## |
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 |
|
G |
95 |
10 |
3878 |
◊ |
F |
x,y,z |
1_555 |
104 |
34 |
17595 |
874.0 |
-14.1 |
0.443 |
18 |
0 |
0 |
0.599 |
2 |
|
B |
87 |
10 |
4094 |
◊ |
A |
x,y,z |
1_555 |
113 |
36 |
17695 |
872.1 |
-15.4 |
0.362 |
22 |
0 |
0 |
0.599 |
Average: |
873.0 |
-14.8 |
0.402 |
20 |
0 |
0 |
0.599 |
2 |
3 |
|
C |
86 |
10 |
4023 |
◊ |
A |
x,y,z |
1_555 |
98 |
33 |
17695 |
712.7 |
-12.6 |
0.550 |
19 |
0 |
0 |
0.471 |
3 |
4 |
|
H |
86 |
10 |
3295 |
◊ |
F |
x,y,z |
1_555 |
100 |
34 |
17595 |
707.6 |
-13.3 |
0.530 |
18 |
0 |
0 |
0.288 |
4 |
5 |
|
C |
65 |
16 |
4023 |
◊ |
B |
x,y,z |
1_555 |
68 |
15 |
4094 |
676.4 |
-10.5 |
0.636 |
46 |
0 |
0 |
1.000 |
5 |
6 |
|
F |
68 |
23 |
17595 |
x |
F |
-x,y-1/2,-z-1 |
2_544 |
76 |
26 |
17595 |
667.4 |
-3.6 |
0.499 |
5 |
1 |
0 |
0.000 |
7 |
|
A |
69 |
24 |
17695 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
70 |
23 |
17695 |
605.8 |
-2.2 |
0.572 |
4 |
2 |
0 |
0.000 |
Average: |
636.6 |
-2.9 |
0.535 |
5 |
2 |
0 |
0.000 |
6 |
8 |
|
H |
62 |
14 |
3295 |
◊ |
G |
x,y,z |
1_555 |
62 |
14 |
3878 |
615.1 |
-9.4 |
0.637 |
41 |
0 |
0 |
0.843 |
7 |
9 |
|
C |
44 |
3 |
4023 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
46 |
13 |
17595 |
402.1 |
-1.3 |
0.784 |
5 |
0 |
0 |
0.000 |
8 |
10 |
|
F |
26 |
7 |
17595 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
17695 |
227.3 |
0.4 |
0.680 |
4 |
1 |
0 |
0.000 |
9 |
11 |
|
F |
20 |
6 |
17595 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
21 |
8 |
17695 |
184.4 |
0.2 |
0.667 |
2 |
0 |
0 |
0.000 |
10 |
12 |
|
C |
20 |
4 |
4023 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
21 |
6 |
17695 |
171.6 |
-4.8 |
0.295 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
H |
17 |
3 |
3295 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
22 |
8 |
17595 |
162.4 |
-5.5 |
0.280 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
G |
18 |
3 |
3878 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
20 |
7 |
17595 |
153.6 |
-3.9 |
0.405 |
7 |
0 |
0 |
0.000 |
13 |
15 |
|
B |
20 |
4 |
4094 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
14 |
4 |
17595 |
152.2 |
-2.1 |
0.552 |
4 |
0 |
0 |
0.000 |
14 |
16 |
|
[DPO]A:903 |
9 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
17695 |
127.2 |
-0.2 |
0.476 |
6 |
0 |
0 |
0.069 |
15 |
17 |
|
G |
15 |
4 |
3878 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
17695 |
113.3 |
-2.9 |
0.426 |
2 |
0 |
0 |
0.000 |
16 |
18 |
|
C |
15 |
1 |
4023 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
16 |
3 |
3878 |
99.6 |
-0.3 |
0.661 |
1 |
0 |
0 |
0.000 |
17 |
19 |
|
H |
11 |
3 |
3295 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
17695 |
97.2 |
-1.4 |
0.562 |
3 |
0 |
0 |
0.000 |
18 |
20 |
|
[PO4]F:904 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
20 |
10 |
17595 |
83.7 |
-5.0 |
0.697 |
3 |
0 |
0 |
0.122 |
19 |
21 |
|
A |
6 |
2 |
17695 |
x |
A |
x,y-1,z |
1_545 |
8 |
3 |
17695 |
80.5 |
-2.4 |
0.093 |
0 |
0 |
0 |
0.000 |
22 |
|
F |
3 |
1 |
17595 |
x |
F |
x,y-1,z |
1_545 |
2 |
1 |
17595 |
36.8 |
-0.6 |
0.320 |
0 |
0 |
0 |
0.000 |
Average: |
58.6 |
-1.5 |
0.207 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[DPO]A:903 |
5 |
1 |
263 |
◊ |
C |
x,y,z |
1_555 |
9 |
1 |
4023 |
60.3 |
-0.2 |
0.510 |
0 |
0 |
0 |
0.004 |
21 |
24 |
|
[PO4]F:903 |
5 |
1 |
189 |
f |
F |
x,y,z |
1_555 |
15 |
10 |
17595 |
60.0 |
-3.7 |
0.811 |
3 |
0 |
0 |
0.096 |
22 |
25 |
|
F |
8 |
3 |
17595 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
1 |
4094 |
57.0 |
1.8 |
0.815 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[PO4]F:903 |
4 |
1 |
189 |
◊ |
H |
x,y,z |
1_555 |
9 |
1 |
3295 |
43.2 |
-2.7 |
0.745 |
0 |
0 |
0 |
0.036 |
24 |
27 |
|
[MG]H:901 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
7 |
2 |
3295 |
34.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.157 |
25 |
28 |
|
[PO4]F:904 |
4 |
1 |
188 |
f |
[PO4]F:903 |
x,y,z |
1_555 |
4 |
1 |
189 |
33.8 |
-3.1 |
0.973 |
0 |
0 |
0 |
0.060 |
26 |
29 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
17595 |
30.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.113 |
30 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17695 |
30.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
30.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.113 |
27 |
31 |
|
[MG]F:902 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
3295 |
29.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.051 |
28 |
32 |
|
[MG]A:902 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
4023 |
28.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.078 |
29 |
33 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
17695 |
27.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.095 |
34 |
|
[MG]F:901 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
17595 |
25.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
26.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.095 |
30 |
35 |
|
[DPO]A:903 |
4 |
1 |
263 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.056 |
31 |
36 |
|
[MG]A:901 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
4023 |
22.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.069 |
32 |
37 |
|
[MG]F:901 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
3295 |
20.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.037 |
33 |
38 |
|
[PO4]F:903 |
1 |
1 |
189 |
◊ |
[MG]H:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.043 |
34 |
39 |
|
C |
1 |
1 |
4023 |
◊ |
H |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
2 |
3295 |
18.2 |
-1.8 |
0.239 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[PO4]F:904 |
3 |
1 |
188 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.047 |
36 |
41 |
|
[PO4]F:903 |
3 |
1 |
189 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.047 |
37 |
42 |
|
[PO4]F:904 |
3 |
1 |
188 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3295 |
16.1 |
-1.4 |
0.594 |
0 |
0 |
0 |
0.019 |
38 |
43 |
|
F |
2 |
1 |
17595 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
17695 |
14.9 |
-0.0 |
0.380 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[PO4]F:904 |
3 |
1 |
188 |
◊ |
[MG]H:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.030 |
40 |
45 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.057 |
41 |
46 |
|
G |
1 |
1 |
3878 |
x |
G |
x,y-1,z |
1_545 |
2 |
1 |
3878 |
11.2 |
0.1 |
0.341 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.038 |
43 |
48 |
|
[MG]H:901 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
17595 |
10.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
44 |
49 |
|
[DPO]A:903 |
3 |
1 |
263 |
f |
[MG]A:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
45 |
50 |
|
[MG]H:901 |
1 |
1 |
98 |
◊ |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
46 |
51 |
|
[PO4]F:903 |
2 |
1 |
189 |
f |
[MG]F:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
47 |
52 |
|
[PO4]F:904 |
1 |
1 |
188 |
f |
[MG]F:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
48 |
53 |
|
[MG]H:901 |
1 |
1 |
98 |
◊ |
[MG]F:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|