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

General information: TITO was launched using: RESULT: Template: 2BUV.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 : 1104 -61513 -55.72 -258.46 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.97 3D Compatibility (PKB) : -55.72 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.97 QMean score : 0.703

(partial model without unconserved sides chains): PDB file : Tito_2BUV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BUV-query.scw PDB file : Tito_Scwrl_2BUV.pdb: