Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIVGALAVFVITYALFSAAGYLFPVDQEWYNSLKKPDWTPSGTAIGIIWAILFALISLSAAIVYAAFSFKGAKSFWFTLLINYVLNQAFSYFQFTQKNLLAASLDCLLVAITAIVLLIIAKKYSRAASYLLLPYFLWSAFATFLSFTINSMNL 4RYI Chain:A ((31-181)) MKK--SSIIVFFLTYGLFYVSSVLFPIDRTWYDALEKPSWTPPGMTIGMIWAVLFGLIALSVAIIYNNYGFK-PKTFWFLFLLNYIFNQAFSYFQFSQKNLFLATVDCLLVAITTLLLIMFSSNLSKVSAWLLIPYFLWSAFATYLSWTIYSIN-

General information: TITO was launched using: RESULT: Template: 4RYI.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 : 596 -113324 -190.14 -750.49 target 2D structure prediction score : 0.86 Monomeric hydrophicity matching model chain A : 0.93 3D Compatibility (PKB) : -190.14 2D Compatibility (Sec. Struct. Predict.) : 0.86 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_4RYI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RYI-query.scw PDB file : Tito_Scwrl_4RYI.pdb: