Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSCYLITGGAGFIGSTLANHLG-EEHVVIVVDDLSMGKV-EN---LDMTKNITFIEGDVAEKSLMEEIMKANKFDYIFHLAAVASVADSVARPVETHRVNFESVLMILELIRKYQPDLKRIVFSSSAAVYGDEPTL----------------PKKEESVIRPLTPYAVDKFAAEQYVLDYCHLYDVPGSAVRFFNVYGPNQNPN---SPYSGVISILVDRYKKQIV--GE--ATSFTLFGDGSQSRDFVYIDDVIQALLLVANEE-AALGKQFNVGTGK--ATTLLELIHAINEILGVELTLEYKEERSGDIHDSLADITKIQS-IGYQPKYGILSGMTNYLKTEIN 1ORR Chain:B ((2-337)) -AKLLITGGCGFLGSNLASFALSQGIDLIVFDNLSRKGATDNLHWLSSLGNFEFVHGDIRNKNDVTRLITKYMPDSCFHLAGQVAMTTSIDNPCMDFEINVGGTLNLLEAVRQYNS-NCNIIYSSTNKVYGDLEQYKYNETETRYTCVDKPNGYDESTQLDFHSPYGCSKGAADQYMLDYARIFGLNTVVFRHSSMYGGRQFATYDQGWVGW--------FCQKAVEIKNGINKPFTISGNGKQVRDVLHAEDMISLYFTALANVSKIRGNAFNIGGTIVNSLSLLELFKLLEDYCNIDMRFTNLPVRESDQRVFVADIKKITNAIDWSPKVSAKDGVQKMYDWTS-

General information: TITO was launched using: RESULT: Template: 1ORR.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 : 1686 -8353 -4.95 -27.48 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -4.95 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_1ORR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ORR-query.scw PDB file : Tito_Scwrl_1ORR.pdb: