Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNMQLDTLRRIVQEINASVSLHESLDIMVNQVAEAMKVDVCSIYLLDERNQRYVLMASKGLNPESVGHVSLQLGEGLVGLVGQREEIVNLDNAPKHERFLYLPETGEEIYNSFLGVPVMYRRKVMGVLVVQNRLPQDFSEAAESFLVTLCAQLSGVIAHAHAVGNIDVFRKPSNGPAYKTFQGVSGAGGVALGRAIILYPPADLGSVPDREAEDISDELRILDQAISSVRSEIRSLDEKMHDSLMAEERALFSVFLRMLDENALPAEIKELIRDGHWAQGAVRRVIEKHTALFAQMEDDYLRERVSDLKDLGRRILAYLQEEDSNHRELSPDSILIGEEISTAALVELPVDNIAAIVTSEGAANSHMVIVARALGIPTVVGVTELP------------VNTLDDAEMIVDAYQGRVFVNPPRRLRQRYKEIQKEDEQIAKDLKQYETKEAITPDGVS-VQLFVNTGLMIDVVRGVQRGAQGVGLYRSEIPFMLRERFP---------GEE-----------EQRAIYRQQLSHFANKPVVMRTLDIGADKDLPYF----------------------S-IEEENSALGWRGIRFTLDHPEIFSAQIRAMLKASIG----LN---NLHILLPMVTTVSEVEEVLYLLERDWIAVQEEEQVKITKPKIGIMVEVPSVLLQIDEFAELVDFFSVGSNDLTQYLLAVDRNNPH--VANVY-------SHF----HPSILRALTRLVKECHK--YQKPVSICGEMAGDPLSAILLMAMGFNTLSMSSSNILRVRKAICHVPMSDAQKLLDDVMKMNNPLIVKSWLEYYFKTHGLADMVKSNRLVSV 1KBL Chain:A ((418-871)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EKGERVILVRLETSPEDIEGMH--AAEGILTVRGGMTSHAAVVARGMGTCCVSGCGEIKINEEAKTFELGGHTFAEGDYISLDGSTGKIYKGDIETQEASVSGSF--------------ERIMVWADKFRTLKVRTNADTPEDTLNAVKLGAEGIGLCRTEHMFFEADRIMKIRKMILSDSVEAREEALNELIPFQKGDFKAMYKALEGRPMTVRYLDPPLHEFVPHTEEEQAELAKNMGLTLAEVKAKVDELHEFNPMMGHRGCRLAVTYPEIAKMQTRAVMEAAIEVKEETGIDIVPEIMIPLVGEKKELKFVKDVVVEVAEQVKKEKG-SDMQYHIGTMIEIPRAALTADAIAEEAEFFSFGTNDLTQMTFGFSRDDAGKFLDSYYKAKIYESDPFARLDQTGVGQLVEMAVKKGRQTRPGLKCGICGEHGGDPSSVEFCHKVGLNYVSCSPFRVPIARLAAAQAALN-------------------------------------------

General information: TITO was launched using: RESULT: Template: 1KBL.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 : 1636 -23113 -14.13 -61.47 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -14.13 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_1KBL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KBL-query.scw PDB file : Tito_Scwrl_1KBL.pdb: