Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKMLLFLIIAAVSMLTIAGCSSQSSSADGKVTLKFFHRWPKEPEKSYFEEVVKEFEKDHPDIDIQIEAVLNDSYKDKIK-VMLGTTSPPDIYFSWSDEFAFKFIRGNKALDLSSYYKNDTDWSSQLVQSQITPFTYENKQYGVPWQMDAKSFFYNKDIFQKLNL-DPPKTWDELIDVSKKLKEHGYTPISFGTKATWTISHYIGTLNQRMVDEKTREKDYNAKTGEFTDEGYVKALEKLQEL--MPYFNKHVNSVDHEYVRQQFKSGKSAMIYAETAEIKLV---EP-------------VNLGMFPFPEISGQKGSSEALTGAPEGFMISSRTKHPKEAMEFLQFLTSKRMGEKLVKDVGKYSAVQGTATEENATAIQREAVQHIVD----AKSMVPWFDMDVDVEVADAYLTGVQQMLGGDMTPQQVMKAVQKAAKQVRASAE 3ZKL Chain:A ((18-412)) ----------------------------DDK-TITFWHNASAGEGRQYWENLAKSFEEANPGTKVEIQAIQNEDFAGKLQTAMQDPASGPDVFMSLGGAKTKEMIDAGQVMDLTDKI---SDTVKTDMKTTLSAATFDGKVYGVPVSVEPGGMWYSKDLFKKAGVSDVPATYEELLADAKKLKDSGTDAIALGAKDAWPAAHWYYWLVLRECSPEVYDK--SVQDHDFSNACWVNAGKKLQELKDLKVFNDGFLTT----TAQQGANSSAGLLANHKAAMELMGAWEPGVLKDLTPDQKPMADLGFFAFPEVAGGEGEPGALMGGVTYFCVNPKAS--QTSIDFVNYMGEKKNQEDYAK---AFSTI--PASEPARAVVTDESLKQVIEYLDKAPSMQLWMDTALGTNIGNALNAAVVNMLSGQGSPEDIVKAMQDAAQK------

General information: TITO was launched using: RESULT: Template: 3ZKL.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 : 2139 77167 36.08 208.00 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 36.08 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.415

(partial model without unconserved sides chains): PDB file : Tito_3ZKL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZKL-query.scw PDB file : Tito_Scwrl_3ZKL.pdb: