Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTFVDAARSFRTQFDLNFSEKIIVDFFAGGGGASTGLEMGLNRPVYVAVNHNPKAISMHEANHPH---AKHYIQDVFAVDPIDI-------------CDGHQVGWFHASPDCTHHSQAAGGQPR-KKEIRDLSWVVLKFAGKVKPDVISLENVKQILGWGPLIAKRDKATGRVITLDKININGKKVNRIAEPGERVPRHNQFLVPNPKKKGKTWKHFVRSLEQLGYEVEW---------QKNIIAADFGAPTKRERLFLIARCDGQPI--VWPEKYFSKKPKGNLKKWRSTVECVDFSDLGNSIFDRPQGPLADATLKRIAKGIQKYVIETKEPFFVNSSTPFIGRDFRTSFGHDIREPLATTTAGYGGHSSLISPILVPFITEFANASQQRNWSIDEPLSTICAQVKGGHHGLVTAKLSKDNYKGALRVAAFLINYYGNGDARSITEPMDTITTKDRLVLVTVWIKGEPWAIVDICIRMLKPRELFRAQGVPDSYVIEYGSDGKPLSKKDQVFMVGNSVSPYPMAAIARANNPFITQQIKGAA 3LX6 Chain:A ((83-327)) -----------------PHYAFRFIDLFAGIGGIRRGFESI-GGQCVFTSEWNKHAVRTYKANHYCDPATHHFNEDIRDITLSHQEGVSDEAAAEHIRQHIPEHDVLLAGFPCQPFSLA------ACDTQGTLFFDVVRIIDARRPAMFVLENVKNLKSHD-------------------------------------------------KGKTFRIIMQTLDELGYDVADAEDNGPDDPKI-IDGKHF-LPQHRERIVLVGFRRDLNLKADFTLRDISEC---FPAQRVTLAQLLDPMV-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3LX6.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 : 896 -23573 -26.31 -121.51 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -26.31 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.342

(partial model without unconserved sides chains): PDB file : Tito_3LX6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LX6-query.scw PDB file : Tito_Scwrl_3LX6.pdb: