Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNMTDLKAIQARSLEMAEYFVAFCKEHDLLCYLCGGGAIGALRNKGFIPWDDDLDFFMPRKDYEKLAELWPRYADERYFLSKSHKDFVDRNLFITIRDKKTTCIKPYQQDLDLPHGLALDVLPLDYYPKNPAERKKQVRWALIYSLFCAQTIPEKHGDLMKWGSRILLGLTPKSLRY-RIWKKAEKEMTKYDLADCDGITELCSGPGYMRNKYPITSFEDNLFLPFEGTEMPIPIGYDVYLRTAFGDYMTPPPADKQVPHHDTVIADMDKSYTEYKGEYGG 2XRG Chain:A ((643-783)) -----------------------------------------------------------------------------------------------SIPEHLTNCVRP---DVRVSPGFSQNCLAY--------KNDKQMSYGFLFPPYLSSS-PE-----AKYDAFLVTNMVPMYPAFKRVWAYFQRVLVKKYASERNGVNVI-SGPIFDYNYDGLRDTEDEIKQYVEGSSIPVPTHYYSIITSCL-DFTQ--PADK-------------------------

General information: TITO was launched using: RESULT: Template: 2XRG.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 : 444 -11876 -26.75 -84.83 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -26.75 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.239

(partial model without unconserved sides chains): PDB file : Tito_2XRG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XRG-query.scw PDB file : Tito_Scwrl_2XRG.pdb: