Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQPVRVAVTGAAGQIGYSLLFRIASGEMLGKDQPVILQLLEVPVEKAQQALKGVMMELDDCAFPLLAGMIGTDDPKVAFKDADYALLVGSRPRGPGMERADLLKVNGEIFIGQGQALNEVASRDVKVLVVGNPANTNAYIAMKSAPDLPAKNFTAMLRLDHNRALTQVAQKAGVVVADIEKLTVWGNHSPTMYADYRFATANGESLKDKINDPAWNKDVFLPTVGKRGAAIIEARGLSSAASAANAAIDHMRDWALGTNGKWVTMGVPSDGSYGIPEGVMFGFPVTTENGEYKIVQGLEIDEFSRERINFTLNELEEERAAIADMVK 1B8P Chain:A ((3-328)) -KTPMRVAVTGAAGQICYSLLFRIANGDMLGKDQPVILQLLEIPNEKAQKALQGVMMEIDDCAFPLLAGMTAHADPMTAFKDADVALLVGARPRGPGMERKDLLEANAQIFTVQGKAIDAVASRNIKVLVVGNPANTNAYIAMKSAPSLPAKNFTAMLRLDHNRALSQIAAKTGKPVSSIEKLFVWGNHSPTMYADYRYAQIDGASVKDMINDDAWNRDTFLPTVGKRGAAIIDARGVSSAASAANAAIDHIHDWVLGTAGKWTTMGIPSDGSYGIPEGVIFGFPVTTENGEYKIVQGLSIDAFSQERINVTLNELLEEQNGVQHLL-

General information: TITO was launched using: RESULT: Template: 1B8P.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 : 1786 -204586 -114.55 -627.56 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.94 3D Compatibility (PKB) : -114.55 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.608

(partial model without unconserved sides chains): PDB file : Tito_1B8P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1B8P-query.scw PDB file : Tito_Scwrl_1B8P.pdb: