Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEGYIIAGLLLLTAGMIDFLWTTLWLESGAGPITRCLSAWLWKGCRKISGDHAKVLSMAGPLLLCLTLVIWISLFWSGWVLIYSSDPHSLMETQSKEPASWSDRIYFSGYVMFTLGNGDLAP------NGGLWKLVTIIETAQGLLTITFSVTYLISVLSAVNQKRSFAQSVLSLGHDGTEIVHNAWNGKDFHDIDFLLVAASSELGKLTAQHNAFPILHFYHSTQHQESSIIAVAVLDEALTIFKYGIPEQYQPNQLHIKEARSSIKNYLDTVHTAYIHPAEQAPPEPDISKLQQSGIPALSKQTFQIAVNSIKERRQLLLGIIQAGARKWPVQEQAIGNAYSPK 4WFE Chain:A ((223-286)) ---------------------------------------------------------------------------------------------------WSKLEAIYFVIVTLTTVGFGDYVAGADPRQDSPAYQPLVWFWILLGLAYFASVLTTIGNWLRVV----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WFE.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 : 79 -15353 -194.34 -264.71 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -194.34 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.062

(partial model without unconserved sides chains): PDB file : Tito_4WFE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WFE-query.scw PDB file : Tito_Scwrl_4WFE.pdb: