Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGEIRLIPYVTNEQIMDVNELPEGIKVIKAPEMWAKGVKGKNIKVAVLDTGCDTSHPDLKNQIIGGKNFTDDDGGKEDAISDYNGHGTHVAGTIAANDSNGGIAGVAPEASLLIVKVLGGENGSGQYEWIINGINYAVEQKVDIISMSLGGPSDVPELKEAVKNAVKNGVLVVCAAGNEGDGDERTEELSYPAAYNEVIAVGSVSVARELSEFSNANKEIDLVAPGENILSTLPNKKYGKLTGTSMAAPHVSGALALIKSYEEESFQRKLSESEVFAQLIRRTLPLDIAK-TLAGNGFLYLTAPDELAEKAEQSHLLTL 1R0R Chain:E ((3-274)) --------------------TVPYGIPLIKADKVQAQGFKGANVKVAVLDTGIQASHPDLNVVGG--ASFVAGE----AYNTDGNGHGTHVAGTVAALDNTTGVLGVAPSVSLYAVKVLNS-SGSGSYSGIVSGIEWATTNGMDVINMSLGGASGSTAMKQAVDNAYARGVVVVAAAGNSGNSGS-TNTIGYPAKYDSVIAVGAVDSNSNRASFSSVGAELEVMAPGAGVYSTYPTNTYATLNGTSMASPHVAGAAALILSKHP-----NLSASQVR-NRLSSTA-TYLGSSFYYGKGLINVEAAAQ-------------

General information: TITO was launched using: RESULT: Template: 1R0R.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1999 -186817 -93.46 -689.36 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain E : 0.79 3D Compatibility (PKB) : -93.46 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_1R0R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1R0R-query.scw PDB file : Tito_Scwrl_1R0R.pdb: