Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIREILLADTHNYYGILDERFIDLAHQFSRLQDARTGQGGAALAVYFRGQKVVDIYTGL--KSQTEAWQPDTLAVCYSTGKGVLATLAHILVSEGFLEYDKPIATYWPEFAQNGKEQMTLRHVLSHQSGMFDVRNIIESAREMLDWSHMLVVVAATKPRFLAGEGNAYQALTFGWLVGGVLEKATGQSLDQLMQNYLVEPLQLDGAYFGTPANELDRVARLIIQPKPEKPASTQVEKPKKPQTRKSSLSEKVITWTGQDPQDFQDAMIPKGMKNFSFFSDEGLQAVIPAANGTFTANSLAKIYAMLANQGEWDGQQLIRPEVFKELSTIQSYARDRVMPIPMNWRLGYHR---IITMGKRAKNGFGHIGYNGSGAWCDPERDLSFAYTHNLQIGSITGDYRLWGLTQEALRCTDQILKGRKGWF 5GKV Chain:A ((18-382)) --------------GVCPDRFAAVREVFEQ-NFADGGELGARFAFAIEGEVVVDLMGGFADRKRQVPFGPDTLTALFSTTKAVAALLIARLVDEGRLAYDQAVADVWPEFAQAGKDAVTVEQALSHQAGLSGFPDETDPAI-WFDWDATCAKLAAMAPLFPIGSASGYHPVTYGYLAGEIFRRVDGRTMGTALREDICEPLGLD-LWIGLPDSEHDRVADLM------RPTAM----PQFGEINPAVEAAFFKPWSS-----------P--KG-----AAEWRRVEIPSANGHATAPALARLMGALAHGGTLDGRSLITPAGIKAATAERLRGRDLVLPYEISWGAGFMRNEPNFYYGPTAE-AFGHSGWGGSCAFADPTRGVSGAYVMNKQGNALIGDPRSVRLIEAA---------------

General information: TITO was launched using: RESULT: Template: 5GKV.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 : 2244 -26191 -11.67 -73.16 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -11.67 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.523

(partial model without unconserved sides chains): PDB file : Tito_5GKV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GKV-query.scw PDB file : Tito_Scwrl_5GKV.pdb: