Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------MEKFVDDHHLKRKVGTLEMVVAMLLSGSIGLFVIKSGQSPINIVFFRCLIS--ALCLIPICYFYGHFRKVYFGKKELFLMVTSGLLIIFNWVLLFAAFPKTSISLATIVYHVNPFVILFLGALVF--------------------HEKLNKNDVLWTIIAFIGLIVIIGLGSASVNSNELVGLGL-------VLIATTLYSISVLIT--KKLSNTPPLLIVFIQTLSGAIVMAPFISVFENPPIGQQWLFVVGLGVLHTAF--LYYLMYSAIKK-IPLNNIAILSFIYPISTIVIDYF------FFDHVLTSTQVLGAGLILLGVLGVKLH----WNIFAVKKVGIRN---------------------------------------------------- 3WDO Chain:A ((3-455)) DYKMTPGERRATWGLGTVFSLRMLGMFMVLPVLTTYGMALQGASEALIGIAIGIYGLTQAVFQIPFGLLSDRIGRKPLIVGGLAVFAAGSVIAALSDSIWGIILGRALQGSGAIAAAVMALLSDLTREQNRTKAMAFIGVSFG--ITFAIAMVLGPIITHKLGLHALFWMIAILATTGIALTIWVVPNSSTHVLNRESGMVKGSFSKVLAEPRLLKLNFGIMCLHMLLMSTFVALPGQLADAGFPAAEHWKVYLATMLIAFGSVVPFIIYAEVKRKMKQVFVFCVGLIVVAEIVLWNAQT----QFWQLVVGVQLFFVAFNLMEALLPSLISKESPAGYKGTAMGVYSTSQFLGVAIGGSLGGWIDGMFDGQGVFLAGAMLAAVWLAVASTMKEPPYVSSLRIEIPADIAANEALKVRLLETEGVKEVLIAEEEHSAYVKIDSKVTNRFEVEQAIRQAL

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 : 1081 -159060 -147.14 -533.76 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -147.14 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.187

(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: