## |
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 |
91 |
10 |
4069 |
◊ |
A |
x,y,z |
1_555 |
108 |
35 |
17585 |
890.0 |
-17.2 |
0.350 |
22 |
0 |
0 |
0.596 |
2 |
|
G |
96 |
10 |
4100 |
◊ |
F |
x,y,z |
1_555 |
101 |
35 |
17563 |
841.9 |
-14.6 |
0.432 |
18 |
0 |
0 |
0.596 |
Average: |
866.0 |
-15.9 |
0.391 |
20 |
0 |
0 |
0.596 |
2 |
3 |
|
C |
88 |
10 |
4256 |
◊ |
A |
x,y,z |
1_555 |
100 |
35 |
17585 |
714.7 |
-12.4 |
0.531 |
18 |
0 |
0 |
0.450 |
3 |
4 |
|
F |
70 |
25 |
17563 |
x |
F |
-x,y-1/2,-z-1 |
2_544 |
78 |
26 |
17563 |
703.1 |
-2.7 |
0.552 |
5 |
2 |
0 |
0.000 |
5 |
|
A |
67 |
23 |
17585 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
70 |
24 |
17585 |
625.5 |
-2.9 |
0.533 |
5 |
4 |
0 |
0.000 |
Average: |
664.3 |
-2.8 |
0.542 |
5 |
3 |
0 |
0.000 |
4 |
6 |
|
H |
82 |
10 |
3485 |
◊ |
F |
x,y,z |
1_555 |
101 |
33 |
17563 |
697.4 |
-14.3 |
0.442 |
17 |
0 |
0 |
0.340 |
5 |
7 |
|
C |
66 |
16 |
4256 |
◊ |
B |
x,y,z |
1_555 |
66 |
15 |
4069 |
674.0 |
-10.0 |
0.627 |
47 |
0 |
0 |
1.000 |
6 |
8 |
|
H |
63 |
15 |
3485 |
◊ |
G |
x,y,z |
1_555 |
65 |
15 |
4100 |
665.0 |
-10.2 |
0.612 |
50 |
0 |
0 |
1.000 |
7 |
9 |
|
C |
56 |
4 |
4256 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
69 |
19 |
17563 |
528.1 |
0.7 |
0.814 |
6 |
0 |
0 |
0.000 |
8 |
10 |
|
F |
26 |
7 |
17563 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
17585 |
215.8 |
1.4 |
0.790 |
4 |
2 |
0 |
0.000 |
9 |
11 |
|
H |
24 |
4 |
3485 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
25 |
9 |
17563 |
185.9 |
-5.2 |
0.361 |
3 |
0 |
0 |
0.000 |
10 |
12 |
|
F |
19 |
7 |
17563 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
21 |
8 |
17585 |
183.8 |
0.3 |
0.679 |
3 |
0 |
0 |
0.000 |
11 |
13 |
|
C |
20 |
4 |
4256 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
20 |
6 |
17585 |
176.4 |
-4.9 |
0.270 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
C |
21 |
2 |
4256 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
25 |
4 |
4100 |
165.5 |
-1.0 |
0.624 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
G |
16 |
3 |
4100 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
18 |
7 |
17563 |
161.2 |
-4.0 |
0.364 |
6 |
0 |
0 |
0.000 |
14 |
16 |
|
B |
20 |
4 |
4069 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
16 |
4 |
17563 |
153.5 |
-2.3 |
0.542 |
4 |
0 |
0 |
0.000 |
15 |
17 |
|
[DPO]A:903 |
9 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
30 |
13 |
17585 |
127.4 |
-1.1 |
0.428 |
7 |
0 |
0 |
0.093 |
16 |
18 |
|
G |
14 |
4 |
4100 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
17585 |
111.8 |
-2.9 |
0.417 |
2 |
0 |
0 |
0.000 |
17 |
19 |
|
[PO4]F:904 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
22 |
11 |
17563 |
96.9 |
-5.7 |
0.673 |
3 |
0 |
0 |
0.129 |
18 |
20 |
|
H |
10 |
3 |
3485 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
17585 |
92.4 |
-1.8 |
0.507 |
3 |
0 |
0 |
0.000 |
19 |
21 |
|
A |
5 |
2 |
17585 |
x |
A |
x,y-1,z |
1_545 |
8 |
3 |
17585 |
70.3 |
-1.5 |
0.185 |
0 |
0 |
0 |
0.000 |
22 |
|
F |
3 |
1 |
17563 |
x |
F |
x,y-1,z |
1_545 |
2 |
1 |
17563 |
38.3 |
-0.4 |
0.337 |
0 |
0 |
0 |
0.000 |
Average: |
54.3 |
-1.0 |
0.261 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[PO4]F:903 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
13 |
8 |
17563 |
61.8 |
-4.0 |
0.791 |
3 |
0 |
0 |
0.098 |
21 |
24 |
|
[DPO]A:903 |
5 |
1 |
264 |
◊ |
C |
x,y,z |
1_555 |
9 |
1 |
4256 |
59.2 |
-0.1 |
0.485 |
0 |
0 |
0 |
0.002 |
22 |
25 |
|
F |
6 |
3 |
17563 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
4069 |
59.1 |
1.0 |
0.738 |
3 |
0 |
0 |
0.000 |
23 |
26 |
|
[PO4]F:903 |
4 |
1 |
188 |
◊ |
H |
x,y,z |
1_555 |
9 |
1 |
3485 |
46.3 |
-2.7 |
0.748 |
0 |
0 |
0 |
0.042 |
24 |
27 |
|
G |
6 |
1 |
4100 |
x |
G |
x,y-1,z |
1_545 |
4 |
1 |
4100 |
43.0 |
-0.3 |
0.498 |
1 |
0 |
0 |
0.000 |
28 |
|
B |
2 |
1 |
4069 |
x |
B |
x,y-1,z |
1_545 |
2 |
1 |
4069 |
11.7 |
-0.3 |
0.438 |
0 |
0 |
0 |
0.000 |
Average: |
27.3 |
-0.3 |
0.468 |
1 |
0 |
0 |
0.000 |
25 |
29 |
|
[PO4]F:904 |
4 |
1 |
187 |
f |
[PO4]F:903 |
x,y,z |
1_555 |
4 |
1 |
188 |
36.2 |
-3.3 |
0.973 |
0 |
0 |
0 |
0.060 |
26 |
30 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
17563 |
30.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.107 |
31 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17585 |
29.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
29.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.107 |
27 |
32 |
|
[MG]F:902 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
3485 |
27.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.055 |
28 |
33 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
17585 |
27.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.088 |
34 |
|
[MG]F:901 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
17563 |
26.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
26.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.088 |
29 |
35 |
|
[MG]A:902 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
4256 |
26.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.075 |
30 |
36 |
|
[DPO]A:903 |
5 |
1 |
264 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.050 |
31 |
37 |
|
[MG]A:901 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
4256 |
22.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.068 |
32 |
38 |
|
[MG]F:901 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3485 |
21.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.043 |
33 |
39 |
|
C |
2 |
1 |
4256 |
◊ |
H |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
2 |
3485 |
18.7 |
-1.9 |
0.289 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[PO4]F:903 |
3 |
1 |
188 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.048 |
35 |
41 |
|
[PO4]F:904 |
3 |
1 |
187 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.042 |
36 |
42 |
|
[PO4]F:904 |
3 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3485 |
15.4 |
-1.4 |
0.602 |
0 |
0 |
0 |
0.022 |
37 |
43 |
|
F |
2 |
1 |
17563 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
17585 |
13.7 |
-0.1 |
0.384 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.055 |
39 |
45 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.042 |
40 |
46 |
|
B |
2 |
1 |
4069 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
17585 |
7.5 |
-0.4 |
0.306 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[DPO]A:903 |
3 |
1 |
264 |
f |
[MG]A:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
42 |
48 |
|
F |
1 |
1 |
17563 |
x |
F |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
2 |
17563 |
7.4 |
0.5 |
0.856 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
[PO4]F:903 |
3 |
1 |
188 |
f |
[MG]F:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
44 |
50 |
|
[PO4]F:904 |
1 |
1 |
187 |
f |
[MG]F:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
|