Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDREKQQLSIEAARLYYQSDYSQQQIAEQLNISRPTVSRLLQYAKEKGYVQIRVMDPFEDLDALGSILEEKYGLLEAHVVFSPTPDYAGITHDLSRYGAEYMHETVKDGDIVGVSWGTTMYQIAQNMQP-KQVKGVEVVQLKGGISHS-RVNTYSAETIQLFAEAFQTMPRYLPLPVVFDNADVKRMVEKDRHIERIIEMGKQANIALFTVGTVRDEALLFRLGYFNEEEKALLKKQ-AVGDICSRFFDAKGNICSSAINDRTIGVELQDLRLKERSILVAGGSRKVSSIHGALTGKYANVLIIDQHTARALVNDL 2W48 Chain:A ((4-315)) --SDDIRLIVKIAQLYYEQDMTQAQIARELGIYRTTISRLLKRGREQGIVTIAINYDYNENLWLEQQLKQKFGLKEAVVA----SSEEEQLSAMGQHGALLVDRLLEPGDIIGFSWGRAVRSLVENLPQRSQSRQVICVPIIGGPSGKLESRYHVNTLTYGAAARLKAESHLADFPALLDNPLIRNGIMQSQHFKTISSYWDSLDVALVGIGSPAIRDGANWHAFYGSEESDDLNARHVAGDICSRFYDINGGLVDTNMSEKTLSIEMAKLRQARYSIGIAMGEEKYSGILGALHGRYINCLVTNRETAELLLK--

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 -66733 -42.29 -218.80 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -42.29 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.505

(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: