Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIREILLADTHNYYGILDERFIDLAHQFSRLQDA-RTGQGGAALAVYFRGQKVVDIYTGLKSQ--TEAWQPDTLAVCYSTGKGVLATLAHILVSEGFLEYDKPIATYWPEFAQNGKEQMTLRHVLSHQSGMFDVRNIIESAREMLDWSHMLVVVAATKPRFLAGEGNAYQALTFGWLVGGVLEKATGQSLDQLMQNYLVEPLQLDGAYFGTPANELDRVARLIIQPKPEKPASTQVEKPKKPQTRKSSLSEKVITWTGQDPQDFQDAMIPKGMKNFSFFSDEGLQAVIPAANGTFTANSLAKIYAMLANQGEWDGQQLIRPEVFKELSTIQSYARDRVMPIPMNWRLGYHRIITMG----------------------------KRAKNGFGHIGYN---GSGAWCDPERDLSFAYTHNLQIGSITGDYRLWGLTQEALRCTDQILKGRKGWF 4WZ4 Chain:A ((5-346)) ------------------RLKALVDAAVQPVMKAND--IPGLAVAISLKGEPHY-FSYGLASKEDGRRVTPETLFEIGSVSKTFTATLAGYALTQDKMRLDDRASQHWPALQGSRFDGISLLDLATYTAGGLPLQ-FPDS--VQKDQAQIRDYYRQWQPTYAPGSQRLYSNPSI-GLFGYLAARSLGQPFERLMEQQVFPALGLEQTHLDVPEAALAQYAQGYGK--DDR----------------------------------------PLR-----VG--PGPLDAEGYGVKTSAADLLRFVDANLHP------ERLDRPWAQALDATHRGYY---KVGDMTQGLGWEAYDWPISLKRLQAGNSTPMALQPHRIARLPAPQALEGQRLLNKTGSTNGFGAYVAFVPGRDLGLVILANRNYPNA----------------------------

General information: TITO was launched using: RESULT: Template: 4WZ4.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 : 1552 -31997 -20.62 -103.88 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -20.62 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_4WZ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WZ4-query.scw PDB file : Tito_Scwrl_4WZ4.pdb: