Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MDVFLITP-TYEWQFALQVEDADFTKIA-------KKAGLGPEVARLLFE---------------------RGIQDQESLKKFL----EPSLEDLHDAYL---------LHDMD-KAVERIRQAIEEGENILVYGDYDADGMTSASIVKESLEQLGAECRVYLPN--RFTDGYGPNASVYKYFIEQEGISLIVTVDNGVAGHEAIALAQSMGVDVIV---TDHHSM-------PETLPDAY--AIVHPEHP---DADY---PFKYLAGCGVAFKLACAL------LEEVQVELLD---LVAIGTIADMVSLTDENRILVQYGLEMLGHTQRIGLQEMLDMAGIAAN-------EVTEETVGFQIAPRLNALGRLDDPNPAIDLLTGFDDEEAHEIALMIHQKNEERKEIVQSIYEEAKTMVDP--EKKVQVLA---KEGWNPGVLGIVAGRLLEELGQTVIVLNIEDGRAKGSARSV--EAVDIFEALDPHRDLFIAFGGHAGAAGMTLEVEQLSDLSQV-LEDYVREKGADAGGKNKLNLDEELDLEALSLETVKSFERLAPFGMDNQKPIFYIKNFQVESARTMGAGNAHLKLKISKGEASFEVVAFGQGRWATEFSQTKNLELAVKLSVNQWNGQTALQLMMVDARVEGVQLFNIRGKNAVLPEGVPVLDFPGELPNLAASEAVVVKNIPEDITQ--LKTIFQEQHFSAVYFKNDIDKAYYLTGYGTRDQFAKLYKTIYQFPEFDIRYKLKDLAAYLNIQQILLVKMIQVFEELGFVTIKDGVMTVNKEAPKREIGESQIYQNLKQTVKDQEMMALGTVQEIYDFLMEKE 4AQ1 Chain:A ((172-892)) AVPEIVEVTAVNSTTVKVTFNTQIADVDFTNFAIDNGLTVTKATLSRDKKSVEVVVNKPFTRNQEYTITATGIKNLKGETAKELTGKFVWSVQDAVTVALNNSSLKVGEESGLTVKDQDGKDVVGAKVELTSSNTNIVVVSSGEVSVSAAKVTAVKPGTADVTAKVTLPDGVVLTNTFKVTVTEVPVQVQNQGFTLVDNLSN--APQNTVAFNKAEKVTSMFAGETKTVAMYDTKNGDPETKPVDFKDATVRSLNPIIATAAINGSELLVTANAGQSGKASFEVTFKDNTKRTFTVDVKKEPVLQDIKVDATSVKLSDE----AVGGGEVEGVNQKTIKVSAVDQYGKEIKFGTKGKVTVTTNTEGLVIKNV--------NSDNTIDFDSG---NSATDQFVVVATKDKIVNGKVEVKYFKNASDTTPTSTKTITVNVVNVKADATPVGLDIVA--------PSEIDVNAPNTASTADVDFINFESVEIY-TLDSN--------------GNRLKKVTPTATTLVGTNDYVEVNG------NVLQFKGNDELTLLTSSSTVNVDVTAD-GITKRIPVKYINSASVPASATVATSPVTVKLNSSDNDLTFEELIFGVID-PTQLVKDEDINEFIAVSKAAKNDGYLYNKPLVTVKDAS---------GEVIPTGANVYGLNHDATN---------GNIWFDEEQAGLAKKFSDVHFDVDFSLANVVKT----GSGTVSSSPSLSDAIQLTNSGD------------AVSFTLVIKSIYV-----------------KGADKDDNNLLAAPVSVNVTVTKGS------------------

General information: TITO was launched using: RESULT: Template: 4AQ1.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 : 3291 182994 55.60 291.86 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 55.60 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.186

(partial model without unconserved sides chains): PDB file : Tito_4AQ1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AQ1-query.scw PDB file : Tito_Scwrl_4AQ1.pdb: