Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHFQDKHVIHVDEQNQVIKFTRRNEIVECDHGRIQISKEDNEILCM-DCNTKLNPVLWIAKYLDQLNQVTQRNNRMLAEVREIQAKLEKKNKFMCKHCHEVNTIDFKKLPSQAAVVRGMAVIDQEFDGMKVEHSR 3DGA Chain:B ((182-231)) ------------------IYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIY-------KKTNN-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DGA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 114 -4968 -43.57 -101.38 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -43.57 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.372

(partial model without unconserved sides chains): PDB file : Tito_3DGA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DGA-query.scw PDB file : Tito_Scwrl_3DGA.pdb: