Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------MKSKLSILMIGFALSVLLAACGSNDAKEEKTDTGSKTEATASEGEELYQQSCVGCHGKDLEGVSGPNL-QEVGGKYDEHKIESIIKNGRGNMPK-----GLVDDNEAAVIAKWLSEKK---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 1NIR Chain:A ((6-543)) AAEQYQGAASAVDPAHVVRT---NGAPDM-------------------SESEFNEAKQIYFQRCAGCHGVLRKGATGKPLTPDITQQRGQQYLEALITYGTPLGMPNWGSSGELSKEQITLMAKYIQHTPPQPPEWGMPEMRESWKVLVKPEDRPKKQLNDLDLPNLFSVTLRDAGQIALVDGDSKKIVKVIDTGYAVHISRMSASGRYLLVIGRDARIDMIDLWAKEPTKVAEIKIGIEARSVESSKFKGYEDRYTIAGAYWPPQFAIMDGETLEPKQIVSTRGMTVDTQTYHPEPRVAAIIASHEHPEFIVNVKETGKVLLVNYKDIDNLTVTSIGAAPFLHDGGWDSSHRYFMTAANNSNKVAVIDSKDRRLSALVDVGKTPHPGRGANFVHPKYGPVWSTSHLGDGSISLIGTDPKNHPQYAWKKVAELQGQGGGSLFIKTHPKSSHLYVDTTFNPDARISQSVAVFDLKNLDAKYQVLPIAEWADLGEGAKRVVQPEYNKRGDEVWFSVWNGKNDSSALVVVDDKTLKLKAVVKDPRLITPTGKFNVYNTQHDVY

General information: TITO was launched using: RESULT: Template: 1NIR.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 : 159 10018 63.00 111.31 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 63.00 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_1NIR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NIR-query.scw PDB file : Tito_Scwrl_1NIR.pdb: