Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGEIRLIPYVTNEQIMDVNELPEGIKVIKAPEMWAKGVKGKNIKVAVLDTGCDTSHPDLKNQIIGGKNFTDDDGGKEDAISDYNGHGTHVAGTIAANDSNGGIAGVAPEASLLIVKVLGGENGSGQYEWIINGINYAVEQKVDIISMSLGGPSDVPELKEAVKNAVKNGVLVVCAAGNEGDGDERTEELSYPAAYNEVIAVGSVSVARELSEFSNANKEIDLVAPGENILSTLPNKKYGKLTGTSMAAPHVSGALALIKSYEEESFQRKLSESEVFAQLIRRTLPLDIAKTLAGNGFLYLTAPDELAEKAEQSHLLTL 1YU6 Chain:B ((5-263)) ---------------------VPYGIPLIKADKVQAQGFKGANVKVAVLDTGIQASHPDL--NVVGGASFVAGEAYNTDG----NGHGTHVAGTVAALDNTTGVLGVAPSVSLYAVKVLNSSGSGSY-SGIVSGIEWATTNGMDVINMSLGGASGSTAMKQAVDNAYARGVVVVAAAGNSGN-SGSTNTIGYPAKYDSVIAVGAVDSNSNRASFSSVGAELEVMAPGAGVYSTYPTNTYATLNGTSMASPHVAGAAALILSKHPN-----LSASQVRNRLSST-------ATYLGSSFYY-------------------

General information: TITO was launched using: RESULT: Template: 1YU6.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 : 1794 -154929 -86.36 -598.18 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -86.36 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_1YU6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YU6-query.scw PDB file : Tito_Scwrl_1YU6.pdb: