Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKLLKIMQELREKCPWDQEQTSMSLTKYAIEEAYEVEAAIRQGDINEIRNELGDLLLQVVFQSQMFSEQGAFNFQDVVEAISEKLVRRHPHVFQADQFNNLIPEQVSELWKQIKQQEKQGKPQSRLDEIKHGPALSQAQEIQKNVAKVGFDFETVEDAYTKLEEELDEFKQALKNQNSDEIQDEFGDCLFSLVNVGRKLGISSESSLLSTIHKFRSRFAFIEEQAIKQQRTLEDMTLSEMDELWNQAKRQLKSGEKPHAIQHEILEK 2YXH Chain:A ((2-114)) VERLLEIIERSLRKCPWLEKQSIETLLEALASEIEEVAEAVKKNDLANLEEEIGDMIYDALLVAAVAQRDYGIDLESAIQKVVEKISHRKPWLFWEEKIS---LEEAEKIWKERKK--------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2YXH.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 : 233 -18218 -78.19 -161.22 target 2D structure prediction score : 0.86 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -78.19 2D Compatibility (Sec. Struct. Predict.) : 0.86 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_2YXH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YXH-query.scw PDB file : Tito_Scwrl_2YXH.pdb: