Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLIRNPFKDKYYSHDRRALNMLALRVPGLAFILMIYIASIVLQFVSGGWSILLLYAFTILIAIFALLHWHSYRWVKKRVILYFAVQGLITFALANLMTGFFILVIIGLYAFLIGQIIGMADRRRTFLILYLLLLLVINSAYHLHKGEVLHFIVIAAPIMIVIITYAATFFAQVDEKIKAQLTLERLELAHQQVEQLTLQNERQRMARDLHDTLAQGLVSLNMQLDAIHVHLAKGNTERAKEIIQQSMKRVKSTIADARSAIDD----LRSKSEEIGVLKERITSLMDHFIESTGMACLLDYRLHQVLDVRTAENCYYIIGECMTNAAKHA----EAKTIWISIWDDEKGRLHLTVKDNGKGFDVEKGKKKRGHYGLLGIQERVRAINGQFNIKSTKLKGTQIEITVPIQGEMQDE---- 4R39 Chain:A ((13-229)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PDRATELDRQLAEVQHR-----VKNHLAMIVSMIRIQSSQAGGVGSQFDSLSRRVEALQLLYQEMDIAGAAKATDKIIPLGAYLGRIASAINHIDGRGAIKVNVQAD-TVDVPVETAGRIGLLVSEVLTNALQHAFSDRASGVVQLRSSVMSGEQLRVTVEDDGRGIPEDCDWPNEGNLGSRIVRQLVQGLGAELNVTRGG-TGTIVNIDIPLSQQKTLIADER

General information: TITO was launched using: RESULT: Template: 4R39.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 : 1056 -58744 -55.63 -286.56 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -55.63 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.306

(partial model without unconserved sides chains): PDB file : Tito_4R39.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R39-query.scw PDB file : Tito_Scwrl_4R39.pdb: