Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSPIVIKPDLAIDLATAGAVVARTGVDGQIAAISLLYGGEISAVYELALAGGLPPLVLKIYPDSMSWKMRKEARM-LDLVRDRLPVPAPRLHLADASRDLI-GLDYVVMSRLAG-DRLGPLEQQLPPPLRQSAFRQVGRLSRAFHDIAMEAFG-YIGPDGVWTAHADNRTYLTVQFDRKLTEFSSRGGAPDLALRIARHVEACSGLFEACAAPVLCHNDLHPGNILARADDDTVTLTGVVDFEGALAGDPLKDVAKALYY--------LSAGQREAFLEGY---GPMTRTEVGATLDIYRLLFSLELWCWYAQFDATDKLAPLI-----ADMELLLRSQ------------ 2PPQ Chain:A ((5-320)) ---------TDITEDELRNFLTQYDVGS----LTSYKGIAENSNFLLHTTKD--PLILTLYEKKN--DLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPE-------------------AKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGD----ELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAEL-EALPLLSRGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGLA

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 : 1304 -74407 -57.06 -267.65 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -57.06 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.395

(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: