Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNTNGDSAFNKRTIAAALANYIDAGSIVAGSAGLSLWVS------YLKLSDTQIGLLGALSANAISAAVGALLGGFLADKV-GRKAVYTNSMLVYALGICLVLFGV--NFPMLLSGYIIIGLSVGADITASWTIIAENAPK--KNRARHCGVAQVAWAAGAVVVLLLSVLAGDLGLLGNKIVFAHLLVIALITYILR--IRLPESDAWQTKNQPEEA-QAEKPAVLNK--------------------------------------------------TSYFDLLKPMY-LKSILFLMGVYLVWNLAAGVMGFFMPYIYQQVGGVS----ANMANLLQMGLFIFTGLGVALIFMPFADKYRKTV------FGIAAFMAVIGWTLFLLPV----------EGLPILLLFIVVIGINNGAGQQANYQLWASEIFPTQYRASAQGLMFFLVRISIGIWSLFVPMIITN--FGIGTMAAILLGCVTASMIIGLLFAPNTSGKSLEQIQEELYGSPQSQVKKGTESKIM 4W6V Chain:A ((35-496)) ----------------------------YGIRPLLILFMAATVFDGGMGLPREQASAIVGIF--AGSMYLAALPGGLLADNWLGQQRAVWYGSILIALGHLSIALSAFFGNDLFFIGLVFIVLGTGLFKTCISVMVGTLYKPGDARRDGGFSLFYMGINMGSFIAPLLSGWLLR--THGWHWGFGIGGIGMLVALLIFRGFAIPAMKRYDAEVGLDSSWNKPT------GRWVTAIMAVVVVIIALISQGVIPINPVMIASLLVYVIAASVTLYFIYLFAFAKMSRKDRARLLVCFILLVSAAFFWSAFEQKPTSFNLFANDYTDRMVMGFEIPTVWFQSINALFIIL-LAPVFSWA--------PSSITKFVIGILCAAAGFAVMMYAAQHVLSSGGAGVSPLWLVMSILLLTLGELCL-SPIGLATMTLLAPDRMRGQVMGLWFCASSLGNLAAGLIGGHVKADQLDMLPTLFARCSIALVICAAVLILLIV-------------------------------

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 : 1255 -158397 -126.21 -441.22 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -126.21 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.356

(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: