Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAELNTPLTVGDFEIKNRLVMAPLTRARSGESRVPNDLMVEYYQQRANAGLILTEATVIGSKTVGYADTPGLWSQEQAQAWNKIIEAVHAQGSKIVVQLWHVGRISHPELLDGDIPVAPSAIQPAGEVSLLRPKRPYVTPRALSIEEIQEIVAQYKHSAELAKAAGFDGVELHAANGYLIDQFLQSNTNQRDDEYGGPVENRARLLLEVVDAFIEVWGAGRVGVHIAPRGDSHDMGDENPLATFGYVVEQLSQRNVAFIFSREYEAADSISPQLRKKFNGVWIANENLTPESAKRILREGQADAVSFGKAYIANPDLLQRLEQGLPLNELQPTTLYAKGAEGYTDYPALEAS 4AB4 Chain:A ((2-350)) -TTLFDPIKLGDLQLPNRIIMAPLTRCRADEGRVPNALMAEYYVQRASAGLILSEATSVSPMGVGYPDTPGIWNDEQVRGWNNVTKAVHAAGGRIFLQLWHVGRISHPSYLNGELPVAPSAIQPKGHVSLVRPLSDYPTPRALETEEINDIVEAYRSGAENAKAAGFDGVEIHGANGYLLDQFLQSSTNQRTDRYGGSLENRARLLLEVTDAAIEVWGAQRVGVHLAPRADAHDMGDADRAETFTYVARELGKRGIAFICSREREADDSIGPLIKEAFGGPYIVNERFDKASANAALASGKADAVAFGVPFIANPDLPARLAADAPLNEAHPETFYGKGPVGYIDYPRLK--

General information: TITO was launched using: RESULT: Template: 4AB4.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 : 2195 -184331 -83.98 -528.17 target 2D structure prediction score : 0.80 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -83.98 2D Compatibility (Sec. Struct. Predict.) : 0.80 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.609

(partial model without unconserved sides chains): PDB file : Tito_4AB4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AB4-query.scw PDB file : Tito_Scwrl_4AB4.pdb: