Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPHYWPDMPFDYLEWLVPVLPESWLISLYEQAKAQK--TTHLHDDPYVRPVIRIS---DKIAVKCGHGV---APGEAATQQYAYQHLDRRVVRVPRVYRYFQVKS-NSSWPIGYIFMEYIPGKTLEEVDLNNDDISKRLADIVSELATVSGGAIPGQINGGTLEGYLWGDDGTK--DVFRS-VDDMNHWLNRRLKLLNKEIDLRPYPLVLCHLDLCRRNIKLLDDDSLCLLDWGHSGFFPRFYEVAAAQCINDD-------GAYIRSLSNAVKNKANLSEDEEKCVWLILRARAASLRYIFEPRENNLRTLADIESLPPLPPLPPVEPLPHK 2PPQ Chain:A ((6-273)) ------------------DITEDELRNFLTQYDVGSLTSYKGIAE---NSNFLLHTTKDPLILTLYEK-KNDLPFFLGLMQHLAAK----GLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP---EAKHCREVGKALAAMHLASEGFE-IKRPN-ALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHW-PKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSA--------------------------------------

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 1037 -7195 -6.94 -29.61 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -6.94 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.356

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: