Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSFMHSKAVIFSFTMAFFLILAACSGKNEADSKDTGWEQIKDKGKIVVATSGTLYPTSYHDTDSGSDKLTGYEVEVVREAAKRLGLKVEFKEMGIDGMLTAVNSGQVDAAANDIDVTKDREEKFAFSTPYKYSYGTAIVRKDDLSGIKTLKDLKGKKAAGAATTVYMEVARK-YGAKEVIYDNATNEQYLKDVANGRTDVILNDYYLQTLALAAFPDLNITIHPDIKYMPNKQALVMKKSNAALQKKMNEALKEMSKDGSLTKLSKQFFNKADVSKKIDADVQDVDL 2PVU Chain:A ((41-263)) -------------------------------------------KKKVVVGTDAAFAPFEYMQ----KGKIVGFDVDLLDAVMKAAGLDYELKNIGWDPLFASLQSKEVDMGISGITITDERKQSYDFSDPYFEATQVILVKQG--SPVKNALDLKGKTIGVQNATTGQEAAEKLFGKGPHIKKFETTVVAIMELLNGGVDAVITDNAVANEYVKNNPNKKLQVIEDPKNFASEYYGMIFPKNSELKAKVDEALKNVINSGKYTEIYKKWFGK----------------

General information: TITO was launched using: RESULT: Template: 2PVU.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 : 1186 -101641 -85.70 -457.84 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -85.70 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.587

(partial model without unconserved sides chains): PDB file : Tito_2PVU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PVU-query.scw PDB file : Tito_Scwrl_2PVU.pdb: