Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVIVLAGTIGAGKSSLTEMMAEHFDSQAFYESIDDNEVLPLFYANPEQYAFLLQIYFLNKRFASIKQAMKDDNNVLDRSIYEDSLLFHLNADLGRATETEVRVYDELLEN-MMEELPYAAHKKHPDLLVHIRVSFDTMLERIEKRGRSYEQLSFDPSLYDYYKELNRRYDQWYEEYKESPKIQIDGDRYNFVEDPQAKEEVLKMIEEKLAEIRQTKVAI 2JAQ Chain:A ((3-171)) ---IAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLK------NIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLEN------KLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGE----EYWETLNKNYEEFYKQ--------------------------------------------

General information: TITO was launched using: RESULT: Template: 2JAQ.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 : 642 -35752 -55.69 -229.18 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -55.69 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_2JAQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JAQ-query.scw PDB file : Tito_Scwrl_2JAQ.pdb: