Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKKNITLTILLTNLFIAFLGIGLVIPVTPTIMN------ELHLSGTAVGYMVACFAITQLIVSPIAGRWVDRF-GRKIMIVIGLLFFSVSEFLFGIGK--TVEMLFISRMLGGISAAFIMPGVTAFIADITTI--KTRPKALGYMSAAISTGFIIGPGIGGFLAEV-HSRLPFFFAAAFALLAAILSILT-LREPERNPENQEI-KG-----QKTG-----------------------------------------------------FKRIFAPMYFI----AFLIILISSFGLASFESLFALFVDHKFGFT----ASDIAIMITGGAIVGAITQVVLFDRFTRWFGEIHL------IRYSLILSTSLVFLLTTV-----------HSYVAI-LLVTVTVFVGFDLMRPAVTTYLSKIAGN-EQGFAGGMNSMFTSIGNVFGPIIGGMLFDI--D-VNYPFYFATVTLAIGIALTIAWKAPAHLKAST 4W6V Chain:A ((18-488)) -----YPLSGLFLSEMWERFSFYGIRPLLILFMAATVFDGGMGLPREQASAIVGIFAGSMYLAALPGGLLADNWLGQQRAVWYGSILIALGHLSIALSAFFGNDLFFIGLVFIVLGTGLFKTCISVMVGTLYKPGDARRDGGFSLFYMGINMGSFIAPLLSGWLLRTHGWHWGFGIGGIGMLVALLIFRGFAIPAMKRYDAEVGLDSSWNKPT----GRWVTAIMAVVVVIIALISQGVIPINPVMIASLLVYVIAASVTLYFIYLFAFAKMSRKDRARLLVCFILLVSAAFFWSAFEQKPTSFNLFANDYTDRMVMGFEIPTVWFQSINALFII-LLAPVFSWA---------PSSITKFVIGILCAAAGFAVMMYAAQHVLSSGGAGVSPLWLVMSILLLTL-GELCLSPIGLATMTLLAPDRMRGQVMGLWFCASSLGNLAAGLIGGHVKADQLDMLPTLFARCSIALVICA----------------

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 : 1394 -168193 -120.65 -476.47 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -120.65 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.322

(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: