Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSS----YIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPAL------------------------FTSEDVSRYKEAWKQPGALTAMLNWYRALRKG------SLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ 5AI5 Chain:A ((249-543)) -------------VRLHFVELG--SGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPL---ESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSG-FRGPLNWYRNMERNWKWACKSLGRKI---LIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWL---

General information: TITO was launched using: RESULT: Template: 5AI5.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 : 1400 -163597 -116.86 -626.81 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -116.86 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_5AI5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AI5-query.scw PDB file : Tito_Scwrl_5AI5.pdb: