Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMDNAGEQLRIVDSTLKRTTPRNCLWYSLVCEGD-----GFCVLQRPYIAFTLRERLVARPVWTAQEKLCIVYQLLEAVARLHETYGLTHGDIKPNNVLVQSTGVLLLSDMALFKPCQMPLDSPLL--FDYYYDTDENRACYVAPEKFSDQPLPTPPPESKTRGSATYNVSNVNFDGHTASMDVFSTACVVLFLYKEEDPLTLSQVLS-----LRH-L--------AN---TEAREA------------FV----A-----PVLRDANVPAALHPLLLPMLCATAEERPSARELVNRGLQQRIFPASLPYLYESVLPRLLTTSPGTRLVLLHNQLEAVLQRCEVLDTTPEGNGGRSSTAAIDAAASAEAVGANAAGLAAVASPSRQLAVSLLLPLLLQTLHSSCTSDEAAYRGLLCLRRCASYCSFTCLVDAVLPHVLFYVNNDAHVYGPSTRLIALRLLSSISEVIAHHLTLRSPQRLSGTVTPSRDAAAAKPGDTGEGSAVPEEQWALMEHLVLPCLYGVLRQAEQESTAVLVEVASRLPRLLLLSRYITERRQLLYGADAVMTKSTTFESRPGPQGHRARQPEDAVHEQQSHHDPLHAKPRRQASQHLSPNKGGEEDHRVKAVAAPVTPNSTSMPPSPLPPPRSSSDALYFSPTDVATLSEQSISGGTRARLAPAARHTEAGKSANEVSDADGENAGDVHGASAAGTQQYLAQLHCLLTNGWSMLQILYNHPCVAVVVEVMQRSSSTVAAFLGEERVTEDLIPLLTTALTAPLRVQRLLYSQAILLHALLQRPPTKTLRLFVDEGLRHTDDVCLNRTLHSLAVVVRSRRLPLEETMALVHQTLPMLVESRLWLREAACGVVEAAAQTYSASDIALHLEYAVRPLLMLPVPLAHLRRYAATAIRAELAMPFMSLGGTAGPTPCSYVSSAPLRERASATGSACLLDEAILEDDEPMNRLLENGTGSGDGRRGRPGQCRGFEDGGGNGGNFKDVLPEVVAVTDSYASAPAPALLHGLPLTEASSSSAPGSRMSREASIAEPAVTAQHSRSATDTCIVADDGGDSDGMALVYRPTAREVARVQLESRSGPLHLPASSALLSPPPSGLTSSHVVAPSTATSSGAAAAAALPVQDCQLPTPPHSRDVSPLPATLPPPSGVIRCSLKGGGGRVLHGRVTPPSLTSPAAAASTAVPPSSSAPCSALRPTAAALSSVSAHMGAIYAAAPSPSANGIVISAGARGEAFVWQVAASHTSTAHARELCLVERVASAASEAGVHTYTACQWIGGPGQRRDFTLSSASASASGSLVAFASTDSAVRVLDVEKNAWVSSTVVGGTPEGGLTGLALQDRASLLVTTAAGGLHVVDTRCRGRGRADEEPAVGSTASVWHTRLNPLDGAPSCVCPLYMSDRACAAAVGTYGGAVCLYDLRYQLCAQRVILVDDGAGLTSASALASGRLSITTACVDPLSTLCRSCRPSSWEPEPAAGPSLLLGTTGGTVYRLLLQSASYWPAFQCCRNGGGAVRTMLTQPTHGCVFTGSEDGYIRSWSTDRPETSHTLVCGLYRSPAYTVERTGAAERALAANAVRGDAVAPPGSNGSKGLASLTVREGSDIHHGGCALPRHAPDAILALCAVRTTTASLASWGSSNSGSGGGGEPCYLLSGSRDGTLTLWDNDPGQP 3RP9 Chain:A ((97-402)) ------KRILREIAILNRLNHDHVVKVLDIVIPKDVEKFDELYVVLEIADSDFKKLFRTPVYLTELHIKTLLYNLLVGVKYVHS-AGILHRDLKPANCLVNQDCSVKVCDFGLARTVDYPENGNSQLP---------VTRWYRAPELILLQE------------------------NYTEAIDVWSIGCIFAELLNMIKENVAYHADRGPLFP---TRGNRDQLNVIFNILGTPSEEDIEALEKEDAKRYIRIFPKREGTDLAERFPASSADAIHLLKRMLVFNPNKRITINECLAHPFFKE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RP9.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 : 847 -22496 -26.56 -105.12 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -26.56 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.335

(partial model without unconserved sides chains): PDB file : Tito_3RP9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RP9-query.scw PDB file : Tito_Scwrl_3RP9.pdb: