Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFPVELDNVTVAYHK-KPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYK-----DQRTRIGYVPQRGSVDWDFPTSPLDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMHDYA-------KRQISQ----LSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKIAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE 3NH6 Chain:A ((54-261)) ---IEFENVHFSYADGRETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVL---FNDTIADNI---RYGRV-------TAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCAN-RTTIVVAHRLSTVVNA-DQILVI-----------------------------------------

General information: TITO was launched using: RESULT: Template: 3NH6.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 : 859 -37544 -43.71 -196.56 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -43.71 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.603

(partial model without unconserved sides chains): PDB file : Tito_3NH6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NH6-query.scw PDB file : Tito_Scwrl_3NH6.pdb: