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 4XYH Chain:A ((44-409)) ------------EALEWPSLTVEWF--PGSE-DNSSIQKLLLGTQTS-GNDQNYLQVASVQLPT-----LDIVQKIHHEGDVNKARFMPQNPDI---IATLGLNGNGYIFDLNLYREQPIVQTGHQACLRHHTSEGFGLGWNFIQEGTLATGTEDTSICVWDIKGKSLSLEKSI-DVAPVSVYHRHTAVVNDLQFHLQH--EALLTSVSDDCTLQIHDTRLPSSSSASQCVKAHEQPVNGVAFNPFNDYLLATASADH-TVALWDLRRLNQRLHTLEGHEDEVYNVQWSPHDEPILVTSSTDRRVCVWDLSKIGEEQTVEDSEDGAPELMFMHGGHTNRVSDLSWNPNNKWVLASLADDNILQIWSP

General information: TITO was launched using: RESULT: Template: 4XYH.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 : 1825 27156 14.88 86.48 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 14.88 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.375

(partial model without unconserved sides chains): PDB file : Tito_4XYH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XYH-query.scw PDB file : Tito_Scwrl_4XYH.pdb: