Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGCTVKPQLLLLALVLHPWNPCLGADSEKPSSIPTDKLLVITVATKESDGFHRFMQSAKYFNYTVKVLGQGEEWRGGDGINSIGGGQKVRLMKEVMEHYADQDDLVVMFTECFDVIFAGGPEEVLKKFQKANHKVVFAADGILWPDKRLADKYPVVHIGKRYLNSGGFIGYAPYVNRIVQQWNLQDNDDDQLFYTKVYIDPLKREAINITLDHKCKIFQTLNGAVDEVVLKFENGKARAKNTFYETLPVAINGNGPTKILLNYFGNYVPNSWTQDNGCTLCEFDTVDLSAVDVHPNVSIGVFIEQPTPFLPRFLDILLTLDYPKEALKLFIHNKEVYHEKDIKVFFDKAKHEIKTIKIVGPEENLSQAEARNMGMDFCRQDEKCDYYFSVDADVVLTNPRTLKILIEQNRKIIAPLVTRHGKLWSNFWGALSPDGYYARSEDYVDIVQGNRVGVWNVPYMANVYLIKGKTLRSEMNERNYFVRDKLDPDMALCRNAREMGVFMYISNRHEFGRLLSTANYNTSHYNNDLWQIFENPVDWKEKYINRDYSKIFTENIVEQPCPDVFWFPIFSEKACDELVEEMEHYGKWSGGKHHDSRISGGYENVPTDDIHMKQVDLENVWLHFIREFIAPVTLKVFAGYYTKGFALLNFVVKYSPERQRSLRPHHDAS-TFTINIALNNVGEDFQGGGCKFLRYNCSIESPRKGWSFMHPGRL-------THLHEGLPVKNGTRYIAVSFIDP 4PE2 Chain:A ((3-498)) ---------------------------------IEEGKLVIW-----------------------------------------INGDKGYNGLAEVGKKFEKDTGIKVTVEH------PDKLEEKFPQVAATGDG----PDIIFWAHDRFGGYAQ----------SGLLAEITP----------------DKAFQDKLY--PFTWDAVRY------------------------NGKLIA-------YPIAVEA-----LSLIYNKDLLPNPPK--------TWEEIPALDKELKAKGKSALMFNLQE---PYFTWPLIAADGG----YAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGE---TAMTINGPWAWSNIDTSKV-----NYGVTVLPTFKGQPSKPFVGVLSA-GINAASPN--------------------------KELAKEFLEN-YLLT---DEGLEAVNKDKPLGAVALKSYEEELAK------------DPRIAATMENAQK--------------GEIMPNIPQMSAFWYAV--RTAVINAA---------SGRQTVDEALKDAQTNAAASN-------INKAKVASVESDYSSVKSAALSYYSDKNTMPPSGELDALETYMDTLPDKADIGGGYKLLLVNNKLALKI-GDGTAADSVTLTKAQIEKLLSDIGPKKIYTENTLKTELQKNSTLKDGT--LYIVLIDN

General information: TITO was launched using: RESULT: Template: 4PE2.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 : 2717 -145716 -53.63 -298.60 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -53.63 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.227

(partial model without unconserved sides chains): PDB file : Tito_4PE2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PE2-query.scw PDB file : Tito_Scwrl_4PE2.pdb: