Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCMGRLAVNLSMIFTEVPLIERFALAHAEGFEHVEIQFPYELAISDIQDQLERYNLNLCLINVPAGDLMQGGNGLAGIPGQEAAFREALQLAIRYATALKVPRVNILAGKQPQDSDLLPCLKTLASNLKLACDLLTEHDIEPVFEMINGTDMPRFLVQNIAQAQEMLEAVNHPALKMQYDCYHMAMMGEDVLEGLQENIHQIGHIQFADCPGRHEPDTAQIPYEQIFSWIKQSAYEGYIAAEYKPKNGSNQSFTWKKKYFSDDVNI 3NGF Chain:A ((9-264)) --MPRFAANLSTMFNEVPFLERFRLAAEAGFGGVEFLFPYDFDADVIARELKQHNLTQVLFNMPPGDWAAGERGMAAISGREQEFRDNVDIALHYALALDCRTLHAMSGIT-EGLDRKACEETFIENFRYAADKLAPHGITVLVEPLNTRNMPGYFIVHQLEAVGLVKRVNRPNVAVQLDLYHAQIMDGDLTRLIEKMNGAFSHVQIASVPDRHEPDEGELNYPYLFSVLESVGYRGWVGCEYNPRGKTESGLAWFAPY-------

General information: TITO was launched using: RESULT: Template: 3NGF.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 : 1422 -183943 -129.36 -718.53 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -129.36 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_3NGF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NGF-query.scw PDB file : Tito_Scwrl_3NGF.pdb: