Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQILEHIVGIANDLLWSKLLIVLLLSFGIYFTFRLKFLQVRMLKEMVRVLREGAASRSKNSISPFQAFCISMAARVGTGNITGIAIAIALGGPGAIFWMWIIAII-GSASSFVESTLAQIYK-VKDVNGFRGGPAYYMEKGLNKRWMGALFAVLITLSFGI--VFNSVQSNTVSLAFENAFG-----TNRLTLGLILIAVFGTIIFGGVKRIAKLAESIVVVLAVLYIGVAFFVIFSNITQLPGVLALIVKNAFGFDQAAGGALGAALMQGVRRGIFSNEAGMGSAPNAAATATTSHPVKQGLIQAFGVLTDTLVICTSTAFIILFSDAYHTPGLS-G--IALTQASLSSHVG--SWASGFLAILILLFGFCALIGNYYYGETNIGFLNKSK----------KLIFVYRIGVLAMIVFG--CV--A------KVQLVW--DLADLFMGLMVIVNLIAIFLLSKVVFTALKDYTRQKKAGKDPVFYKDVLKNHNGIECWPVSDTKTDTHNKQIS 4DJK Chain:A ((12-421)) -------------------------------------------------------------QLTLLGFFAITASMVMAVY--EYP--TFATSGFSLVFFLLLGGILWFIPVGLCAAEMATVDGW---------GVFAWVSNTLGPR-WGFAAISFGYLQIAIGFIPMLYFVLGALSYILKWPALNEDPITKTIAALIILWALALTQFGGTKYTARIAKVGFFAGILLPAFILIALAAIYLH-----------TFFPDFSK------VGTLVVFVAFILS-Y--MGVEASATHVNEMSNPGRDYPLAMLLLMVAAICLSSVGGLSIAMVIPGNEINLSAGVMQTFTV-LMSHVAPEIEWTVRVISALLLLGVLAEIASWIVGPSRGMYVTAQKNLLPAAFAKMNKNGVPVTLVISQLVITSIALIILTNTGGGNNMSFLIALALTVVIYLCAYFMLFIGYIVLVLKHP-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 4DJK.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 : 1524 -275933 -181.06 -823.68 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -181.06 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.298

(partial model without unconserved sides chains): PDB file : Tito_4DJK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DJK-query.scw PDB file : Tito_Scwrl_4DJK.pdb: