Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAANQETILELRDVKKYFPIRSGLFQRKVGDVKAVDGVSFSLKKGETLGIVGESGCGKSTAGRTMIRLYKPTEGQILFKGQDISNLSEEKLRKSVRKNIQMVFQDPFA-SLNPRKTLRSIIKEPFNTHNMYTMRERNEKVEELLARVGLHPSFAGRYPHEF-----------SGGQRQRIGIARALTLNPELIIADEPVSALDVSIQAQVINLMEELQEEFNLTYLFISHDLSVVRHISDRVGVMYLGKMMELTGKHELYDNPLHPYTQALLSSVPVTRKRGSVKRERIVLKGELPSPANPPKGCVFHTRCPVAKPICKEQIPEFKEAAPSHFVACHLYS 4AYX Chain:A ((342-566)) ---------LEFKNVHFAYPARP--------EVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWL----RSKIGTVSQEPILFSCSIAENIAYGADDPSS-----VTAEEIQRVAEVANAV----AFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMD--GRTVLVIAHRLSTIKN-ANMVAVLDQGKITEY-GKHE----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AYX.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 : 1026 -105386 -102.71 -494.77 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -102.71 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.477

(partial model without unconserved sides chains): PDB file : Tito_4AYX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYX-query.scw PDB file : Tito_Scwrl_4AYX.pdb: