## |
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 |
102 |
11 |
4304 |
◊ |
A |
x,y,z |
1_555 |
113 |
36 |
17484 |
939.8 |
-15.4 |
0.432 |
21 |
0 |
0 |
0.530 |
2 |
|
G |
101 |
11 |
4255 |
◊ |
F |
x,y,z |
1_555 |
107 |
35 |
17448 |
918.6 |
-16.1 |
0.438 |
19 |
0 |
0 |
0.530 |
Average: |
929.2 |
-15.7 |
0.435 |
20 |
0 |
0 |
0.530 |
2 |
3 |
|
C |
85 |
10 |
4294 |
◊ |
A |
x,y,z |
1_555 |
103 |
36 |
17484 |
709.4 |
-13.2 |
0.478 |
15 |
0 |
0 |
0.317 |
3 |
4 |
|
H |
86 |
10 |
3494 |
◊ |
F |
x,y,z |
1_555 |
97 |
35 |
17448 |
701.3 |
-14.6 |
0.458 |
18 |
0 |
0 |
0.416 |
4 |
5 |
|
C |
65 |
16 |
4294 |
◊ |
B |
x,y,z |
1_555 |
68 |
15 |
4304 |
676.7 |
-10.7 |
0.587 |
47 |
0 |
0 |
1.000 |
5 |
6 |
|
H |
68 |
15 |
3494 |
◊ |
G |
x,y,z |
1_555 |
66 |
15 |
4255 |
662.8 |
-10.5 |
0.641 |
48 |
0 |
0 |
1.000 |
6 |
7 |
|
F |
68 |
24 |
17448 |
x |
F |
-x,y-1/2,-z-1 |
2_544 |
76 |
25 |
17448 |
661.8 |
-3.7 |
0.490 |
5 |
0 |
0 |
0.000 |
8 |
|
A |
69 |
24 |
17484 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
76 |
24 |
17484 |
618.1 |
0.2 |
0.709 |
5 |
2 |
0 |
0.000 |
Average: |
640.0 |
-1.8 |
0.599 |
5 |
1 |
0 |
0.000 |
7 |
9 |
|
C |
56 |
4 |
4294 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
64 |
16 |
17448 |
544.1 |
-0.7 |
0.813 |
8 |
0 |
0 |
0.000 |
8 |
10 |
|
F |
23 |
7 |
17448 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
17484 |
180.4 |
0.9 |
0.738 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
F |
18 |
6 |
17448 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
20 |
8 |
17484 |
178.1 |
-0.5 |
0.562 |
2 |
0 |
0 |
0.000 |
10 |
12 |
|
H |
22 |
4 |
3494 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
23 |
8 |
17448 |
176.9 |
-5.9 |
0.224 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
C |
21 |
5 |
4294 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
20 |
7 |
17484 |
172.0 |
-5.1 |
0.258 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
G |
16 |
3 |
4255 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
17 |
6 |
17448 |
157.5 |
-4.2 |
0.355 |
5 |
0 |
0 |
0.000 |
13 |
15 |
|
B |
16 |
4 |
4304 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
16 |
6 |
17448 |
136.4 |
-2.2 |
0.497 |
4 |
0 |
0 |
0.000 |
14 |
16 |
|
C |
16 |
2 |
4294 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
15 |
3 |
4255 |
102.9 |
-0.3 |
0.656 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
H |
11 |
3 |
3494 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
17484 |
93.1 |
-0.6 |
0.627 |
3 |
0 |
0 |
0.000 |
16 |
18 |
|
G |
12 |
4 |
4255 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
17484 |
92.6 |
-3.5 |
0.256 |
1 |
0 |
0 |
0.000 |
17 |
19 |
|
[PO4]A:904 |
5 |
1 |
188 |
cf |
A |
x,y,z |
1_555 |
20 |
9 |
17484 |
86.5 |
-5.9 |
0.682 |
3 |
0 |
0 |
0.127 |
18 |
20 |
|
[PO4]F:903 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
16 |
10 |
17448 |
75.3 |
-4.9 |
0.694 |
3 |
0 |
0 |
0.136 |
19 |
21 |
|
G |
9 |
2 |
4255 |
x |
G |
x,y-1,z |
1_545 |
8 |
2 |
4255 |
74.9 |
-0.8 |
0.530 |
1 |
0 |
0 |
0.000 |
22 |
|
B |
7 |
1 |
4304 |
x |
B |
x,y-1,z |
1_545 |
5 |
1 |
4304 |
65.3 |
-1.3 |
0.438 |
0 |
0 |
0 |
0.000 |
Average: |
70.1 |
-1.0 |
0.484 |
1 |
0 |
0 |
0.000 |
20 |
23 |
|
A |
5 |
2 |
17484 |
x |
A |
x,y-1,z |
1_545 |
8 |
3 |
17484 |
70.5 |
-1.9 |
0.123 |
0 |
0 |
0 |
0.000 |
24 |
|
F |
3 |
1 |
17448 |
x |
F |
x,y-1,z |
1_545 |
2 |
1 |
17448 |
37.1 |
-1.2 |
0.115 |
0 |
0 |
0 |
0.000 |
Average: |
53.8 |
-1.6 |
0.119 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[PO4]A:903 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
17484 |
63.6 |
-3.9 |
0.808 |
4 |
0 |
0 |
0.099 |
22 |
26 |
|
F |
9 |
3 |
17448 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
1 |
4304 |
58.1 |
1.7 |
0.809 |
1 |
0 |
0 |
0.000 |
23 |
27 |
|
[PO4]F:903 |
4 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
9 |
1 |
3494 |
52.2 |
-3.3 |
0.739 |
0 |
0 |
0 |
0.062 |
24 |
28 |
|
[PO4]A:903 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
9 |
1 |
4294 |
47.4 |
-2.9 |
0.727 |
0 |
0 |
0 |
0.046 |
25 |
29 |
|
[PO4]A:904 |
4 |
1 |
188 |
f |
[PO4]A:903 |
x,y,z |
1_555 |
4 |
1 |
188 |
33.8 |
-3.1 |
0.973 |
0 |
0 |
0 |
0.054 |
26 |
30 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17484 |
31.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.105 |
31 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
17448 |
30.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
30.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.105 |
27 |
32 |
|
[MG]F:901 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
17448 |
29.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.089 |
33 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17484 |
26.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
28.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.089 |
28 |
34 |
|
[MG]A:902 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
4294 |
27.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.056 |
29 |
35 |
|
[MG]F:902 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
3494 |
27.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.065 |
30 |
36 |
|
[MG]F:901 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3494 |
23.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.057 |
31 |
37 |
|
[MG]A:901 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
4294 |
21.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.044 |
32 |
38 |
|
[PO4]F:903 |
4 |
1 |
187 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.066 |
33 |
39 |
|
C |
1 |
1 |
4294 |
◊ |
H |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
2 |
3494 |
17.1 |
-1.7 |
0.243 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[PO4]A:903 |
3 |
1 |
188 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.043 |
35 |
41 |
|
[PO4]A:904 |
3 |
1 |
188 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.042 |
36 |
42 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.056 |
37 |
43 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.041 |
38 |
44 |
|
[PO4]A:904 |
1 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
4294 |
11.1 |
-1.2 |
0.492 |
0 |
0 |
0 |
0.018 |
39 |
45 |
|
F |
2 |
1 |
17448 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
17484 |
10.0 |
0.0 |
0.434 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[PO4]F:903 |
2 |
1 |
187 |
f |
[MG]F:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.018 |
41 |
47 |
|
[PO4]A:903 |
2 |
1 |
188 |
f |
[MG]A:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
42 |
48 |
|
[PO4]A:904 |
1 |
1 |
188 |
f |
[MG]A:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|