Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRVKKLWGMGLALGLSFALMGCTANEQAGKEGSHDKAKTSGEKVLYVNNENEPTSFDPP----IGFNNVSWQPLNNIMEGLTRLGKDHEPEPAMAEKWSVSKDNKTYTFTIRENAKWTNGDPVTAGDFEYAWKRMLDPKKGASSA-FLGY-FIEGGEAYNSGKGKKDDVKVTAKDDRTLEVTLEAPQKYFLSVVSNPAYFPV-NEKVDKDNPKWFAESDTFVGNGPFKLTEWKHDDSITMEKSDTYWDKDTVKLDKVKWAMVSDRNTDYQMFQSGELDTAY--VPAELSDQLLDQ--DNVNIVDQAGLYFYRFNVNMEPFQNENIRKAFAMAVDQEEIVKYVTKNNEKPAHAFVSPGFTQPDGKDFREAGGDLIKP----------NESKAKQLLEKGMKEENYNKLPAITLTYSTKPEHKKIAEAIQQKLKNSLGVDVKLANMEWNVFLEDQKALKFQFSQSSFLPDYADPISFLEAFQTGNSMNRTGWANKEYDQLIKQAKNEADEKTRFSLMHQAEELLINEAPIIPVYFYNQVHLQNEQVKGIVRHPVGYIDLKWADKN 1B5I Chain:A ((7-497)) -------------------------------------VQLADKQTLVRNNGSEVQSLDPHKIEGVPESNVS----RDLFEGLLISDVEGHPSPGVAEKWE-NKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASPYASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKW-TQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMTYNNMPIELFQKLKKEIPNEVRVDPYLCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSY-TPPYTD---------GAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTAD---KPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQEWKTFLDTRHQGTFDVARAGWCADYNEPTSFLNTMLSDSSNNTAHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYYYVNARLVKPWVGG-----------------

General information: TITO was launched using: RESULT: Template: 1B5I.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 : 2600 -108975 -41.91 -231.86 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -41.91 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.477

(partial model without unconserved sides chains): PDB file : Tito_1B5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1B5I-query.scw PDB file : Tito_Scwrl_1B5I.pdb: