Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHQVRCAVLGLGRLGYYHAKNLVTSVPGAKLVCVGDPLKGRAEQVARELGIEKWSEDPYEVLEDPGIDAVIIVTPTSTHGDMIIKAAENGKQIFVEKPLTLSLEESKAASEKVKE-TGVICQVGFMRRFDPAYADAKRRIDAGEIGKPIYYKGFTRDQGAPPAEFIKH-----SGGIFIDCSIHDYDIARYLLGAEITSVSGHGRILNNPFMEQYGDVDQALTYIEFDSGAAGDVEASRTSPYGHDIRAEVIGTEGSIFIGTLRH---QHVTILSAKGSSFDIIPDFQTRFHEAYCLELQHFAECVRNGKTPIVTDIDATINLEVGIAATNSFRNGMPVQLDVKRAYTGM 3CEA Chain:A ((9-346)) ----LRAAIIGLGRLGERHARHLVNKIQGVKLVAACALDSNQLEWAKNELGVETTYTNYKDMIDTENIDAIFIVAPTPFHPEMTIYAMNAGLNVFCEKPLGLDFNEVDEMAKVIKSHPNQIFQSGFMRRYDDSYRYAKKIVDNGDIGKIIYMRGYGIDPISGMESFTKFATEADSGGIFVDMNIHDIDLIRWFTGQDPVQAYGLTSNIAAPQLADIGEFETGVAQLKMSDGVIATLIGGRHAAHGNQVELEVMGSNGWVRIG--EHPDLNRVTVFNDQGVVRPSLQSFGERFDTAFTDEVQDFVNNVIVGKQPEVTVDDGIKALKIAKACQQSANIGKLVDIQL-------

General information: TITO was launched using: RESULT: Template: 3CEA.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 : 1826 -195890 -107.28 -595.41 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -107.28 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_3CEA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CEA-query.scw PDB file : Tito_Scwrl_3CEA.pdb: