Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGQTPARHYYKKLVPSLILILNCIQFLSHPTKADPILLAFVFAVYLAFIWIIPYVASTAVSLSIFIGLWLLTDFFWAVSGQEQGAAYFLIVFLMIYAAFRLPSRLSLIFTACLIGGNILLLSSQGGSLNTIISNISIMLGLYVLFSSMRFRREARREAERNHAELAKMHVQLEHAHKELQKAHAELQEASVLSLRYAVLEERTRIARDIHDSIGHELTSVIVQLQSLPYILKSSKEDSEKVIQNVLSVARECLQEVRSVVHQMGRSESMVGLTALRGLIHQVEERSGLHVSLDTAGL----SEESWPPNVS---ETIYRI-LQEALTNIIRHADASHAAAVISNDKSHLYVTITDDGQFTG---SLTYGFGLTGMKERAEKAGGSLTFSAVQPSGLKIELSLPLMTTNKEQKDEQR 3GIE Chain:B ((25-214)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LEERQRIARDLEDTLGQKLSLIGLKSDLARKLIYKDPEQAARELKSVQQTARTSLNEVRKIVS------SMK-IRLKDELIN-------IKQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWKEVVITVSDDGTFKGEENSFSKGHGLLGMRERLEFANGSLHIDT--ENGTKLTMAIP-------------

General information: TITO was launched using: RESULT: Template: 3GIE.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 : 555 8705 15.68 48.90 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : 15.68 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.360

(partial model without unconserved sides chains): PDB file : Tito_3GIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GIE-query.scw PDB file : Tito_Scwrl_3GIE.pdb: