Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFPVELDNVTVAYHKKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYK-----DQRTRIGYVPQRGSVDWDFPTSPLDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMHDYA-------KRQISQ----LSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKIAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE 3NHA Chain:A ((54-261)) ---IEFENVHFSYADRETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVL---FNDTIADNI---RYGRV-------TAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCAN-RTTIVVAHRLSTVVNA-DQILVI-----------------------------------------

General information: TITO was launched using: RESULT: Template: 3NHA.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 : 896 -64550 -72.04 -337.96 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -72.04 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_3NHA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NHA-query.scw PDB file : Tito_Scwrl_3NHA.pdb: