Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFPVELDNVTVAYHKKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYKDQRT-------RIGYVPQRGSVDWDFPTSPLDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMHDYAKRQISQLSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMT-LLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKIAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE 3FVQ Chain:B ((5-217)) ---LHIGHLSKSFQNTPVLNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNTNLPVRERRLGYLVQEGVL---FPH--LTVYRNIAYG-LGNGKGRTAQERQRIEAMLELTGISELAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRI------------------------------------

General information: TITO was launched using: RESULT: Template: 3FVQ.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 : 992 -29217 -29.45 -142.52 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -29.45 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_3FVQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FVQ-query.scw PDB file : Tito_Scwrl_3FVQ.pdb: