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

General information: TITO was launched using: RESULT: Template: 2BUU.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 -61212 -55.80 -257.19 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.97 3D Compatibility (PKB) : -55.80 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.97 QMean score : 0.709

(partial model without unconserved sides chains): PDB file : Tito_2BUU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BUU-query.scw PDB file : Tito_Scwrl_2BUU.pdb: