Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDTTTAKQASTKFVVLGLLLGILMSAMDNTIVATAMGNIVA------DLGSF-DKFAWVTASYMVAVMAGMPIYGKLSDMY-GRKRFFLFGLIFFLIGSALCGIAQ--TMNQLIIFRAIQGIGGGALLPIAFTIIFDLFPP--EKRGKMSGMFGAVFGLSSVLGPLLGAIITDSISWHWVFYINVPIGALSLFFIIRY-YKESLEHRKQKIDWGGAITLVVSIVCL------------MFALELGGKTYDWNSIQIIGLFIVFAVFFIAFFIVER-KAEEPIISFWMFKNRLFATAQILAFLYGGTFIILAVFIPIFVQAVYGSS----ATSAGFILTPMMIGSVIGSMIGGIFQTKASFRNL------MLISVIAFFIGMLLLSNMTP--------DTARVWLTVFMMISGFGVGFNFSLLPAASMNDLEPRFRGTANSTNSFLRSFGMTLGVTIFGTVQTNVFTNKLNDAFSGMKGSAGSGAAQNIGDPQEIFQAGTRSQIPDAILNRIIDAMSSSITYVFLLALIPIVLAAVTILFMGKARVKTTAEMTKKAN 4W6V Chain:A ((21-468)) ---------------SGLFLSEMWERFSFYGIRPLLILFMAATVFDGGMGLPREQASAIVGIFAGSMYLAALPGGLLADNWLGQQRAVWYGSILIALGHLSIALSAFFGNDLFFIGLVFIVLGTGLFKTCISVMVGTLYKPGDARRDGGFSLFYMGINMGSFIAPLLSGWLLRTHGWHWGFGIGGIGMLVALLIFRGFAIPAMKRYDAEVGLDSSWNKPT------GRWVTAIMAVVVVIIALIS-QGVIPINPVMIASLLVYVIAASVTLYFIYLFAFAKMSRKDRARLLVCFILLVSAAFFWSAFEQKPTSFNLFANDYTDRMVMGFEIPTVWFQSINALFIILLAPVFSWA---------PSSITKFVIGILCAAAGFAVMMYAAQHVLSSGGAGVSPLWLVMSILLLTLGELCLSPIGLATMTLLAPDRMRGQVMGLWFCASSLGNLAAGLIGGHVKAD---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4W6V.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 : 1894 -318351 -168.08 -820.49 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -168.08 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.324

(partial model without unconserved sides chains): PDB file : Tito_4W6V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4W6V-query.scw PDB file : Tito_Scwrl_4W6V.pdb: