Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDREKQQLSIEAARLYYQSDYSQQQIAEQLNISRPTVSRLLQYAKEKGYVQIRVMDPFEDLDALGSILEEKYGLLEAHVVFSPTPDYAGITHDLSRYGAEYMHETVKDGDIVGVSWGTTMYQIAQNMQPK-QVKGVEVVQLKGGISHS-RVNTYSAETIQLFAEAFQTMPRYLPLPVVFDNADVKRMVEKDRHIERIIEMGKQANIALFTVGTVRDEALLFRLGYFNEEE-KALLKKQAVGDICSRFFDAKGNICSSAINDRTIGVELQDLRLKERSILVAGGSRKVSSIHGALTGKYANVLIIDQHTARALVNDL 2W48 Chain:A ((6-315)) ----DIRLIVKIAQLYYEQDMTQAQIARELGIYRTTISRLLKRGREQGIVTIAINYDYNENLWLEQQLKQKFGLKEAVVASS----EEEQLSAMGQHGALLVDRLLEPGDIIGFSWGRAVRSLVENLPQRSQSRQVICVPIIGGPSGKLESRYHVNTLTYGAAARLKAESHLADFPALLDNPLIRNGIMQSQHFKTISSYWDSLDVALVGIGSPAIRDGANWHAFYGSEESDDLNARHVAGDICSRFYDINGGLVDTNMSEKTLSIEMAKLRQARYSIGIAMGEEKYSGILGALHGRYINCLVTNRETAELLLK--

General information: TITO was launched using: RESULT: Template: 2W48.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 : 1578 -69135 -43.81 -228.17 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -43.81 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_2W48.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W48-query.scw PDB file : Tito_Scwrl_2W48.pdb: