Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVRRPTMSFAFWSRLKALVRKETKQLLRDKGSLGIGLVLPVILILLFGYGLSFDLNQARVGVVVDQSSPQVNQVLAGLNGSRYLTSLEFRNLPEAEQAIRNGKIDAILHLPSDFANQVQQGNAKVQLLLNGRSTTIATALEGYVAGALATAPSIQIDRSPILASASAVKIEQRIWFNESGNSTWFLVPGLMILILTLIGAFLTGLLIARERERGTLEALFVTPVRPFEIVLAKLIPYVVVGMIDIVICIVAAHFIFEVPMRGSLFSILFASFLYLIVSLLLGLTISGFAQSQFQASQIALLASFMPALMLSGFVFDTRNLPLVVQIISQLLPATHFMVLIKTLFMGGDDWKLWFKECGILLGYIVVLICAVNFSLKKRLR- 5AOO Chain:B ((13-370)) -------------------------NVTTDVGA----------------NGWAPTVSTGLGDGPVSASADSLPGRSGGASSEKTKVGSRFSKWWEPAPSS---TANPQPSLIALNPSATQSGNASILT------GSTAPSLLAYPTATPVPLPNPDEPSQPGPSGDRTWLLDTVTWSQEFTRGWNIAGSNGM----QWTGLESLIFPVSTDTNWTSTSS---PTAYPLPFSFVRAYPDSSWAAMYNTHSMWNCGWRVQVTVNGSQFHAGALILYMVPEATTHAIQTARDNAGFVFPYVILNLYESNTATIEVPYISPTPNTSSGLH-----APWTFYLQVLSPLNPPPSLPT------SLSCSIYVTPVDSSFHGLRYLAPQ

General information: TITO was launched using: RESULT: Template: 5AOO.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 : 1579 -165627 -104.89 -529.16 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -104.89 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.123

(partial model without unconserved sides chains): PDB file : Tito_5AOO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AOO-query.scw PDB file : Tito_Scwrl_5AOO.pdb: