Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASNAAANGSFGSSANAVQLVSTQRGRKVYCVRGQSFDIDDNYTVTSVIGHGAYGVVCAALDDRTFQEVAIKRVSRVFEDLIDGRRIWREILLLRILKECGCRNVLRLIRVLPPRDPIMEFRDLYLVTDLYDIDLFSIIRQNKCESI--DLLRRISVRVLRCLADMHSMGIVHRDIKPSNILLRDEKNAEEAIVCDFGLARAGLHRLSEPLDLTDYVVTRWYRPPELLL-MCPYSYPIDIWAVGCVMAEYAMQRPLFAGRDYIHQLQFVLSSIPITGVDFIERSSSSSG------LANMNEI--AKKYKGTRPLPQLLSKLPKDGLELVTEMLAFEPNKRITAQEALKHPFFSSVGGPDCKSYPAPPELDLGFDMHAEVSECQLRRAIWDELQYYRK 3P5K Chain:A ((24-328)) ------------------------------------WEVPERYQNLSPVGS---GSVCAAFDTKTGHRVAVKKLSRPFQSIIHAKRTYRE---LRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIV---KCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDC---ELKILDFG-------------------ATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLAQMPKMNFANVFIGANPL----------AVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADP-------------------------------

General information: TITO was launched using: RESULT: Template: 3P5K.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 : 1285 -81147 -63.15 -291.90 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -63.15 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_3P5K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3P5K-query.scw PDB file : Tito_Scwrl_3P5K.pdb: