Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------MAEQDGQKLFLKR-----------NSNPFIAALSAEGIVPKLVWTKRIETGEVVTAQHWKNGRELSSNEMKQ----TRVAHLLKKIHNSRPLLSMLKRMEMEPITPEIMLNKINASLSREVLTH----------------HIVRKSLTYLEEHIPSLDSRFFTVVHGDVNHNNWLLSDRDELFLVDWEGAMIADPAIDIGMLLYNYVPQQQWSEW----LETYGVQESLNLNKRMKWYTVIQSIGLVQWYEEQKRYKDMNTWLKFLNEVMNSNMFI---------------------------------------- 1NW1 Chain:A ((32-426)) GMKELLSTMDLDTDANTIPELKERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSERHLGPKLYGI--FSGGRLE---EYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVP------IWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSP-VTFCHNDLQEGNILLP--KRLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNT-----RENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVELSPVGFGFADYGRDRLSLYFKHKQLLKNLA

General information: TITO was launched using: RESULT: Template: 1NW1.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 : 717 9809 13.68 44.18 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 13.68 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.325

(partial model without unconserved sides chains): PDB file : Tito_1NW1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nw1-query.scw PDB file : Tito_Scwrl_1NW1.pdb: