Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIAIAAITATSILALSACSSGDKEVIAKTDAGDVTKGELYTNMKKTAGASVLTQLVQEKVLDKKYKVSDKEIDNKLKEYKTQLGDQYTALEKQYGKDYLKEQVKYELLTQKAAKDNIKVTDADIKEYWEGLKGKIRASHILVAD---------------------KKTAEEVEKKLKKGEK-FEDLAKEYSTDSSASKGGDLGWFAKEGQMDETFSKAAFKL-KTGEVSDPVKTQYGYHIIKKTEERGKYDDMKKELKSEVLEQKLNDNAAVQEAVQKVMKKADIEVKDKDLKDTFNTSSTSNSTSSSSSNSK 1PIN Chain:A ((45-163)) ------------------------------------------------------------------------------------------------------------------------------GKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAF-SRGQMQKPFEDASFALR-TGEMSGPVFTDSGIHIILRTE--------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1PIN.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 : 425 -36411 -85.67 -379.28 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -85.67 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.624

(partial model without unconserved sides chains): PDB file : Tito_1PIN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PIN-query.scw PDB file : Tito_Scwrl_1PIN.pdb: