Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKQVKISGKSKENMSLLKHLKGDVQGKELVIEDSIVNERWKQVLKEKIDIEHDLFNYQKNREISKVPFLPVDRLITNDEVEDILNTLTEVLPTGKFTS-GPYLEQFEKVLSTYLHKRYVIATSSGTDAIMIGLLALGLNPGDEVIMPANSFSATENAVLASGGVPIYVDINPQTFCIDPDKIEEAITPYTKFILPVHLYGKHSDMQHIRQIANRYKLKVIEDACQGIGLTDLGK----YADITTLSFNPYKNFG----VCGKAGAIATDNEELAKKCIQFSYHGFEVNVKNKKVINFGFNSKMDNLQAAIGLERMKYLSLNNFKRLFLADRYITQLAELQNKGYIELPELSEDHVWHLFPIKVR---TEDRADIMTKLNEDFGVQTDVYYPILSHMQKTPLVQDKYAGL---QLVHTEKAHSQVLHLPLYPSFTLEEQDRVMEGLFHVIKQEIGV 3DR4 Chain:B ((44-390)) -----------------------------------------------------------------------------------------ECMDTTWISSVGRFIVEFEKAFADYCGVKHAIACNNGTTALHLALVAMGIGPGDEVIVPSLTYIASANSVTYCGATPVLVDNDPRTFNLDAAKLEALITPRTKAIMPVHLYGQICDMDPILEVARRHNLLVIEDAAEAVGATYRGKKSGSLGDCATFSF-----FGNAIITTGEGGMITTNDDDLAAKMRLLRGQGMDPNRRYWFPI-VGFNYRMTNIQAAIGLAQLERVDEHLAARERVVGWYEQKLARLGNRVTKPHVALTGRHVFWMYTVRLGEGLSTTRDQVIKDLDA-LGIES---RPVFHPMHIMP----PYAHLATDDLKIAEACGVDGLNLPTHAGLTEADIDRVIAALDQVL------

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 B - contact count / total energy / energy per contact / energy per residue : 1889 -230927 -122.25 -695.56 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -122.25 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.460

(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: