Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNMQLDTLRRIVQEINASVSLHESLDIMVNQVAEAMKVDVCSIYLLDERNQRYVLMASKGLNPESVGHVSLQLGEGLVGLVGQREEIVNLDNAPKHERFLYLPETGEEIYNSFLGVPVMYRRKVMGVLVVQNRLPQDFSEAAESFLVTLCAQLSGVIAHAHAVGNIDVFRKPSNGPAYKTFQGVSGAGGVALGRAIILYPPADLGSVPDREAEDISDELRILDQAISSVRSEIRSLDEKMHDSLMAEERALFSVFLRMLDENALPAEIKELIRDGHWAQGAVRRVIEKHTALFAQMEDDYLRERVSDLKDLGRRILAYLQEEDSNHRELSPDSILIGEEISTAALVELPVDNIAAIVTSEGAANSHMVIVARALGIPTVVGVTELP------------VNTLDDAEMIVDAYQGRVFVNPPRRLRQRYKEIQKEDEQIAKDLKQYETKEAITPDGVSVQLFVNTGLMIDVVRGVQRGAQGVGLYRSEIPFMLRER----------FPGEE-----------EQRAIYRQQLSHFANKPVVMRTLDIGADKDLPY------------------------FSI-EEENSALGWRGIRFTLDHPEIFSAQIRAMLKASIG---LN---NLHILLPMVTTVSEVEEVLYLLERDWIAVQE-EEQVKITKPKIGIMVEVPSVLLQIDEFAELVDFFSVGSNDLTQYLLAVDRNNPHVA--NV-------YSHF----HPSILRALTRLVKECHKY--QKPVSICGEMAGDPLSAILLMAMGFNTLSMSSSNILRVRKAICHVPMSDAQKLLDDVMKMNNPLIVKSWLEYYFKTHGLADMVKSNRLVSV 5JVL Chain:D ((420-872)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AQGKSAILVRTETSPEDVGGMH--AAAGILTARGGMTSHAAVVARGWGKCCVSGCADIRVNDDMKIFTIGDRVIKEGDWLSLNGTTGEVILGKQLLAPPAMSNDL-------------EIFMSWADQARRLKVMANADTPNDALTARNNGAQGIGLCRTEHMFFASDERIKAVRKMIMAVTPEQRKVALDLLLPYQRSDFEGIFRAMDGLPVTIRLLDPPLHEFLPEGDLEHIVNELAVDTGMSADEIYSKIENLSEVNPMLGFRGCRLGISYPELTEMQVRAIFQAAVSMTNQGVTVIPEIMVPLVGTPQELRHQISVIRGVAANVFAEMGVT--LEYKVGTMIEIPRAALIAEEIGKEADFFSFGTNDLTQMTFGYSRDDVGKFLQIYLAQGILQHDPFEVIDQKGVGQLIKMATEKGRAANPSLKVGICGEHGGEPSSVAFFDGVGLDYVSCSPFRVPIARLAAAQV----------------------------------------------

General information: TITO was launched using: RESULT: Template: 5JVL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1757 -11079 -6.31 -29.70 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.60 3D Compatibility (PKB) : -6.31 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_5JVL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JVL-query.scw PDB file : Tito_Scwrl_5JVL.pdb: