Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASNAAANGSFGSSANAVQLVSTQRGRKVYCVRGQSFDIDDNYTVTSVIGHGAYGVVCAALDDRTFQEVAIKRVSRVFEDLIDGRRIWREILLLRILKECGCRNVLRLIRVLPPRDPIMEFRDLYLVTDLYDIDLFSIIRQNKCESIDLLRRISVRVLRCLADMHSMGIVHRDIKPSNILLRDEKNAEEAIVCDFGLARAGLHRLSEPLDLTDYVVTRWYRPPELLL-MCPYSYPIDIWAVGCVMAEYAMQRPLFAGRDYIHQLQFVLSSIPITGVDFIERSSSSSG---------LANMNEIAKKYKGTRPLPQLLSKLPKDGLELVTEMLAFEPNKRITAQEALKHPFFSSVGGPDCKSYPAPPELDLGFDMHAEVSECQLRRAIWDELQYYRK 3D83 Chain:A ((18-322)) ------------------------------------WEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRE---LRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTD-DHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDC---ELKILDFGLAR---HTDDE---MTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMN-FANVFIGANPL----------AVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADP-------------------------------

General information: TITO was launched using: RESULT: Template: 3D83.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 : 1348 -122833 -91.12 -416.38 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -91.12 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_3D83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3D83-query.scw PDB file : Tito_Scwrl_3D83.pdb: