Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAANQETILELRDVKKYFPIRSGLFQRKVGDVKAVDGVSFSLKKGETLGIVGESGCGKSTAGRTMIRLYKPTEGQILFKGQDISNLSEEKLRKSVRKNIQMVFQDPFASLNPRKT-LRSIIKEPFNTHNMYTMRERNEKVEELLARVGLHPSFAGRYPHEFSGGQRQRIGIARALTLNPELIIADEPVSALDVSIQAQVINLMEELQEEFNLTYLFISHDLSVVRHISDRVGVMYLGKMMELTGKHELYDNPLHPYTQALLSSVPVTRKRGSVKRERIVLKGELPSPANPPKGCVFHTRCPVAKPICKEQIPEFKEAAPSHFVACHLYS 4YMU Chain:J ((9-239)) ---------------------------KNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINN-GKVNINK-VRQKVGMVFQH--FNLFPHLTAIENITLAPVKVKKM-NKKEAEELAVDLLAKVGLLDK-KDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANE-GMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSKI-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YMU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1133 -112530 -99.32 -489.26 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain J : 0.73 3D Compatibility (PKB) : -99.32 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_4YMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMU-query.scw PDB file : Tito_Scwrl_4YMU.pdb: