Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLHGKRKEIYKYEAPWTVYAMNWSVRPDKRF------RLALGSFVEEYNNKVQLVGLDEESSEFIC-----RNTFDHPYPTTKLMWIPDTKGVYPDLLATS-GDYLRVWRVGETETRLECLLNNN-KNSDFCAPLTSFDWNEVDPYLLGTSSIDTTCTIWGLETGQVLGRVNLVSGHVKTQLIAHDKEVYDIAFSRAGGGRDMFASVGADGSVRMFDLRHLEHSTIIYE-DPQHHPLLRLCWNKQDPNYLATMAMDGMEVVILDVRVPCTPVARLNNHRACVNGIAWAPHSSCHICTAADDHQALIWDIQQMPRAIE---------DPILAY-TAEGEINNVQWASTQPDWIAIC-YNNCLEILRV 4XYI Chain:A ((44-412)) ------------EALEWPSLTVEWF--PGSERSSIQKLLLGTQTS-GNDQNYLQVASVQLP------YGLDIVQKIHHEGDVNKARFMPQNPDI---IATLGLNGNGYIFDLNLYREQPIVQTGHQACLRHHTSEGFGLGWNFIQEGTLATGTEDTSICVWDIKGKSLSLEKSI-DVAPVSVYHRHTAVVNDLQFHLQH--EALLTSVSDDCTLQIHDTRLPSSSSASQCVKAHEQPVNGVAFNPFNDYLLATASADH-TVALWDLRRLNQRLHTLEGHEDEVYNVQWSPHDEPILVTSSTDRRVCVWDLSKIGEEQTVEDSEDGAPELMFMHGGHTNRVSDLSWNPNNKWVLASLADDNILQIWSP

General information: TITO was launched using: RESULT: Template: 4XYI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1845 23308 12.63 74.23 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 12.63 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_4XYI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XYI-query.scw PDB file : Tito_Scwrl_4XYI.pdb: