Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAISTKELMEVTLGKKLGAGSFGSVFVGV-LPSGNFVAVKILELSDDAPSN---TEVEIHRKMVHPNIIRYLYSRIDLESTPKKLYVYLEFVTGGSVTSLMKSLPNGCLPYAVVRVYARHMFQGLEYLHSNQVAHRDIKGDNVLISMDTGTAKLADFDQAKIMNTHGTLRKAATATLAGTPYWMAPEVITDEDGYDPFKADIWSAGCTVAEMITGRAPWTPMPNVMHIMNKLALSTGWPDAVPKDAKELGSQDAYDFLDLCFQRDVSKRPPAATLLKHVFLRV 5DEY Chain:A ((26-275)) ---------------EKIGQGASGTVYTAMDVATGQEVAIKQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYL----VGDELWVVMEYLAGGSLTDVVTET---CMDEGQIAAVCRECLQALEFLHSNQVIHRNIKSDNILLGMD-GSVKLTDFG----FCAQITPEQSKRSEMVGTPYWMAPEVVT-RKAYGP-KVDIWSLGIMAIEMIEGEPPYLN-ENPLRALYLIA-TNGTPEL--QNPEKL-SAIFRDFLNRCLEMDVEKRGSAKELLQHQFLKI

General information: TITO was launched using: RESULT: Template: 5DEY.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 : 1143 -34636 -30.30 -140.79 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -30.30 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_5DEY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DEY-query.scw PDB file : Tito_Scwrl_5DEY.pdb: