Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRMIRLTDNRPIGFIDSGVGGLTVVKEALKQLPNENILFVGDTARCPYGPRPAEQVIQYTWEMTDYLVEQGIKMLVIACNTATAVALEEIKAALS-IPVIGVILPGTRAAVKKTQNKQVGIIGTIGTVKSQAYEKALKEKVPELTVTSLACPKFVSVVESNEYHSSVAKKIVAETLAPLTTKKIDTLILGCTHYPLLRPIIQNVMGENVQLIDSGAETVGEVSMLLDYFNLSNSPQNGRTLC---QFYTTGSAKLFEEIAEDWLGIGHLNVEHIELGGK 5IJW Chain:B ((9-265)) ------------PIGIFDSGVGGLTVARAIIDQLPDEDIVYVGDTGNGPYGPLTIPQIRAHSLAIGDDLVSRGVKALVIACNTASSACLRDARERYSPVPVVEVILPAVRRAVAATRNGRIGVIGTQATIASGAYQDAFA-AARDTEVFTVACPRFVDFVERGVTSGRQVLGLAEGYLEPLQLAEVDTLVLGCTHYPMLSGLIQLAMGDNVTLVSSAEETAKDLLRVLTELDLLRPHPDDPSVTAVRRFEATGDPEAFTALAARFLG--------------

General information: TITO was launched using: RESULT: Template: 5IJW.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 : 1441 -112794 -78.27 -451.18 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -78.27 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_5IJW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IJW-query.scw PDB file : Tito_Scwrl_5IJW.pdb: