Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTPEDISQNKPLLWLMAAACGLCAGVNYYCQPLIHSIQ-QDFAVTQAQAALTVTFAQVSYALGLLFIVPMGDIVNKAKAIPFLMMLCAVGLFTSAFAVNLPMLWIGTILAGLFSVAAQVLIPLATMTVKPEKTGEIIGFLMSGLLVGILLSTSLAGLFSNLFHWKVVYAISGILMLLLAYTLKSRLPYVMRMK-LNYGQIFVSMAQLLKEEKRLLLRALTGAFAFASVSILYSTIALLMTSAHHLPDLFIGL---V-PLVGIFGALSTRYIGKYADQGYTRLLTWMGCGLFLLSWICFYFGQTLLSAYVIGFALIQLALALVHTSNQSIIFR-LRPDAKSRINAIYMTTYFIGGAAGSALGIFAWNRGEWTMTCLAGVGLVVFCILFSMIDAFLQKKQMA 3WDO Chain:A ((11-385)) ----------RRATWGLGTVFSLRMLGMFMVLPVLTTYGMALQGASEALIGIAIGIYGLTQAVFQIPFGLLSDRIGRKPLIVGGLAVFAAGSVIAALSDSIWGIILGRALQGSGAIA-AAVMALLSDLTREQNRTKAMAFIGVSFGITFAIAMVLGPIITHKLGLHALFWMIAILATTGIALTIWVVPNSSTHVLNRESGMVKGSFSKVLAEPRLLKLNFGIMCLHMLLMSTFVALPGQLAD-AGFPAAEHWKVYLATMLIAFGSVVPFIIYAEVKRKMKQVFVFCVGL--IVVAEIVLWNAQTQFWQLVVGVQLFFVAFNLMEALLPSLISKESPAGYKGTAMGVYSTSQFLGVAIGGSLGGWIDGMFDGQGVFLAGAMLAAVWLAVA------------

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 : 1884 -273042 -144.93 -741.96 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -144.93 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.353

(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: