Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIREILLADTHNYYGILDERFIDLAHQFSRLQDA-RTGQGGAALAVYFRGQKVVDIYTGLKSQ--TEAWQPDTLAVCYSTGKGVLATLAHILVSEGFLEYDKPIATYWPEFAQN---GKEQMTLRHVLSHQSGMFDVRNIIESAREMLDWSHMLVVVAATKPRFLAGEGNAYQALTFGWLVGGVLEKATGQSLDQLMQNYLVEPLQLDGAYFGTPANELDRVARLIIQPKPEKPASTQVEKPKKPQTRKSSLSEKVITWTGQDPQDFQDAMIPKGMKNFSFFSDEGLQAVIPAANGTFTANSLAKIYAMLANQGEWDGQQLIRPEVFKELSTIQSYARD--RVMPIPMNWRLGYHRIITMGKRAKNGFGHIGYN-G--SGAWCDPERDLSFAYTHNLQIGSITGDYRLWGLTQEALRCTDQILKGRKGWF 4E6W Chain:A ((2-330)) ----------------------RLSTLIHQRMQEAK--VPALSVSVTIKGV-RQRFVYGVADVASQKANTLDTVYELGSMSKAFTGLVVQILIQEGRLRQGDDIITYLPEMRLNYQGKPASLTVADFLYHTSGLPFST-LAR-LE------AVAQQLRNENLLFAPGAKFSYASANY-DVLGAVIENVTGKTFTEVIAERLTQPLGMSATVAVKGDEIIVNKASGYKL--GFG---------------------------------------KPV----L-FHAPLARNHVPAAYIHSTLPDMEIWIDAWLHR------KALPATLREAMSNSWRGNSDVPLAADNRILYASGWFIDQN----QGPYISHGGQNPNFSSCIALRPDQQIGIVALANMNSNLI------LQLCADIDNYL-----------

General information: TITO was launched using: RESULT: Template: 4E6W.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 : 1768 -13656 -7.72 -43.77 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -7.72 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_4E6W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E6W-query.scw PDB file : Tito_Scwrl_4E6W.pdb: