Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MRVRRPTMSFAFWSRLKALVRKETKQLLRDKGSLGIGLVLPVILILLFGYGLSFDLNQARVGVVVDQ--SSPQVNQVLAGLNGSRYLTSLE--FRNLPEAEQAIRNGKIDA-ILHLPSDFANQVQQGNAKVQLLLNGRSTTIATALEGYVAGALATAPSIQIDRSPILASASAVKI----------------EQRIWFNESGNSTWFLVPGLMILILTLIGAFLTGLLIARERERG-TLEALFVTPVRPFEIVLAKLIPYVVVG-----MIDIVICIVAAHFIFEVPMRG------------SLFSILFASFLYLIVSLLL--------GLTISGFAQSQFQASQIA----------------LLASFMPALMLSGFVFDTRNLPLVVQIISQLLPATHFMVLIKTLFMGGDDWKLWFKECGILLGYIVVLICAVN-FSLKKRLR--- 3WDO Chain:A ((3-455)) DYKMTPGERRATWGLGTVFSLRMLGMFMVLPVLTTYGMALQGASEALIGIAIGIYGLTQAVFQIPFGLLSDRIGRKPLIVGGLAVFAAGSVIAALSDSIWGIILGRALQGSGAIAAAVMALLSDLTREQNRTKAMAFIGVSFGITFAIAMVLGPIITHKLGLHALFWMIAILATTGIALTIWVVPNSSTHVLNRESGMVKGSFSKVLAEPRLLKLNFGIMCLHMLLMSTFVALPGQLADAGFPAAEHWKVYLATMLIAFGSVVPFIIYAEVKRKMKQVFVFCVGLIVVAEIVLWNAQTQFWQLVVGVQLFFVAFNLMEALLPSLISKESPAGYKGTAMGVYSTSQFLGVAIGGSLGGWIDGMFDGQGVFLAGAMLAAVWLAVASTMKEPPYVSSLRIEIPADIAANEALKVRLLETEGVKEVLIAEEEHSAYVKIDSKVTNRFEVEQAIRQAL

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 : 1964 -160026 -81.48 -420.01 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -81.48 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.153

(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: