Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIREILLADTHNYYGILDERFIDLAHQFSRLQDA-RTGQGGAALAVYFRGQKVVDIYTGLKSQ--TEAWQPDTLAVCYSTGKGVLATLAHILVSEGFLEYDKPIATYWPEFAQNGKEQMTLRHVLSHQSGMFDVRNIIESAREMLDWSHMLVVVAATKPRFLAGEGNAYQALTFGWLVGGVLEKATGQSLDQLMQNYLVEPLQLDGAYFGTPANELDRVARLIIQPKPEKPASTQVEKPKKPQTRKSSLSEKVITWTGQDPQDFQDAMIPKGMKNFSFFSDEGLQAVIPAANGTFTANSLAKIYAMLANQGEWDGQQLIRPEVFKELSTIQSYARDRVMPIPMNWRLGYHRIITMG-------------------------KRAKNGFGHIGYN---GSGAWCDPERDLSFAYTHNLQIGSITGDYRLWGLTQEALRCTDQILKGRKGWF 4U0X Chain:B ((7-345)) -----------------QEIKKLVDQNFKPLLEKYD--VPGMAVGVIQNNK-KYEMYYGLQSVQDKKAVNSNTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKNTPIDQVNLLQLATYTSGNLALQ-FP---DEVQTDQQVLTFFKDWKPKNPIGEYRQYSNPSI-GLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQNYAFGYNQ--ENQ----------------------------------------PI-------RVNPGPLDAPAYGVKSTLPDMLSFIHANLNP------QKYPTDIQRAINETHQGRY---QVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKVTAISKEPSVKMYHKTGSTSGFGTYVVFIPKENIGLVMLTNKRIPNE----------------------------

General information: TITO was launched using: RESULT: Template: 4U0X.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1533 -3261 -2.13 -10.59 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -2.13 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.410

(partial model without unconserved sides chains): PDB file : Tito_4U0X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U0X-query.scw PDB file : Tito_Scwrl_4U0X.pdb: