Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKDDKIKMALDLLPKSMFEAIDLLPDASTPVTLFTRHSLRELVDGQG-LAG-YDLQLTPQGRELAQEWGSYLIKNTDRVIQHCISSPIQRCVDTAALMIEGADGVSPEPNTHTIEIVEQGLLVEPGSFVLDIQQAAPYFRKQGALGFINSFVN---NTLPGMKHPITGVLDVLELIYQTHPKT---------KSGLSLAVSHDTIIAAIVAVISGNNQIQKADWPAMMEGLFVWFEGDEFPNCKLKWIWRGKTYELNVSEFHKVQ 4PZA Chain:B ((2-194)) ----------------------------RARRLVMLRHGQTDY-NVGSRMQGQLDTELSELGRTQAVAAAEVLGKR---QPLLIVSSDLRRAYDTAVKLGERTG---LV-----V--RVDTRLRETHLGDWQGLTHAQIDADAP--GARLAWREDATWAPHGGESRVDVAARSRPLVA-ELVASEPEWGGADEPDRPVVLVAHGGLIAALSAALLKLPVANWPALGGMGNASWTQLSG----------------------------

General information: TITO was launched using: RESULT: Template: 4PZA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 851 1983 2.33 11.08 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : 2.33 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_4PZA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PZA-query.scw PDB file : Tito_Scwrl_4PZA.pdb: