Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEWYKKIGLLATTGLALFGLGACSNYGKSADGTVTIEYFNQKKEMTKTLEEITRDFEKENPKIKVKVVNVPNAGEVLKTRVLAGDVPDVVNIYPQSIELQEWAKAGVFEDLS--------NKDYLKRVKNGYAEKYAVNEKVYNVPFTANAYGIYYNKDKFEELGL---KVPETWDEFEQLVKDIVAKGQTPFGIAGADAWTLNGYNQLAFATATGGGKEANQY--LRYSQPNAIKL-SDPIMKDDIKVMDILRINGSKQKNWEGAGYTDVIGAFARGDVLMTPNGSWAITAINEQKPNFKIGTFMIPGKEKGQSLTVGAG-DLAWSISATTKHPKEANAFVEYMTRPEVMQKYYDVDGSPTAIEGVKQAGEDSPLAGMTEYAFTDRHLVWLQQYWTSEADFHTLTMNYVLTGDKEGMVNDLNAFFNPMKADVD 4ZZA Chain:A ((9-327)) ---------------------------------VTLDFFQFKAEAADWFKQAAQEFEKENPDIRININ----------------RVPDVI-TFNGDYSFGTFAASGVFHDFTDDPLVSELNEGMVNIAKNLVQTSDPAKKRLYGLPFAGNASGYIYNKDLFRKVGLDPDNPPQTWDEFIAMLKKFRDAGINPVQATLADAWT----TQAPLASLAGTLVPESEYAALKSGDTTFKQIWTEPIEKE----IELFKYADSEK----GVTYQQGTQNFAKGTAAIIPLGTYAIPQITMVNKDIDLGFAQMPATNDASKQILTAGDDVILTMGANSRHKEQSMRFIRFLMSKKQLENYADAQSAITPLK---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZZA.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 : 1431 26235 18.33 91.09 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 18.33 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_4ZZA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZZA-query.scw PDB file : Tito_Scwrl_4ZZA.pdb: