Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKSRLEAFTDGVVAIVLRVLVLEIKIPNTSSFHSLWVIRNTLLAYTISFIFVAVIWVNHHRIFQMAERINYRVVWSNIFLLFWLTLCPSVTSWVGRNPEAFWPEMAYVLVYTMWSFSFGILMRQIMKANKPDSHVVRVLSKDRRSLISMMINLCLIAGVFFVPLIGLFGRFFVSGIWIFSYKKADAYYQRLFPGK-- 1GUX Chain:B ((10-150)) TSLSLFYKKVYRLAYLRLNTLCERLLSEHPELEHIIWTLFQHTLQNEYELMR------DRH---------LDQIMMCSMYGICKVK---------------------------NIDLKFKIIVTAYKDLPHAVQETFKRVLIKEEEYDS---------------IIVFYNSVFMQRLKTNILQYASTRPPTLSPIPHI

General information: TITO was launched using: RESULT: Template: 1GUX.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 : 556 -123672 -222.43 -889.72 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.55 3D Compatibility (PKB) : -222.43 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_1GUX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GUX-query.scw PDB file : Tito_Scwrl_1GUX.pdb: