Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKQVKISGKSKENMSLLKHLKGDVQGKELVIEDSIVNERWKQVLKEKIDIEHDLFNYQKNREISKVPFLPVDRLITNDEVEDILNTLTEVLPTGKF-TSGPYLEQFEKVLSTYLHKRYVIATSSGTDAIMIGLLALGLNPGDEVIMPANSFSATENAVLASGGVPIYVDINPQTFCIDPDKIEEAITPYTKFILPVHLYGKHSDMQHIRQIANRYKLKVIEDACQGIGLTD----LGKYADITTLSFNPYKNFGVCGKAGAIATDNEELAKKCIQFSYHGFEVNVKNKKVINFGFNSKMDNLQAAIGLERMKYLSLNNFKRLFLADRYITQLAELQNKGYIELPEL--SEDHVWHLFPIKVRTE---DRADIMTKLNEDFGVQTDVYYPILSHMQKTPLVQDKYAGLQLVHTEKAHSQVLHLPLYPSFTLEEQDRVMEGLFHVIKQEIGV 3DR4 Chain:A ((39-391)) ------------------------------------------------------------------------------------RDYVLECMDTTWISSVGRFIVEFEKAFADYCGVKHAIACNNGTTALHLALVAMGIGPGDEVIVPSLTYIASANSVTYCGATPVLVDNDPRTFNLDAAKLEALITPRTKAIMPVHLYGQICDMDPILEVARRHNLLVIEDAAEAVGATYRGKKSGSLGDCATFSFFGNAIITTG-EGGMITTNDDDLAAKMRLLRGQGMDPNR-RYWFPIVGFNYRMTNIQAAIGLAQLERVDEHLAARERVVGWYEQKLARLGNR--VTKPHVALTGRHVFWMYTVRLGEGLSTTRDQVIKDLDA-LGIESRPVFHP-MHIMPPYAH---LATDDLKIAEACGVDGLNLPTHAGLTEADIDRVIAALDQVLV-----

General information: TITO was launched using: RESULT: Template: 3DR4.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 : 2037 -247391 -121.45 -721.26 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -121.45 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_3DR4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DR4-query.scw PDB file : Tito_Scwrl_3DR4.pdb: