |
-0.2 |
0.370 |
0 |
0 |
0 |
0.005 |
Average: |
80.6 |
-0.2 |
0.371 |
0 |
0 |
0 |
0.005 |
20 |
25 |
|
[EDO]B:608 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
21286 |
78.0 |
2.2 |
0.258 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]B:610 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21324 |
76.2 |
1.4 |
0.184 |
1 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]B:610 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
21286 |
74.6 |
2.0 |
0.264 |
2 |
0 |
0 |
0.000 |
23 |
28 |
|
[EDO]B:609 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
21286 |
68.4 |
1.8 |
0.243 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[EDO]B:611 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21324 |
63.5 |
1.5 |
0.238 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[EDO]B:606 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
21324 |
56.4 |
1.1 |
0.190 |
1 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:604 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
21286 |
56.4 |
1.1 |
0.530 |
1 |
0 |
0 |
0.000 |
Average: |
56.4 |
1.1 |
0.360 |
1 |
0 |
0 |
0.000 |
26 |
32 |
|
[EDO]B:609 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
21324 |
54.3 |
0.8 |
0.518 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[PO4]B:603 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
21324 |
43.3 |
-1.9 |
0.847 |
2 |
0 |
0 |
0.033 |
28 |
34 |
|
[PO4]A:602 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
21286 |
42.1 |
-1.8 |
0.858 |
2 |
0 |
0 |
0.032 |
29 |
35 |
|
[EDO]A:605 |
3 |
1 |
185 |
f |
[PO4]A:603 |
x,y,z |
1_555 |
4 |
1 |
189 |
36.5 |
-0.8 |
0.986 |
1 |
0 |
0 |
0.015 |
30 |
36 |
|
[EDO]B:607 |
3 |
1 |
184 |
f |
[PO4]B:602 |
x,y,z |
1_555 |
4 |
1 |
189 |
36.4 |
-0.7 |
0.986 |
1 |
0 |
0 |
0.013 |
31 |
37 |
|
[PO4]B:602 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21324 |
31.4 |
-1.5 |
0.843 |
1 |
0 |
0 |
0.024 |
32 |
38 |
|
[PO4]A:603 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
21286 |
30.5 |
-1.5 |
0.844 |
1 |
0 |
0 |
0.023 |
33 |
39 |
|
[PO4]A:602 |
4 |
1 |
187 |
f |
[1QS]A:601 |
x,y,z |
1_555 |
5 |
1 |
625 |
23.4 |
-1.1 |
0.592 |
0 |
0 |
0 |
0.013 |
34 |
40 |
|
[PO4]B:603 |
4 |
1 |
188 |
f |
[1QS]B:601 |
x,y,z |
1_555 |
4 |
1 |
625 |
23.0 |
-1.1 |
0.586 |
0 |
0 |
0 |
0.013 |
35 |
41 |
|
[EDO]B:608 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
21324 |
20.0 |
0.5 |
0.878 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[PO4]B:603 |
3 |
1 |
188 |
◊ |
[PO4]A:603 |
x,y,z |
1_555 |
3 |
1 |
189 |
16.8 |
-1.6 |
0.992 |
0 |
0 |
0 |
0.019 |
37 |
43 |
|
A |
1 |
1 |
21324 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
21286 |
16.8 |
0.6 |
0.693 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[PO4]B:602 |
3 |
1 |
189 |
◊ |
[PO4]A:602 |
x,y,z |
1_555 |
3 |
1 |
187 |
15.9 |
-1.6 |
0.992 |
0 |
0 |
0 |
0.018 |
39 |
45 |
|
B |
3 |
2 |
21286 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
21324 |
10.0 |
0.4 |
0.788 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[EDO]A:604 |
1 |
1 |
184 |
f |
[PO4]B:603 |
x,y,z |
1_555 |
1 |
1 |
188 |
4.0 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[EDO]B:606 |
1 |
1 |
186 |
f |
[PO4]A:602 |
x,y,z |
1_555 |
1 |
1 |
187 |
3.6 |
-0.0 |
0.894 |
0 |
0 |
0 |
0.000 |
|