Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVYTQLTDDQFSAFCQRFGVSFACAIPITQGIKNSNWFIQTT-DDVDGAHSYVFTLFEERPLEDIEK-MAVILNQLDGKLP-VAAPLSLVDSAEKCYVIRYDNKAITLVPCLAGSHPQQTTQAMCHEIGTALAMLHETLQALQPSEQYGVPL----YPWSDVRDRER-------Q-F-------MPADEAKLMSDI----WQSY-----TDL-PLATLPKGLCHLDMFADNTLWNLSLNNSQKGEESLTGLLDFTEVSVEHYVMDIAITINDFCTTWGDAEQGESVNFDRSKMAAFLQGYESKRSLGADEKRALPVMLAKAAVIFWLLRLNVIHYNRTEGRTGDNIMVKNPDLMKRLAAYHWSHVEKAKNTVFVLLDNLLASQKDIQIVGVFSNITQAEQARDKLSNSSEFAIKEYTVDQLS 4PDY Chain:A ((23-301)) ----------IPQAVVSKYDLAIQQ---R---HADGNIEVWTDSK---G-RRYAAKRSSI-APAHCRIMVQCLRHAQEQGFTKFARFVT-TSSNAPY--VRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK-----DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQ---------HQVVLIDFELARPAPRALDMAHLLRRSLERGN---------WDGHLAYACFLHFDAVRNIPKSEYRAVEAILRF------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 966 -25272 -26.16 -104.43 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -26.16 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.283

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: