Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFPVELDNVTVAYHK-----KPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYK---------DQRTRIGYVPQRGSVDWDFPTSPLDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMH-DYAKRQISQLSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKE-KGKTVLVVHHDLQTAEDYFDWILLLHLRK-IAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE 4HUQ Chain:A ((2-245)) --AIAFEHVTYTYQAGTPMAHTALTDVSLTVPDRGYLAIIGHTGSGKSTLIQQLNALLKPTSGTIKIDEFTITPETTNAALKPLRQHVGMVFQFPENQ-LFEETVRQDIAFGPKNF----GMADADALALADEMLTTVGLDQSYAERSPFELSGGQMRRVAIAGVLAMQPKVLVLDEPTAGLDPQGRQEMMRLFARLHQEQGLTIVLVTHQMEDVAQYAEQVAVMHEGRLMKFGTPADVFSNREWLQDHQL----------------

General information: TITO was launched using: RESULT: Template: 4HUQ.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 : 1161 -24455 -21.06 -107.73 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -21.06 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_4HUQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HUQ-query.scw PDB file : Tito_Scwrl_4HUQ.pdb: