Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNETITYDTWNDMLSKQITDQLIDELDVLKWAYRTYGEKIVYACSFGAEGMVLLDLISKINKNAH---IIFLDTGLHFQETYELIETVKERY---PGFAIQMLEPELSLTEQ--GTKYGGELWKHNPNLCCQLRKIEPLKKHLSGM--TAWISGLRRDQSPTRKHIQYVNLDQKFELIKICPLIHWTWDDVWTYIRLHNLPYNKLHDQHYPSIGCEMCTLPSPDPNDERAGRWAGREKTECGLHQE 2OQ2 Chain:D ((18-249)) -------DHWNEQLIKLETPQ-----EIIAWSIVTFPH-LFQTTAFGLTGLVTIDMLSKLSEKYYMPELLFIDTLHHFPQTLTLKNEIEKKYYQPKNQTIHVYKPDGCESEADFASKYGDFLWEKDDDKYDYLAKVEPAHRAYKELHISAVFTGRRKSQGSARSQLSIIEIDELNGILKINPLINWTFEQVKQYIDANNVPYNELLDLGYRSIGDYHSTQPVKEGEDERAGR-------ECGIHE-

General information: TITO was launched using: RESULT: Template: 2OQ2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1039 -108361 -104.29 -504.00 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : -104.29 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.460

(partial model without unconserved sides chains): PDB file : Tito_2OQ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OQ2-query.scw PDB file : Tito_Scwrl_2OQ2.pdb: