Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKEEWILPYIKQNARLFVLVIFLGAVTIFSAAFLMFTSGFLISKAATRPENILLIYVPI-VAVRTFGIARSVSRYVERLVGHHIILKIVSDMRVRLYNMLEPGALMLRSRFRTGDMLGILSEDIEHLQDAFLK----------TIFPAISALLLYAVSVIALGFFSWPFAILLALYLFVLVVLFPVVSLLVTRAKNAKLKSGRNVLYSRLTDAVMGVSDWMFSGRRHAFIDAYEKEERDWFELERKKQRF-------TRWR--DFAAQCLVAGLILLMLFWTAGQQA-DGELAKTMIAAFV----LVVFPL---TEAFLPLSDALGEVPGYQDSIRRMNNVAPQPEASQTESGDQILDLQDVTLAFRDVTFSY-DNSSQVLHNFSFTLRQGEKMALLGRSGSGKSTSLALIEGALKPDSGSVTLNGVETA-LLKDQIADAVAVLNQKPHLFDTSILNNIRLGNGEASDEDVRRAAKQVKLHDYIESLPDGYHTSVQETGIRFSGGERQRIALARILLQDTPIIILDEPTVGLDPITERELMETVFEVLKGKTILWITHHLAGVEAADKIVFLENGKTEMEGTHEELLAANERYRRLYHLDVPVK 2ONJ Chain:A ((43-575)) ---------------------------------------GVINNHALTTDEKVHHLTIAIGIALFIFVIVRPPIEFIRQYLAQWTSNKILYDIRKKLYNHLQALSARFYANNQVGQVISRVINDVEQTKDFILTGLMNIWLDCITIIIALSIMFFLDVKLTLAALFIFPF------YILTVYVFFGRLRKL-TRERSQALAEVQGFLHER----VQGIS----------VVKSFAIEDNEAKNFDKKNTNFLTRALKHTRWNAYSFAAINTVTDIGPIIVIGVGAYLAISGSITVGTLAAFVGYLELLFGPLRRLVASFTTLTQSFA-------SMDRVFQLIDEDYDIKNGVGAQPIEIKQGRIDIDHVSFQYNDNEAPILKDINLSIEKGETVAFVGMSGGGKSTLINLIPRFYDVTSGQILIDGHNIKDFLTGSLRNQIGLVQQDNILFSDTVKENILLGRPTATDEEVVEAAKMANAHDFIMNLPQGYDTEVGERGVKLSGGQKQRLSIARIFLNNPPILILDEATSALDLESESIIQEALDVLSKDRTTLIVAHRLSTITHADKIVVIENGHIVETGTHRELIAKQGAYEHLYSI-----

General information: TITO was launched using: RESULT: Template: 2ONJ.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 : 2009 -63838 -31.78 -126.91 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -31.78 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.380

(partial model without unconserved sides chains): PDB file : Tito_2ONJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ONJ-query.scw PDB file : Tito_Scwrl_2ONJ.pdb: