Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTVHAKGNVLNKIGIPSHMVWGYIGVVIFMVGDGLEQGWLSPFLVDHGLSMQQSASLFTMYGIAVTISAWLSGTFVQTWGPRKTMTVGLLAFILGSAAFIGWAIPHMYYPALLGSYALRGLGYPLFAYSFLVWVSYSTSQNILGKAVGWFWFMFTCGLNVLGPFYSSYAVPAFGEINTLWSALLFVAAGGILALFFNKDKFTPIQKQDQPKWKELSKAFTIMFENPKV-GIGGVVKTINAIGQFGFAIFLPTYLARYGYSVSEWLQIWGTLF---FVNIVFNIIFGAVGDKLGWRNTVMWFGGVGCGIFTLALYYTPQLIGHQYWVLMIIACCYGAALAGYVPLSALLPTLAP-----DNKGAAMSVLNLGSGLCAFIAPGIVSLFIGPLGAGGVIWIFAALYFFSAFLTRFLTISE----QSTDV-YTEERFVRENVQTNFDKT--VKQ-------------------------------- 3WDO Chain:A ((3-455)) ---DYKMTPGERRATWGLGTVFSLRMLGMFMVLPVLTTYGMAL----QGASEALIGIAIGIYGLTQAVFQIPFGLLSDRIGRKPLIVGGLAVFAAGSVIA---ALSDSIWGIILGR-ALQGSGA--IAAAVMALLSDLTREQNRTKAMAFIGVSFGITFAIAMVL-GPIITHKLGLHALFWMIAILATTGIALTIWVVPNSSTHVLNRESGMVK---GSFSKVLAEPRLLKLNFGIMCLHMLLMSTFVA-LPGQLADAGFPAAEHWKVYLATMLIAFGSVVPFIIYAEVKRKM---KQVFVFCVGLIVVAEIVLWNAQT----QFWQLVVGVQLFFVA---FNLMEALLPSLISKESPAGYKGTAMGVYSTSQFLGVAIGGSLGGWIDGMFDGQGVF--LAGAMLAAVWLAVASTMKEPPYVSSLRIEIPADIAANEALKVRLLETEGVKEVLIAEEEHSAYVKIDSKVTNRFEVEQAIRQAL

General information: TITO was launched using: RESULT: Template: 3WDO.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 : 2071 -249175 -120.32 -615.25 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -120.32 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.316

(partial model without unconserved sides chains): PDB file : Tito_3WDO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WDO-query.scw PDB file : Tito_Scwrl_3WDO.pdb: