Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAISTKELMEVTLGKKLGAGSFGSVFVGV-LPSGNFVAVKILELSDDAPSN---TEVEIHRKMVHPNIIRYLYSRIDLESTPKKLYVYLEFVTGGSVTSLMKSLPNGCLPYAVVRVYARHMFQGLEYLHSNQVAHRDIKGDNVLISMDTGTAKLADFDQAKIMNTHGTLRKAATATLAGTPYWMAPEVITDEDGYDPFKADIWSAGCTVAEMITGRAPWTPMPNVMHIMNKLALSTGWPDAVPKDAKELGSQDAYDFLDLCFQRDVSKRPPAATLLKHVFLRV 3Q53 Chain:A ((27-276)) ---------------EKIGQGASGTVYTAMDVATGQEVAIRQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYL----VGDELWVVMEYLAGGSLTDVVTET---CMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMD-GSVKLTDFG----FCAQITPEQSKRSTMVGTPYWMAPEVVT-RKAYGP-KVDIWSLGIMAIEMIEGEPPYLN-ENPLRALYLIA-TNGTPEL--QNPEKL-SAIFRDFLNRCLEMDVEKRGSAKELIQHQFLKI

General information: TITO was launched using: RESULT: Template: 3Q53.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 : 1176 -30897 -26.27 -125.60 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -26.27 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.492

(partial model without unconserved sides chains): PDB file : Tito_3Q53.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3Q53-query.scw PDB file : Tito_Scwrl_3Q53.pdb: