Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKSRLEAFTDGVVAIVLRVLVLEIKIPNTSS------FHSLWVIRNTLLAYTISFIFVAVIWVNHHRIFQMAERINYRVVWSNIFLLFWLTLCPSVTSWVGRNPE---AFWPEMAYVLVYTMWSFSFGILMRQIMKANKPDSHVV-R--VLSKDRRSLISMMINLCLIAGVFFVPLIGLFGRFFVSGIWIFSYKKADAYYQRLFPGK 5VRE Chain:D ((8-202)) SETGRIEAFSDGVFAIAITLLVLEIKVPQHKIVETVGLVSSLLSLWPSYLAFLTSFASILVMWVNHHRIFSLVARTDHAFFYWNGLLLMLVTFVPFPTALLAEYLIHPQARVAASVYAGIFLAIAIVFNRLWKHAAT---------DRHEVDAITKQYRFGPGLYLVAFALSFISVWLSVGVCFVLAIYFALRSN-------------

General information: TITO was launched using: RESULT: Template: 5VRE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 597 -83004 -139.04 -477.03 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain D : 0.75 3D Compatibility (PKB) : -139.04 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.321

(partial model without unconserved sides chains): PDB file : Tito_5VRE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VRE-query.scw PDB file : Tito_Scwrl_5VRE.pdb: