Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQTLIAALQNPALYPHPVERFEVIETHISWVLLTGPYAYKIKKPMDFGFLDFTSLDKRRFYCNEELRLNQRLTDDLYLEVLPITGSEEAPRIGGDGEAIEYLLKMRQFPQDNLLAAIQ-GRGELSNQHIDELAEQIAHFHQNTPKVPLEHPLGTAESCMAPVRQNFEQ-VRPLLKDKADLQQLDALEAWAESSFERLLPVLQERKAKGFIRECHGDIHLGNAALIDGRVVLFDCIEFNEPFRFTDVCADFAFLAMDLEDRGLKCHARRFVSLYLEHTGDYQALELLNFYKAYRAMVRAKVALFSLGYQTDAVQRAATLRQYRNYANLAESYSAIPSRFLAVTHGVSAVGKSQVAMRLVEALGAVRLRSDIERKRLFGEQPEHDRGQFAAGIYSSQASEATYAHLHQLAAKILQAGYPVVIDAAYLKQNQRQAACHIAEETGVPFLILDCQAPEAVIAGWLAQRQ-AEGKDPSDAT-L-DVIRTQQATREPLTAAETVQSKRVDTHDAASLDGLVDGIRQRLPGL 1YJ5 Chain:A ((5-383)) ----------------------------LGWESLKKLLVFTASGVKPQGKVAAFDLDGTLITTRSGKVFPTSPSDWRILY----------------PEIPKKLQELAAEGYKLVIFTNQMGIGR-GKLPAEVFKGKVEAVLEKL-GVPFQVLVATHAG---LNRKPVSGMWDHLQEQANEGIPISVEDS----------------------------VFVGDAA---GRLANWA----PGRKKKDFSCADRLFALNV----GLPFA-----------------------------TPEEFFLKWPAARFELPAFDPRTISSAGPLYLPESSSLLSPNPEVVVAVGFPGAGKSTFIQEHLVSAGYVHVNRDTLG---------------------------SWQRCVSSCQAALRQGKRVVIDNTNPDVPSRARYIQCAKDAGVPCRCFNFCATIEQARHNNRFREMTDPSHAPVSDMVMFSYRKQF--EPPTLAEGFLEILEIPFRLQEHLDPALQRLYRQFSEG

General information: TITO was launched using: RESULT: Template: 1YJ5.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 : 1798 -14759 -8.21 -39.46 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -8.21 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.233

(partial model without unconserved sides chains): PDB file : Tito_1YJ5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1yj5-query.scw PDB file : Tito_Scwrl_1YJ5.pdb: