Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------MANSNNKTNAQQVRKQNQQSASGQGQFGTEF-----ASETNVQQVRKQNQQSAAGQGQFGTEFASETDAQQVRQQNQSAEQNKQQNS---------- 2WA0 Chain:A ((-14-312)) MDAESLFREALSNKVDELAHFLLRKYRAKELVTKAEMLERVIKNYKRCFPVIFGKASESLKMIFGIDVKEVDSNTYTLVTCLGLSYDGLLNQIFPKTGLLIIVLGTIAMEGDSASEEEIWEELGVMGVYDGREHTVYGEPRKLLTQDWVQENYLEYRQVRYEFLWGPRALAETSYVKVLEHVVRVNARVRIAYPSLREAALLE

General information: TITO was launched using: RESULT: Template: 2WA0.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 : 309 33769 109.28 411.81 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : 109.28 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.133

(partial model without unconserved sides chains): PDB file : Tito_2WA0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WA0-query.scw PDB file : Tito_Scwrl_2WA0.pdb: