Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFMTESRLTHLKQLEAESIHIIREVAAEFENPVMLYSIGKDSAVMLHLA--LKAFYPAKLPFPLLHVDTGWKFKDMIAFRDNMAKTHGFDLIVHQ-----NKEGREA--GINPFDHGSSKYTDIMKTQALKQALDKYQFDAAFGGARRDEEKSRAKERVYSFRDSKHRWDPKNQRPELWNLYNGKVNKGESIRVFPLSNWTELDIWQYIYLENIQIVPLYFSAVRPVVERSGTLIMVDDERMRLKEGEVPQMKSVRFRTLGCYPLTGAVESEADTLPEIIQEMLLATSSERQGRMIDHDEAGSMEKKKQEGYF 4BWV Chain:A ((42-229)) ----QARDARLQHLEAQALETLQKTVENFEKPAFPCALIAGDVVILDLLHRIGAFSDNKVK--IIFIDTFHLFPETYKFLSEVEERYGFKAHVFHAADVNNKEAYDAKFGSDLFITDIEEYDRICKVEPFSRALKTLEVDAMINGRRRDHGAERAHLEVF--------------------------EEGKMVKVQPLAYWEFRDCWDYLTKYSLPYHPLH---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BWV.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 : 744 -27317 -36.72 -152.61 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -36.72 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.506

(partial model without unconserved sides chains): PDB file : Tito_4BWV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BWV-query.scw PDB file : Tito_Scwrl_4BWV.pdb: