Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASNAAANGSFGSSANAVQLVSTQRGRKVYCVRGQSFDIDDNYTVTSVIGHGAYGVVCAALDDRTFQEVAIKRVSRVFEDLIDGRRIWREILLLRILKECGCRNVLRLIRVLPPRDPIMEFRDLYLVTDLYDIDLFSIIRQNKCESI--DLLRRISVRVLRCLADMHSMGIVHRDIKPSNILLRDEKNAEEAIVCDFGLARAGLHRLSEPLDLTDYVVTRWYRPPELLL-MCPYSYPIDIWAVGCVMAEYAMQRPLFAGRDYIHQLQFVLSSIPITGVDFIERSSSSSG------LANMNEI--AKKYKGTRPLPQLLSKLPKDGLELVTEMLAFEPNKRITAQEALKHPFFSSVGGPDCKSYPAPPELDLGFDMHAEVSECQLRRAIWDELQYYRK 3P7A Chain:A ((24-328)) ------------------------------------WEVPERYQNLSPVGS---GSVCAAFDTKTGHRVAVKKLSRPFQSIIHAKRTYRE---LRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIV---KCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDC---ELKILDFG-------------------ATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLAQMPKMNFANVFIGANPL----------AVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADP-------------------------------

General information: TITO was launched using: RESULT: Template: 3P7A.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 : 1267 -75343 -59.47 -271.02 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -59.47 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_3P7A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3P7A-query.scw PDB file : Tito_Scwrl_3P7A.pdb: