Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------MEIAADFARRGLRFVGFLGCGAFGDAYVVR--DASDTCFVVKRSKSLVKQSG----FLEEYLGMMNLCSLNVVTSHDAWIDHESRVCILMDYCDAGDLGDYLKK-GYPLPEEEVLSIVAQLLLGLDHIHKRNRVHRDIKPENIFLSSTRAGGGRWPVAKLGDFGSVKRLSRCG-ARVVSRVGTPLYLAPEIIAGYA-----YTSKADIWSMGLVVYRLMVNNSPFRV-TSVDTHTRCVLRLS-PPHPSTLSGYSRALGDCVMAML-SRNWKRRPNAQALLRCDLFQPTLLRHPWIPAPLHVSPCLFVQLRSSLLAVYAAPSERARTLRTLEFGDQVYLSSPRDHSHHGLWLEVLHPFAGFIRNTVKGEPLFDSYASDECMASIGSLTRVLDRAGKQVRRDIS 4AW2 Chain:A ((1-416)) SGEVRLRQLEQFILDGPAQTNGQCFSVETLLDILICLYDECNNSPLRREKNILEYLEWAKPFTSKVKQMRLHREDFEILKVIGRGAFGEVAVVKLKNADKVFAMKILNKWEMLKRAETACFREERDVLVNGDSKWITTLHYAFQD-DNNLYLVMDYYVGGDLLTLLSKFEDRLPEEMARFYLAEMVIAIDSVHQLHYVHRDIKPDNILMDMN----GH---IRLADFGSCLKLMEDGTVQSSVAVGTPDYISPEILQAMEGGKGRYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHKERFQFPTQVTDVSENAKDLIRRLICSREHRLGQNGIEDFK---------KHPFFSGIDW------------------------DNIRNCEAPYIPEVSSPTDTSNFDVDSGHHLPFVGFTYTS-------------SCVLSDRSCLR--------------

General information: TITO was launched using: RESULT: Template: 4AW2.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 : 1346 -17165 -12.75 -53.98 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -12.75 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.344

(partial model without unconserved sides chains): PDB file : Tito_4AW2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AW2-query.scw PDB file : Tito_Scwrl_4AW2.pdb: