Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKKIAIVTGASSGFGLLAAVKLA----RSFFVIATSRQPEKAEQLRELAAAHNVS-DSIHITALDVTDEQSIVSFGKAVSAYAPIDLLVNNAGTAYGGFIEDVPMEHFRQQFETNVFGVIHVTKTVLPYIRKHGGAKIINVSSISGLTGFPALSPYVSSKHALEGFSESLRIELLPFGIETALIEPGSYKTSIWSTSLSNFMSV--PADDSAYHQYYKKILSYVQKNGEESGDPQEVADLIYQLATKQHIKNLRYPIGKGIKLTLLFRSLFPWSAWESILKKKLFS 1QYW Chain:A ((2-253)) --RTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSLETLQLDVRDSKSVAAARERVTE-GRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTVRMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVHLSLIECGPVHT--------SPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAE-VFLTALRAPKPTLRY-------------------------------

General information: TITO was launched using: RESULT: Template: 1QYW.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 : 1145 -32052 -27.99 -135.24 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -27.99 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_1QYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QYW-query.scw PDB file : Tito_Scwrl_1QYW.pdb: