Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRASIVREKKYYELVEQLKDRTQDVTFSATKALSLLMLFSRYLVNYTNVESVNDINEECAKHYFNYLMKNHKRLGINLTDIKRSMHLISGLLDVDVNHYLKDFSLSNVTLWMTQER 2KHQ Chain:A ((29-84)) ---------------------------------ESAYKHIKDHFRH----KLLKDIKRTEYQKFLNEYGL-----THSYETIRKLNSYIRNAFDDAIH-------------------

General information: TITO was launched using: RESULT: Template: 2KHQ.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 : 108 -22705 -210.23 -405.45 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -210.23 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_2KHQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KHQ-query.scw PDB file : Tito_Scwrl_2KHQ.pdb: