Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDVRKSLQTILLKEAISMKERERILDLVKKGILSTEEGLDLLESMATEKDEKQIKKEADKVTASHKEKDQASQLIDKLENGEEEISEPVDPKERERQDQENLEKILDELATEANKTSARLDEVNAQFADNKAARNEKQEALMQLNTKEELGELTEEELAQRQTLEAEIKELEASGDTLLEEQLKLEAELKDIRKNQWSEKKETFTDKFELPDDWKDQATDTLNQVGEKMSEAGSQLGKFLKKTFQTVSETVNDNMEWKDVSLRVPGIATTKFEHEFYYEAPAASILDIKAANGNVTLKTWDSNDVKVEAKIKLYGKMGAEPFEAFSERSQIEVNEDHISFQIPNK-----RVRADLVFYLPKRVYDHAAIKLLNGNIMIE-TLEAKDIYTK-STNGNIIVDQLTATMLEVEG-VNGNIDIRNGNILDSIIETVNGTVTFGATAENLSVSL-VNGDVRLTIKEDNLKKVEAS-SVNGNVKVALPDGIGLEGHAKTSLGSINSRLSNYEVVREKKERTNQMLQFRRVSDGEIAQVQLSTTTGSIYLKDTDK 3PET Chain:B ((17-203)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KVKEFNKIDAGT-VGNIYYTQSTDGKTDLQIYG--PD--------NIVALIQVAVKDNTLFLSIDKSKKVRNFKKMKITITSPT--LNGISFK-GVGDVHIENGLTTDNLDIESKGVGNVDIQSLTCQKLNVQSMGVGDVKLEG-------------------TAQIAALHSKGVGNIEAGNLR--ANAVEASSQGVGDITCNATES--IDAAV-RGVGSIKYKG----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PET.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 : 1039 2066 1.99 11.67 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : 1.99 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_3PET.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PET-query.scw PDB file : Tito_Scwrl_3PET.pdb: