Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MMNNILAFLETKVAPFGEKVGNQRHLK-AIREGFMMAM----------PLILVGSLFLIL---ISWPQEAFTNWLNSVGLLSILTTMNQSTVAIISLVA--------------CFGIAYRLSEGYGTDG--PSAGII---------ALSSFVLMAPRFSSMVYDKNGEQVKQLFGGAIPFSSLNASSLFMAITIGLVTA----EIYRMFIQRGITIKMPSGV-------PDVVSKSFSALLPGFTTFV------LWALVLKGLEAAGVAGGLNGLLGAIVGTPLKLIAGTLP----GMILCVIVNSFF----------WFCGVNGGQVLNAFVDPVWLQFTTENQEAVAAGQTLQHIITLPFKDLFVFIGGGGATIGLAICLFLFSKSRANKTLGKLAIIPSIFNINTAILFTFPTVLNPIMLIPFIATPTINALITYVSMAVGLV--PYTTGVILPWTMPPIIGGFLATGASWRGALLQVVLILVSVAIY------YPFFKIADKRNLEKEKATVGGK------------------------------------------------------------------------------------------------------------------ 4IUW Chain:A ((4-633)) LPRIQDDLYLAVNGEWQAKTPIPPDKSVVSADSNLTDDIRQKLVADLSTMTKTAKTLPLQYAARLFAKANDQTRRQQLGIEPVRDRISFLMALTTLDQFRSAMPKLVADQYVLPISPYVDADMHDAEHNILNLGGPDTILPDAAMYNQEDAENAADLAAWSQMAAAMLAAV-GFSQTDQTAYVEAAKRFDRRLADYVPANVDLAVDSTYDNPLSWQAFEDAAGYLGIPQAFATYMPQTPAKVNAVVPAYLPHLSKLLTPDNYSEWHAWMVINELLTCATYLSDDLRQLAGQYDRFLAGQPEASSWTKHAFGIANEYFDDVIGQYYGQTYFGADAKADVTAMVKQILAQYRVQLENNTWLSPATKQKAMRKLATMQVKMGYPARLFSLYDHLSVDVDDDLLTAILKLSAQTQAFWFKQ---LGQTVDRNQWNMPGHLVNASYDPLKNDITFPAGILQPPYYS---LKWTRAENLGG---TGATIGHEISHSFD--NNGALYDEYGNLHNWWTPADKQAFDQLVKAMAAQFDGRDYEGVKVNGTLTVSENMADNAGMDVALALLGDQPDVKDLQAFFITYARSWATKMRPERAKTVLRQDVHAPATLRVNVPVQNFPAWYQAFNVQPQDGMYRQPQKRLTIWHQ

General information: TITO was launched using: RESULT: Template: 4IUW.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 : 1740 -59340 -34.10 -138.32 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -34.10 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.172

(partial model without unconserved sides chains): PDB file : Tito_4IUW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IUW-query.scw PDB file : Tito_Scwrl_4IUW.pdb: