Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEGYIIAGLLLLTAGMIDFLWTTLWLESGAGPITRCLSAWLWKGCRKISGDHAKVLSMAGPLLLCLTLVIWISLFWSGWVLIYSSDPHS---LMETQS--------KEPASWSDRIYFSGYVMFTLGNGD--LAPNGGLWKLVTIIETAQGLLTITFSVTYLISVLSAVNQKRSFAQSVLSLGHDGTEIVHNAWNGKDFHDIDFLLVAASSELGKLTAQHNAFPILHFYHSTQHQESSIIAVAVLDEALTIFKYGIPEQYQPNQLHIKEARSSIKNYLDTVHTAYIHPAEQAPPEPDISKLQQSGIPALSKQTFQIAVNSIKERRQLLLGIIQAGARKWPVQEQAIGNAYSPK 3SPC Chain:A ((40-155)) --------------------------------------------------------VDIRWRYMLL-LFSLAFLVSWLLFGLIFWLIALIHGDLENPGGDDTFKPCVLQVNGFVAAFLFSIETQTTIGYGFRCVTEECPLAVFMVVVQSIVGCIIDSFMIGAIMAKMARPKKR-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3SPC.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 : 274 -41362 -150.95 -401.57 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -150.95 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.008

(partial model without unconserved sides chains): PDB file : Tito_3SPC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SPC-query.scw PDB file : Tito_Scwrl_3SPC.pdb: