PDB File
Your PDB file must contain Hydrogens. E.g.
ATOM 1 N ILE 12 -3.275 3.609 -10.344 1.00 57.84
ATOM 2 H ILE 12 -2.575 2.896 -10.197 1.00 0.00
ATOM 3 CA ILE 12 -3.008 5.004 -9.861 1.00 57.61
ATOM 4 HA ILE 12 -3.019 5.682 -10.714 1.00 0.00
Sequence File
E.g.
THR 13
VAL 14
PHE 15
SER 16
XEASY .prot file
E.g.
1 999.000 0.000 N 13
2 999.000 0.000 HN 13
3 999.000 0.000 CA 13
4 999.000 0.000 HA 13
5 999.000 0.000 CB 13
6 999.000 0.000 HB 13
7 999.000 0.000 QG2 13
8 999.000 0.000 HG1 13
9 999.000 0.000 CG2 13
10 999.000 0.000 HG21 13
11 999.000 0.000 HG22 13
12 999.000 0.000 HG23 13
13 999.000 0.000 C 13
14 999.000 0.000 N 14
15 999.000 0.000 HN 14
16 999.000 0.000 CA 14
17 999.000 0.000 HA 14
18 999.000 0.000 CB 14
19 999.000 0.000 HB 14
20 1.277 0.000 QG1 14
21 999.000 0.000 QG2 14
22 17.770 0.005 CG1 14
23 999.000 0.000 HG11 14
XEASY .peaks file
E.g.
# Number of dimensions 3
#INAME 1 C13 (bonded with the H1)
#INAME 2 C13
#INAME 3 H1
2 26.077 26.077 1.604 2 U 1.646e+03 0.00e+00 m 0 1163 1163 1158 0
3 25.759 25.759 1.597 2 U 1.012e+03 0.00e+00 m 0 0 0 0 0
4 23.131 23.131 1.590 2 U 6.725e+03 0.00e+00 m 0 3613 3613 3608 0
5 21.936 21.936 1.583 2 U 3.486e+04 0.00e+00 m 0 1177 1177 1175 0
Other formats
Other formats are not currently supported using the web tool. You may prefer to run MAP-XS locally. Please visit the download page for more details.
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