Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVIDFKQDILAPVATDFAAMDHLINEGISSKVGLVMSVSKHVVEAGGKRMRPIMCLLAARACGLDNMQNAQRLAAIIEMLHTATLVHDDVVDESGLRRGRPTANATWNNQTAVLVGDFLIARAFDLLVDLNNMTLLKDFSTGTCEIAEGEVLQLQSQHQPDTTEETYLKIIHGKTSRLFELATEGAAILAGQ-EAYREPLRLFAGHFGNAFQIIDDILDYTSDAETLGKNIGDDLMEGKPTLPLISALAHSTGEEHAIIRRSIATG-GVDQLPKVIEIVQKSGALDYCQRRAQEETEAALQALSILPDTPYRQALINLTRLALHRIQ 4JXY Chain:A ((28-344)) --------ILSLAEPDMLAVNQLIQKQVNSDVSLINQLGFYIVNSGGKRLRPLLTVLAARALNIQTEQH-HTLAAIIEFIHTATLLHDDVVD---------TANEVFGNQASVLVGDFLYTRSFQMMVTLDSMRVMQILSDATNVIAEGEVLQLMNCNDPDTTEESYMEVIYSKTARLFEAATLLAGVLTKQSEAIENAMQDYGKYLGTAFQLVDDIMDYA----------GDDLAEGKPTLPLLYAMWHGNEQQTAIIREAIETGNGMDNLTPILETMEQTGALTYTKQQALKASQQAIDALSPIEESVYKEALIGLAHISVERV-

General information: TITO was launched using: RESULT: Template: 4JXY.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 : 1497 -100856 -67.37 -340.73 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -67.37 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_4JXY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JXY-query.scw PDB file : Tito_Scwrl_4JXY.pdb: