Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLVPRFRKQWFAYLTVLCLALAAAVSFGVPAKAAENPQTSVSNTGKEADATKNQTSKADQVSAPYEGTGKTSKSLYGGQTELEKNIQTLQPSSIIGTDERTRISSTTSFPYRATVQLSIKYPNTSSTYGCTGFLVNPNTVVTAGHCVYSQDHGWASTITAAP-GRNGSSYPYGTYSGTMF--YSVKGWTESKDTNYDYGAIKLNGSPGN----TVGWYGYRTTNSSSPVGLSSSVTGFPCDKTFGTMWSDTKPIRSAETYKLTYTTDTYGCQSGSPVYRNYSDTGQTAIAIHTNGGSSYNLGTRVTNDVFNNIQYWANQ 1QY6 Chain:A ((2-184)) ----------------------------------------------------------------------------------------------ILPNNDRHQITDTTNGHYAPVTYIQVEAP--TGTFIASGVVVGKDTLLTNKHVVDAT-HGDPHALKAFPSAINQDNYPNGGFTAEQITKYSGEG---------DLAIVKFSPNEQNKHIGEVVKPATMSNNAETQTNQNITVTGYPGDKPVATMWESKGKITYLKGEAMQYDLSTTGGNSGSPVFNEKNE----VIGIH---------------------------

General information: TITO was launched using: RESULT: Template: 1QY6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 942 -51866 -55.06 -294.69 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -55.06 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.276

(partial model without unconserved sides chains): PDB file : Tito_1QY6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QY6-query.scw PDB file : Tito_Scwrl_1QY6.pdb: