Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKKIAIVTGASSGFGLLAAVKLA----RSFFVIATSRQPEKAEQLRELAAAHNVS-DSIHITALDVTDEQSIVSFGKAVSAYAPIDLLVNNAGTAYGGFIEDVPMEHFRQQFETNVFGVIHVTKTVLPYIRKHGGAKIINVSSISGLTGFPALSPYVSSKHALEGFSESLRIELLPFGIETALIEPGSYKTSIWSTSLSNFMSV--PADDSAYHQYYKKILSYVQKNGEESGDPQEVADLIYQLATKQHIKNLRYPIGKGIKLTLLFRSLFPWSAWESILKKKLFS 3KLP Chain:X ((2-253)) --RTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSLETLQLDVRDSKSVAAARERVTE-GRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTVRMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVHLSLIECGPVH---------SPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAE-VFLTALRAPKPTLRY-------------------------------

General information: TITO was launched using: RESULT: Template: 3KLP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1132 -31143 -27.51 -131.96 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain X : 0.72 3D Compatibility (PKB) : -27.51 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_3KLP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KLP-query.scw PDB file : Tito_Scwrl_3KLP.pdb: