| ## |
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 |
|
C |
125 |
31 |
19457 |
◊ |
B |
x,y,z |
1_555 |
147 |
39 |
19241 |
1282.6 |
-12.4 |
0.357 |
14 |
6 |
0 |
0.458 |
2 |
|
F |
142 |
36 |
19215 |
◊ |
E |
x,y,z |
1_555 |
126 |
31 |
19063 |
1256.0 |
-13.7 |
0.279 |
14 |
7 |
0 |
0.458 |
3 |
|
B |
123 |
30 |
19241 |
◊ |
A |
x,y,z |
1_555 |
139 |
38 |
19375 |
1253.8 |
-13.1 |
0.303 |
15 |
6 |
0 |
0.458 |
4 |
|
C |
137 |
39 |
19457 |
◊ |
A |
x,y,z |
1_555 |
126 |
31 |
19375 |
1251.6 |
-11.9 |
0.360 |
14 |
6 |
0 |
0.458 |
5 |
|
F |
124 |
30 |
19215 |
◊ |
D |
x,y,z |
1_555 |
145 |
40 |
19110 |
1245.4 |
-13.2 |
0.273 |
12 |
3 |
0 |
0.458 |
6 |
|
E |
135 |
34 |
19063 |
◊ |
D |
x,y,z |
1_555 |
127 |
33 |
19110 |
1228.2 |
-13.5 |
0.275 |
12 |
7 |
0 |
0.458 |
| Average: |
1252.9 |
-13.0 |
0.308 |
14 |
6 |
0 |
0.458 |
| 2 |
7 |
|
C |
35 |
10 |
19457 |
◊ |
A |
x-1,y+1,z |
1_465 |
29 |
9 |
19375 |
280.4 |
0.0 |
0.741 |
2 |
3 |
0 |
0.000 |
8 |
|
F |
29 |
7 |
19215 |
◊ |
E |
x-1,y,z |
1_455 |
28 |
8 |
19063 |
261.9 |
2.4 |
0.898 |
1 |
5 |
0 |
0.000 |
9 |
|
B |
30 |
10 |
19241 |
◊ |
A |
x-1,y,z |
1_455 |
34 |
10 |
19375 |
256.8 |
0.2 |
0.770 |
3 |
4 |
0 |
0.000 |
10 |
|
F |
27 |
8 |
19215 |
◊ |
D |
x,y-1,z |
1_545 |
32 |
9 |
19110 |
254.6 |
0.4 |
0.770 |
2 |
4 |
0 |
0.000 |
11 |
|
D |
27 |
9 |
19110 |
◊ |
E |
x-1,y+1,z |
1_465 |
32 |
11 |
19063 |
252.5 |
-0.4 |
0.671 |
2 |
3 |
0 |
0.000 |
12 |
|
B |
32 |
11 |
19241 |
◊ |
C |
x,y-1,z |
1_545 |
26 |
9 |
19457 |
243.1 |
0.3 |
0.774 |
1 |
1 |
0 |
0.000 |
| Average: |
258.2 |
0.5 |
0.771 |
2 |
3 |
0 |
0.000 |
| 3 |
13 |
|
F |
14 |
5 |
19215 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
19241 |
122.4 |
-1.7 |
0.366 |
0 |
0 |
0 |
0.000 |
| 4 |
14 |
|
[PO4]E:801 |
5 |
1 |
189 |
f |
E |
x,y,z |
1_555 |
18 |
9 |
19063 |
108.5 |
-9.1 |
0.538 |
7 |
0 |
0 |
0.094 |
| 5 |
15 |
|
[PO4]C:801 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
19457 |
108.3 |
-8.9 |
0.557 |
8 |
0 |
0 |
0.095 |
| 6 |
16 |
|
[PO4]B:801 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
19241 |
108.2 |
-8.8 |
0.569 |
9 |
0 |
0 |
0.193 |
17 |
|
[PO4]A:801 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
19375 |
106.4 |
-8.8 |
0.551 |
8 |
0 |
0 |
0.193 |
| Average: |
107.3 |
-8.8 |
0.560 |
9 |
0 |
0 |
0.193 |
| 7 |
18 |
|
[PO4]F:801 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
16 |
9 |
19215 |
107.6 |
-8.8 |
0.534 |
8 |
0 |
0 |
0.095 |
| 8 |
19 |
|
[PO4]D:801 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
19110 |
103.5 |
-8.8 |
0.485 |
10 |
0 |
0 |
0.101 |
| 9 |
20 |
|
D |
7 |
2 |
19110 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
19241 |
78.1 |
-0.6 |
0.495 |
0 |
0 |
0 |
0.000 |
21 |
|
F |
7 |
4 |
19215 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
19375 |
76.7 |
-0.6 |
0.426 |
0 |
0 |
0 |
0.000 |
| Average: |
77.4 |
-0.6 |
0.460 |
0 |
0 |
0 |
0.000 |
| 10 |
22 |
|
A |
6 |
2 |
19375 |
◊ |
C |
x,y-1,z |
1_545 |
8 |
3 |
19457 |
66.3 |
0.7 |
0.813 |
0 |
0 |
0 |
0.000 |
23 |
|
D |
8 |
3 |
19110 |
◊ |
F |
x-1,y+1,z |
1_465 |
6 |
2 |
19215 |
64.3 |
0.8 |
0.817 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
6 |
2 |
19241 |
◊ |
A |
x-1,y+1,z |
1_465 |
7 |
3 |
19375 |
62.6 |
0.8 |
0.820 |
0 |
0 |
0 |
0.000 |
25 |
|
F |
7 |
3 |
19215 |
◊ |
E |
x,y-1,z |
1_545 |
6 |
2 |
19063 |
62.5 |
1.1 |
0.856 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
6 |
2 |
19110 |
◊ |
E |
x-1,y,z |
1_455 |
7 |
3 |
19063 |
62.1 |
0.9 |
0.838 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
7 |
3 |
19241 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
2 |
19457 |
60.9 |
0.7 |
0.806 |
0 |
0 |
0 |
0.000 |
| Average: |
63.1 |
0.8 |
0.825 |
0 |
0 |
0 |
0.000 |
| 11 |
28 |
|
[MG]D:802 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
19110 |
52.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.181 |
29 |
|
[MG]C:802 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
19457 |
50.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.181 |
30 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
19241 |
50.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.181 |
31 |
|
[MG]F:802 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
19215 |
49.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.181 |
32 |
|
[MG]A:802 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
19375 |
47.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.181 |
33 |
|
[MG]E:802 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
19063 |
46.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.181 |
| Average: |
49.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.181 |
| 12 |
34 |
|
D |
4 |
3 |
19110 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
19457 |
36.4 |
-1.0 |
0.169 |
0 |
0 |
0 |
0.000 |
35 |
|
E |
2 |
1 |
19063 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
19375 |
34.0 |
-0.9 |
0.188 |
0 |
0 |
0 |
0.000 |
| Average: |
35.2 |
-0.9 |
0.178 |
0 |
0 |
0 |
0.000 |
| 13 |
36 |
|
[MG]D:802 |
1 |
1 |
98 |
f |
[PO4]D:801 |
x,y,z |
1_555 |
4 |
1 |
187 |
30.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.061 |
37 |
|
[MG]F:802 |
1 |
1 |
98 |
f |
[PO4]F:801 |
x,y,z |
1_555 |
1 |
1 |
188 |
22.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.061 |
| Average: |
26.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.061 |
| 14 |
38 |
|
[MG]A:802 |
1 |
1 |
98 |
f |
[PO4]A:801 |
x,y,z |
1_555 |
1 |
1 |
188 |
22.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.050 |
39 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
[PO4]B:801 |
x,y,z |
1_555 |
1 |
1 |
187 |
21.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
22.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.050 |
| 15 |
40 |
|
[MG]C:802 |
1 |
1 |
98 |
f |
[PO4]C:801 |
x,y,z |
1_555 |
1 |
1 |
187 |
20.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.024 |
| 16 |
41 |
|
[MG]E:802 |
1 |
1 |
98 |
f |
[PO4]E:801 |
x,y,z |
1_555 |
2 |
1 |
189 |
20.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.023 |
|