Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFGCWKEQKKNSKMSLEGEKMKKKGKAKRWLVNILLFLLLLVGLALIFNEQIKDYFVRETGDKYAIANVTKEDLKKNNDKDVSFDFDAVEPMTTEGVMRSQMRGTDLPVIASIAVPSVSINLPVFKGLDNTSLLYGAGTLSPDQEMGKGNYALASHRA----TNPELLFTPLENLEMGAKIYLTDLENVYTYKTFFKEKVAPTDTQLLNEVEGKEIVTLITCGDMDAVTRLVVQGELESVTSIKDATDDMRSAFNLETKTF 4O8T Chain:B ((31-186)) ----------------------------------------------------------------------------------------------------------KLPVIGGIAIPELEMNLPIFKGLDNVNLFYGAGTMKREQVMGEGNYSLASHHIFGVDNANKMLFSPLDNAKNGMKIYLTDKNKVYAYEIREVKRVTPDRVDEVDDRDGVNEITLVTAEDLAATERIIVKGDLKETKDYSQTSDEILTAFNQPYKQF

General information: TITO was launched using: RESULT: Template: 4O8T.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 : 460 -12152 -26.42 -79.95 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -26.42 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_4O8T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O8T-query.scw PDB file : Tito_Scwrl_4O8T.pdb: