Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILETTAKASQQYKVMPIMISLLLAGFIGMFSETALNIALTDLMK------ELNITAATVQWLTTGYLLVLGILVPVSGLLLQWF-TTRQLFTVSLIFSILGTFIAALAP--SFSFLLAARIVQALGTGLLLPLMFNTILVIFPP--HKRGAAMGTIGLVIMFAPAIGPTFSGLVLEHLNWHWIFWISLPFLVLALVFGIAY-MQNVSETTKPKIDVLSIILSTIGFGGIVFG----------FSNAGEGSGGWSSPTVIVSLIVGVVGLILFSIRQ-LTMKQPMMNLRAFKYPMFILGVIMVFICMMVILSSMLLLPMYLQGGLVLT----AFASGLVLLPGGILNGFMSPVTGRLFDKYGPKWL------VIPGFVIVTVVLWFFSNVTT--------TSTAVLIIILHTCLMIGISMIMMPAQTNGLNQLPREFYPDGTAIMNTLQQMAGAIGTAVAVSIMAAGQHDYMSTVKNPADPAVIPQALTAGVQHAFVFAMIVAIIGLIGAFFMKRVKVDH 4W6V Chain:A ((24-467)) ----------------------FLSEMWERFSFYGIRPLLILFMAATVFDGGMGLPREQASAIVGIFAGSMYLAALPGGLLADNWLGQQRAVWYGSILIALGHLSIALSAFFGNDLFFIGLVFIVLGTGLFKTCISVMVGTLYKPGDARRDGGFSLFYMGINMGSFIAPLLSGWLLRTHGWHWGFGIGGIGMLVALLIFRGFAIPAMKRYDAEVGLDSSWNKPT------GRWVTAIMAVVVVIIALISQGVIPINPVMIASLLVYVIAASVTLYFIYLFAFAKMSRKDRARLLVCFILLVSAAFFWSAFEQKPTSFNLFANDYTDRMVMGFEIPTVWFQSINALFIILLAPVFSWA---------PSSITKFVIGILCAAAGFAVMMYAAQHVLSSGGAGVSPLWLVMSILLLTLGELCLSPIGLATMTLLAPDRMRGQVMGLWFCASSLGNLAAGLIGGHVKA-------------------------------------------------------

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 : 1884 -334443 -177.52 -864.19 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -177.52 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.338

(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: