Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFPVELDNVTVAYHKKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYKDQRTRIGYVPQRGSVDWDFPTSPLDVVLMG-RYGRIGLLKRPKKADVEMAKAALTKVGMHDYAKRQISQLSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKIA-FGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE 4U02 Chain:C ((19-234)) -----------------VLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERT-------------------

General information: TITO was launched using: RESULT: Template: 4U02.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1081 -60863 -56.30 -284.40 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.71 3D Compatibility (PKB) : -56.30 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_4U02.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U02-query.scw PDB file : Tito_Scwrl_4U02.pdb: