Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------MAEQDGQKLFLKRNSNPFIAALSAEGIVPKLVWTKRIETGEVVTAQHWKNGRELSSNEMK----QTRVAHLLKKIHN--------SRPLLSMLKRM--EMEPITPEIMLNKINASLSREVLTHHIVRKSLTYLEEHIPSLDSRFFTVVHGDVNHNNWLLSDRDELFLVDWEGAMIADPAIDIGMLLYNYVPQQQWSEWLETYGVQESLNLNKRMKWYTVIQSIGLVQWYEEQKRYKDMNTWLKFLNEVMNSNMFI---------------------------------------- 1NW1 Chain:A ((32-426)) GMKELLSTMDLDTDANTIPELKERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSERHLGPKLY--GIFSGGRLE---EYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSP-VTFCHNDLQEGNILLPKR--LVLIDFEYASYNYRAFDFANHFIEWTIDYD-IDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVELSPVGFGFADYGRDRLSLYFKHKQLLKNLA

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 : 791 7313 9.25 31.52 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 9.25 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.320

(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: