Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIDVAAMTRCLKTLSDQTRLIMMRLFLEQEYCVCQLVDMFEMSQPAISQHLRKLKNAGFVNEDRRGQWRYYSINGSCPEFDTLQLILHQIDQEDELLNHIKQKKTQACCQ 4K2E Chain:A ((18-92)) ----SAKAVVLLKAMANERRLQILCMLLDNELSVGELSSRLELSQSALSQHLAWLRRDGLVNTRKEAQTVFYTLSSTEV--------------------------------

General information: TITO was launched using: RESULT: Template: 4K2E.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 : 258 -43262 -167.68 -576.82 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -167.68 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_4K2E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K2E-query.scw PDB file : Tito_Scwrl_4K2E.pdb: