Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKATQSKAWTTVQIARHPERPQ-FLDYVGEIFTE--FDALHGDRLFGDDGAMVGGLARFDGQPVMVIGQHRGRSTREKLKHNFGMCNPEGYRKSQRLLDMAERFNLPVFTFIDTMGAYPGVGAEERGQAEAIATSLAQLSSLKVPVIATVLGEGGSGGALGIG----VADRVIMLSHSIYSVISPEGCASILWKTAEKA----------AQASEAL--GLTADKLQSLGIVEYVVDEGEGAHLDPERVMQNLKVVLKQALDELLPMDANERCEARYQRLMKFGSENLGMAS 3IAV Chain:A ((283-516)) --------ELDTIVP-DSANQPYDMHSVIEHVLDDAEFFETQPL--FA--PNILTGFGRVEGRPVGIVANQP--------MQFAGCLDITASEKAARFVRTCDAFNVPVLTFVDVPGFLPGVDQEHDGIIRRGAKLIFAYAEATVPLITVITRKAFGGAYVVMGSKHLGADLNLAWPTAQIAVMGAQGAVNILHRRTIADAGDDAEATRARLIQEYEDALLNPYTAAERGYVDAVIM-P-----------SDTRRHIVRGLRQLRTK-------------------------

General information: TITO was launched using: RESULT: Template: 3IAV.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 : 1088 -24625 -22.63 -114.53 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -22.63 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_3IAV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IAV-query.scw PDB file : Tito_Scwrl_3IAV.pdb: