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 4ZS9 Chain:A ((25-344)) --------------------------------QVTLDFFQFKAEAADWFKQAAQEFEKENPDIRININN-------LRTRFVKDRVPDVIT-FNGDYSFGTFAASGVFHDFTDDPLVSELNEGMVNIAKNLVQTSDPAKKRLYGLPFAGNASGYIYNKDLFRKVGLDPDNPPQTWDEFIAMLKKFRDAGINPVQATLADAWT----TQAPLASLAGTLVPESEYAALKSGDTTFKQIWTEPIEKE----IELFKYADSEK----GVTYQQGTQNFAKGTAAIIPLGTYAIPQITMVNKDIDLGFAQMPATNDASKQILTAGDDVILTMGANSRHKEQSMRFIRFLMSKKQLENYADAQSAITPLK---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZS9.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 : 1500 26020 17.35 87.32 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 17.35 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_4ZS9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZS9-query.scw PDB file : Tito_Scwrl_4ZS9.pdb: