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Prime User Manual - ISP

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18<br />

Chapter 3: <strong>Prime</strong>–Structure Prediction: Initial Steps<br />

3.1 Input Sequence Step<br />

This step is used to read in an amino acid sequence from a file or from a protein structure in the<br />

Workspace.<br />

To read a sequence from a file:<br />

• Click From File and specify a file containing the desired sequence.<br />

Several file formats are supported, including FASTA, EMBL, GENBANK, and PIR. For a<br />

complete list, see Appendix C. File formats are auto-detected by the program. Sequences<br />

must be in standard uppercase one-letter code.<br />

To read a sequence from the Workspace:<br />

• Click From Workspace to read sequences from proteins in the Workspace.<br />

If there are multiple chains with the same sequence, the sequence will be read in only<br />

once.<br />

After input, the Sequences table in the Step View area shows all available unique sequences<br />

with their corresponding chain lengths in the order in which they are read. By default, the first<br />

sequence read in is displayed in the sequence viewer in the upper section of the panel. If<br />

multiple sequences have been read in, only one can be brought forward to the next step in a<br />

given <strong>Prime</strong> run.<br />

To select a query from the Sequences table:<br />

• Click on a sequence to select it for this run.<br />

This brings the selected sequence into the sequence viewer. The sequences are named by<br />

extracting the name from either the PDB header or the FASTA file header. Non-unique<br />

sequences are ignored. Non-unique names are modified to make them unique.<br />

Note: Sequences longer than 1,000 residues generally include more than one domain. Divide<br />

these sequences into probable domains and treat each domain as an individual query.<br />

To continue:<br />

• When you are satisfied with the query sequence, click Next to go to the Find Homologs<br />

step.<br />

If an error message appears when you click Next, you cannot proceed until the problem is<br />

resolved. Error messages are listed in Appendix D. See Section D.1 on page 127 for help<br />

with Input Sequence error messages.<br />

<strong>Prime</strong> 2.1 <strong>User</strong> <strong>Manual</strong>

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