Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDIKNLRNIAIIAHVDHGKTTLVDKLLQQSGALGDRAGEIERVMDSNALESERGITILAKNTAITWLDKRTDTTYRINIVDTPGHADFGGEVERVMSMVDCVLLLVDSQEGPMPQTRFVTQKAFARGLKPIVIINKVDKPSARPDWVIDQVFDLFDN--------------------------------LG-------------------------------------------ATDEQ---------L---DFPIVYASGLRGVAGPAPEELAEDMTPLFETIVDIVEPPAV------------------DVDGPFQMQISSLDYNSFVGVIGVGRIQRGFVKLNTPVTVIDKEGNTRNGRILKIMGYHGLERIDVDSASAGDIVCITGIDALNISDTICDPKNVE-ALPPLSVDEPTVSMTFQVNNSPFAGKEGKFVTSRNIRERLDRELIHNVALRVEDTDSPDRFKVSGRGELHLSVLIENMRRE-GFELGVSRPQVIIKE-ID--------------------------------------------------------------------------------------------------------------GEKQEPYENVTFDVEEQHQGAVMEQMGHRKGEMTNMEVDGKGRIRIEATVPSRGLIGFRSEFLTMTSGTGIMTSSFSHYGPLKQGTVAKRQNGVLISMVQGTCLGYALFSLQDRGRLFAKPQLEVYEGMIVGINSRSDDMVVNPTKAKQLTNVRASGTDDALTLTPAIEFTLEQALEFIEDDELVEVTPKSIRIRKRYLTENERKRNRDK 2BM0 Chain:A ((8-682)) --DLKRLRNIGIAAHIDAGKTTTTERILYYTGRIHKIA------------------TITAAVTTCFWK------DHRINIIDAPGHVDFTIEVERSMRVLDGAIVVFDSSQGVEPQSETVWRQAEKYKVPRIAFANKMDKTGADLWLVIRTMQERLGARPVVMQLPIGREDTFSGIIDVLRMKAYTYGNDLGTDIREIPIPEEYLDQAREYHEKLVEVAADFDENIMLKYLEGEEPTEEELVAAIRKGTIDLKITPVFLGSAL----------KNKGVQLLLDAVVDYLPSPLDIPPIKGTTPEGEVVEIHPDPNGPLAALAFKIMADPYVGRLTFIRVYSGTLTSGSYVYNT-TKG--RKERVARLLRMHANHREEVEELKAGDLGAVVGLKETITGDTLVGEDAPRVILESIEVPEPVIDVAIE----PKTKAD--QE---KLSQALARLAEEDPTFRVSTHPETGQTIISGMGELHLEIIVDRLKREFKVDANVGKPQVAYRETITKPVDVEGKFIRQTGGRGQYGHVKIKVEPLPRGSGFEFVNAIVGGVIPKEYIPAVQKGIEEAMQSGPLIGFPVVDIKVTLYDGSYHEVDSSEMAFKIAGSMAIKEAVQKGDPVILEPIMRVEVTTPEEYMGDVIGDLNARRGQILGMEPRG-NAQVIRAFVPLAEMFGYATDLRSKTQGRGSFVMFFDHYQEVPKQ-----------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BM0.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 : 2355 3871 1.64 8.86 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 1.64 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_2BM0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BM0-query.scw PDB file : Tito_Scwrl_2BM0.pdb: