Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQILEHIVGIANDLLWSKLLIVLLLSFGIYFTFRLKFLQVRMLKEMVRVLREGAASRSKNSISPFQAFCISMAARVGTGNITGIAIAIALGGPGAIFWMWIIAIIGSASSFVESTLAQIYKVKDVNGFRGGPAYYMEKGLNKRWMGALFAVLITLSFGIVFNSVQSNTVSLAFENAFGT--NRL---TLGLILIAVFGTIIFGGVKRIAKLAESIVVVLAVLYIGVAFFVIFS-NITQLPGVLALIVKNAFGFDQAAGGALGAALMQGVRRGIFSNEAGMGSAPNAAATATTSHPVKQGLIQAFGVLTDTLVICTSTAFIILFSDAYHTPGLSGIALTQASLSSHVGSWASGFLAILILLFGFCALIGNYYYGETNIGFLNKSK----------KLIFVYRIGVLAMIVFGC--VA--------KVQLVWDLADLFMGLMVIVNLIAIFLLSKVVFTALKDYTRQKKAGKDPVFYKDVLKNHNGIECWPVSDTKTDTHNKQIS 3L1L Chain:A ((7-378)) -----------------------------------------------------------AHKVGLIPVTLMVSGAIMGSGVFLLPANLASTG-GIAIYGWLVTIIGALGLSMVYAKMSFLDPS------PGGSYAYARRCFGP-FLGYQTNVLYWLA-CWIGNIAMVVIGVGYLSYFFPILKDPWVLTITCVVVLWIFVLLNIVGPKMITRVQAVATVLALIPIVGIAVFGWFWFRGETYMA-------------A---------IQSTLNVTLWS-F--IGVESASVAAGVVKNPKRNVPIATIGGVLIAAVCYVLSTTAIMGMIPNAALRVSASPFGDAAR-MALGDTAGAIVSFCAAAGCLGSLGGWTLLAGQTAKAAADDGLFPPIFARVNKAGTPVAGLIIVGILMTIFQLSSISPNATKEFGLVSSVSVIFTLVPYLYTCAALLLLGHG-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3L1L.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 : 1894 -278433 -147.01 -831.14 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -147.01 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.342

(partial model without unconserved sides chains): PDB file : Tito_3L1L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3L1L-query.scw PDB file : Tito_Scwrl_3L1L.pdb: