Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------MSNMQLDTLRRIVQEINASVSLHESLDIMVNQVAEAMKVDVCSIYLLDER----NQRYVLMASK-----------------GLNPESVGHVSLQLGEGLVGLVGQREEIVNLDNAP---KHERFLYLPETG---------EEIYNSFLGVPVMYRRKVMGVLVVQNRLPQDFSEAAESFLVTLCAQLSGVIAHAHAVGNIDVFRKPSNGPAYKTFQGVSGAGGVALGRAIILYPPADLGS-------VPDREAEDI------SDELRILDQAISSVRSEIRSLDEKMHDSLMAEERALFS-----VFLRMLD--ENALPAEIK---ELIRDGHW-AQGAVRRVIEKHTALFAQMEDDYLRERVSDLKDLGRRI----------LAYLQEEDSNHRELSPDSILIGEEISTAALVELPVDNIAAIVTSEGAANSHMVIVARALGIPTVVGVTELPVNTLDDAEMIVDAYQGRVFVNPPRRLRQRYKEIQKEDEQIAKDLKQYETKEAITPDGVSVQLFVNTGLMIDVVRGVQRGAQGVGLYRSEIPFMLRERFPG--------------------EEEQRAIYRQQLSHFANKPVVMRTLDIGADKDLP-----------------------YFSIEEENSALGWRGIRFTLDHPEIFSAQIRAMLKASIGLNN-------LHILLPMVTTVSEVEEVLYLLERDWIAVQEEEQVKITKPKIGIMVEVPSVLLQIDEFAELVDFFSVGSNDLTQYLLAVDRNNPHVANVYSHF-------------HPSILRALTRLVKECHKYQKP--VSICGEMAGDPLSAILLMAMGFNTLSMSSSNILRVRKAICHVPMSDAQKLLDDVMKMNNPLIVKSWLEYYFKTHGLADMVKSNRLVSV 1JDE Chain:A ((1-873)) AKWVYKFEEGNASMRNLLGGAGCNLAEMTILGMPIPQGFTVTTEACTEYYNSGKQITQEIQDQIFEAITWLEELNGKKFGDTEDPLLVSVRSGARASMPGMMDTILNLGLNDVAVEGFAKKTGNPRFAYDSYRRFIQMYSDVVMEVPKSHFEKIIDAMKEEKGVHFDTDLTADDLKELAEKFKAVYKEAMNGEEFPQEPKDQLMGAVKAVFRSWDNPRAIVYRRMN---DIPGDWGTAVNVQTMVFGNKGETSGTGVAFTRNPSTGEKGIYGEYLINAQGEDVVAGVRTPQPITQLENDMPDCYKQFMDLAMKLEKHFRDMQDMEFTIEEGKLYFLQTRNGKRTAPAALQIACDLVDEGMITEEEAVVRI--EAKSLDQLLHPTFNPAALKAGEVIGSALPASPGAAAGKVYFTADEAKAAHEKGERVILVRLETSPEDIEGMHA--AEGILTVRGGMTSHAAVVARGMGTCCVSGCGEIKINEEAKTFELGGHTFAEGDYISLDGSTGKIETQEASVSGSFERIMVWADKFR------TLKVRTNADTPEDTLNAVKLGAEGIGLCRTEHMFFEADRIMKIRKMILSDSVEAREEALNELIPFQKGDFKAMYKALEGRPMTVRYLDPPLHEFVPHTEEEQAELAKNMGLTLAEVKAKVDELHEFNPMMGHRGCRLAVTYPEIAKMQTRAVMEAAIEVKEETGIDIVPEIMIPLVGEKKELKFVKDVVVEVAEQVKKEKGSDM-QYHIGTMIEIPRAALTADAIAEEAEFFSFGTNDLTQMTFGFSRDDAGKFLDSYYKAKIYESDPFARLDQTGVGQLVEMAVKKGRQTRPGLKCGICGEHGGDPSSVEFCHKVGLNYVSCSPFRVPIARLAAAQAALNNK-----------------------------------------

General information: TITO was launched using: RESULT: Template: 1JDE.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 : 4105 81180 19.78 114.50 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 19.78 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_1JDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JDE-query.scw PDB file : Tito_Scwrl_1JDE.pdb: