Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTITIAAEEAKELVWQKLDGAGLNERDAEKVADVLVHADLRNVHSHGVLHTEHYVNRLLAGGINPGAQPVFKETGPVTGVLDGDDGFGHVNCDMAMDHAIDMAKKKGVGMVTAVNSSHCGALSYFVQKAADEKLIGMAMTHTDSIVVPFGGRTPILGTNPIAYGVPAKHKKPFILDMATSKVAFGKILQAREEGKEIPEGWGVDENGEAVTDPDK-VVSLSTFGGPKGYGLSIVVDVFSGLLAGAAFGPHIAKMYNGLDQKRKLGHYVCAINPSFFTDWDTFLEQMDAMIDELQQSPPAVGFERVYVPGEIEQLHEERNKKNGISIARSVYEFLKSR 1VBI Chain:A ((1-331)) ---MRWRADFLSAWAEALLRKAGADEPSAKAVAWALVEADLRGVGSHGLLRLPVYVRRLEAGLVNPSPTLPLEE-RGPVALLDGEHGFGPRVALKAVEAAQSLARRHGLGAVGVRRSTHFGMAGLYAEKLAREGFVAWVTTNAEPDVVPFGGREKALGTNPLAFAAPAP-QGILVADLATSESAMGKVFLAREKGERIPPSWGVDREGSPTDDPHRVY-ALRPLGGPKGYALALLVEVLSGVLTGAGVAHGIGRMYDEWDRPQDVGHFLLALDPGRFVGKEAFLERMGALWQALKATPPAPGHEEVFLPGELEARRRERALAEGMALPERVVAELKA-

General information: TITO was launched using: RESULT: Template: 1VBI.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 : 1882 -125225 -66.54 -379.47 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -66.54 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_1VBI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VBI-query.scw PDB file : Tito_Scwrl_1VBI.pdb: