Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVPKTATSTETKTITRIIHYVDKVTNQNVK-----EDVVQP-----VTLSRTKTENKVTGVVTYGEWTTGNWDEVISG--KIDKYKDPDIPTVESQEVTSDSSDKEITVRYDRL----STPEKPIPQPNPEHPSVPTPNPELPNQETPTPDKPTPEPGTPKTETPVNPDPEVPTYETGKREELPNTGTEANATLASAGIMTLLAGLGLGFFKKKEDEK 4USA Chain:A ((216-336)) ----------------------KVSHANIKGIDTSEALTMPGVHSVITHKDVKGKNRITGLITFPTNKGDGWDRPILCDEKVFQYGDCIALVCADSEANARAAAEKVKVDLEELPAYMSGPAAAAEDAIEIHPGTPNVYFEQP---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4USA.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 : 349 35694 102.27 339.94 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 102.27 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.094

(partial model without unconserved sides chains): PDB file : Tito_4USA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4USA-query.scw PDB file : Tito_Scwrl_4USA.pdb: