Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNCVTSLTASDLPVAEVSHSVLHPEFIAAEVARRYPVKGELTCFLLYRGMNDVYLVQDE-ET-KYALRVWRKTYRDVDDVAYELDFLDYLRQQGFP-ASVGVPQHDGKLYFKVVSPEGERAIALYDWAPGVKFGDCLSEETAFKIGAAMARMHLLGDAWAGPD-HTFST-ETAKDYNICMPALIDFV---Y--D--RP------DDLRDYPVIAANLDKRLDEL-----AASGKVPLGVCHRDFHPSNVHVAQDGAITLLDFDAAGEDFLMQDVQNFVWGNLFY-GFDPKIGEAFEDGYQSVRPFTKEETENIELFLMAKALRLIAGMAHSSTAVGRGTLRFRNLDWLGDYVKTRARACGLL 4PDY Chain:A ((19-308)) ----------------------QAPLIPQAVVSKYDLAI-QQR-----HADGNIEVWTDSKGRRYAAKRSSIA---PAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRH----GDFTYYVTEWVSGQPA-NFGLPEHVAQTAYTLAQFHEATRSFRTDWK-----DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLPWRI------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 1103 -22058 -20.00 -84.51 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -20.00 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: