Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEWYKKIGLLATTGLALFGLGACSNYGKSADGTVTIEYFNQKKEMTKTLEEITRDFEK----ENPKIKVKVVNVPN--AGEVLKTRVLAGDVPDVVNIYPQSIELQEWAKAGVFEDLSNKDY-----LKRVKNGYAEKYAVNEKVYNVPFT-ANAYGIYYNKDKFEELGLKVPETWDEFEQLVKDIVAKGQTPFGIAGADAWTLNGYNQLAFATATGGGKEANQYLRYSQPN-AIKLSDPIMKDDIKVMDILRINGSKQKNWEGAG--YTDVIGAFARGDVLMTPNGSWAITAINEQKP---NFKIGTFMIPGKEKGQS--LTV-GAGDLAWSISATTKHPKEANAFVEYMTRPEVMQKYYDVDGSPTAIEGVKQAG---EDSPLAGMTEYAFTD-RH-L-VWLQQYWTSE-ADFHTLTMNYVLTG-DKEGMVNDLNAFFNPMKADVD 3VXB Chain:A ((38-435)) ----------------------------------TITAMVYGDDAVKVQDKAASRFNASAEAKKANAKVKMERIPASDYPAKLRTAMGSPNAPDIFFNWGGG-SIKAYKEAGQLVDLTDVIKSDEVLSTGFLPSVVAAGSLDGHEYGIPMRGMQPVLLFYNKSVFAEHKLTPPTTWDQLLDNVAKLKKAGVTPFALGGVEIWPELMWLEYLV-DRIGGPQ----VFDKIRNGDASGWGDPAVLKAAQTVKQLVDEGAFGKGFSSVSYNNGGAPALLAKGKAGMHLMGSWEYSTQLGKFPDFAKKDLGWCAFPSFEGGAGDIRNVVGNPCNYWSVNARTGNKDGAIAFLRDCASEAYTKDLID-NGDVPTTTIAENMLDSSPNPEFAKFQYQLVQKAPNFTLSWDQAVDPDWQQPMLTEINKLFVGKSSPEQFVSALKGL---------

General information: TITO was launched using: RESULT: Template: 3VXB.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 : 2096 78612 37.51 213.04 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 37.51 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.376

(partial model without unconserved sides chains): PDB file : Tito_3VXB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VXB-query.scw PDB file : Tito_Scwrl_3VXB.pdb: