Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHQVRCAVLGLGRLGYYHAKNLVTSVPGAKLVCVGDPLKGRAEQVARELGIEKWSEDPYEVLEDPGIDAVIIVTPTSTHGDMIIKAAENGKQIFVEKPLTLSLEESKAASEKVKETGVICQVGFMRRFDPAYADAKRRIDAGEIGKPIYYKGFTRDQGAPP---AEFI---KHSGGIFIDCSIHDYDIARYLLGAEITSVSGHGRILNNPFMEQYGDVDQALTYIEFDSGAAGDVEASRTSPYGHDIRAEVIGTEGSI-FIGTLRHQH-VTILSAKGSSFDIIPDFQTRFHEAYCLELQHFAECVRNGKTPI-VTDIDATINLEVGIAATNSFRNGMPVQLDVKRAYTGM 4KOA Chain:A ((1-332)) ---MIRWGLIGASTIAREWVIGAIR-AAGGEVVSVMSSSAERGEAYAAENGIAKAVTSVDDLVGDPDVDAVYISTTNELHHGQALAAIRAGKHVLCEKPLAMNLNDGCEMVLKACEAGVVLGTNHHLRNAATHRAMREAIAAGRIGRPIAARVFHAVYL-PPHLQGWRLDKPEAGGGVILDITVHDADTLRFVLNDDPIEAVAISHSAGMGK---EGLEDGVMGVLRFRSGVIAQFHDAFTTKFA-ETGLEVHGTAGSLIGRNVMTQRPVGTVVL-RN--EEGESELPLDHRNLYETAIAAFHSAIGGNG-RPSASGEDGVWSLATGLAVVKAAATGGAVEIETG------

General information: TITO was launched using: RESULT: Template: 4KOA.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 : 1893 -188959 -99.82 -585.01 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -99.82 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_4KOA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KOA-query.scw PDB file : Tito_Scwrl_4KOA.pdb: