Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQHSWGAYAQRNTDDHPPAYTPGYKTSVLRSPKNALISINETLTEVTAPHFSSNLFGPKDNDLILNYAKDGLPIGESVIVYGYVRDQFGRPVKNALLEVWQANASGRYRHPNDKFIGAMDPNFGGCGRTLTDENGFYIFRTIKPGPYPWRNRINEWRPAHIHFSLIADGWAQRLISQFYFEGDTLIDTCPILKTIPSEDQRRALIALEDKNNFIEADSRCYRFDITLRGRRATYFENDLT 2BV0 Chain:B ((4-241)) ---IIWGAYAQRNTEDHPPAYAPGYKTSVLRSPKNALISIAETLSEVTAPHFSADKFGPKDNDLILNYAKDGLPIGERVIVHGYVRDQFGRPVKNALVEVWQANASGRYRHPNDQYIGAMDPNFGGCGRMLTDDNGYYVFRTIKPGPYPWRNRINEWRPAHIHFSLIADGWAQRLISQFYFEGDTLIDSCPILKTIPSEQQRRALIALEDKSNFIEADSRCYRFDITLRGRRATYFENDLT

General information: TITO was launched using: RESULT: Template: 2BV0.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1097 -62243 -56.74 -261.52 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.97 3D Compatibility (PKB) : -56.74 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.97 QMean score : 0.742

(partial model without unconserved sides chains): PDB file : Tito_2BV0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BV0-query.scw PDB file : Tito_Scwrl_2BV0.pdb: