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

General information: TITO was launched using: RESULT: Template: 1FDS.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 : 1166 -39144 -33.57 -163.10 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -33.57 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_1FDS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1FDS-query.scw PDB file : Tito_Scwrl_1FDS.pdb: