Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEGYIIAGLLLLTAGMIDFLWTTLWLESGAGPITRCLSAWLWKGCRKISGDHAKVLSMAGPLLLCLTLVIWISLFWSGWVLIYSSDPHSLMETQSKEPASWSDRIYFSGYVMFTLGNGDLAPNGGLWKLVTIIETAQGLLTITFSVTYLISVLSAVNQKRSFAQSVLSLGHDGTEIVHNAWNGKDFHDIDFLLVAASSELGKLTAQHNAFPILHFYHSTQHQESSIIAVAVLDEALTIFKYGIPEQYQPNQLHIKEARSSIKNYLDTVHTAYIHPAEQAPPEPDISKLQQSGIPALSKQTFQIAVNSIKERRQLLLGIIQAGARKWPVQEQAIGNAYSPK 3LDC Chain:A ((27-80)) ---------------------------------------------------------------------------------------------------ESWTVSLYWTFVTIATVGYGDYSPHTPLGMYFTCTLIVLGIGTFAVAVERLLEF--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3LDC.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 : 88 -11512 -130.82 -213.19 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -130.82 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.015

(partial model without unconserved sides chains): PDB file : Tito_3LDC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LDC-query.scw PDB file : Tito_Scwrl_3LDC.pdb: