Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MDAAIDGRAQSAEERMLRDALGEQLEGELRIISREPFGGGALTGFEELSPQARYWYVDTSGKRVEAETGFVLGDPGRPDARIWLHPADPRLPALAPASFPAAAATLMGRLGVSIDRPPELLVYRPGKRAMFRMRAGERETYLKIVRPSASGSI--------VELQESLRAGGVPVPHITGWSELGIVLTETADGVPLTSRLAELEPDRLLDSIDALRERIAAVDTGRDARASLALRHDWYLARIDAALARAAEGDPAVAPS-AVLRDHLAAVTAVVTGADASALVVDEAERRTIHGDLHVGQLFVDADDASAIAGVIDIDTAG-LGDPADDEAALIAHLIASIALARRDEGRSAGFRRLLDAAAARWLAPGR-PGR------ARVAHRTAVHVLAHALAPIERGDLETAEVELALGRDILRDADERPLI------------------------------------------ 1ITW Chain:A ((2-741)) STPKIIYTLTDEAPALATYSLLPIIKAFTGSSGIAVETRDISLAGRLIATFPEYLTDTQKISDDLAELGKLATTPDANIIKLPNISASVPQLKAAIKELQQQGYKLPDYPEEPKTDTEKDVKARYDKIKGSAVNPVLREGNSDRRAPLSVKNYARKHPHKMGAWSADSKSHVAHMDNGDFYGSEKAALIGAPGSVKIELIAKDGSSTVLKAKTSVQAGEIIDSSVMSKNALRNFIAAEIEDAKKQGVLLSVHLKATMMKVSDPIMFGQIVSEFYKDALTKHAEVLKQIGFDVNNGIGDLYARIKTL-PEAKQKEIEADIQAVYAQRPQLAMVNSDKG--ITNLHVPSDV----IVDASMPAMIRDSGKMWGPDGKLHDTKAV------IPDRCYAGVYQVVIEDCKQHG-AFDPTTMGSVPNVG---LMAQKAEEYGSHDKTFQIPADGVVRVTDESGKLLLEQSVEAGDIWRMCQAKDAPIQDWVKLAVNRARATNTPAVFWLDPARAHDAQVIAKVERYLKDYD-TSGLDIRILSPVEATRFSLARIREGKDTISVTGNVLRDYLTDLFPIMELGTSAKM-------LSIVPLMSGGGLFETGAGGSAPKHVQQFLEEGYLRWDSLGEFLALAASLEHLGNAYKN-PKALVLASTLDQATGKILDNNKSPARKVGEIDNRGSHFYLALYWAQALAA-QTEDKELQAQFTGIAKALTDN--ETKIVGELAAAQGKPVDIAGYYHPNTDLTSKAMRPSATFNAALAPLA

General information: TITO was launched using: RESULT: Template: 1ITW.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 : 1537 35696 23.22 93.20 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 23.22 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.222

(partial model without unconserved sides chains): PDB file : Tito_1ITW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1itw-query.scw PDB file : Tito_Scwrl_1ITW.pdb: