Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASNAAANGSFGSSANAVQLVSTQRGRKVYCVRGQSFDIDDNYTVTSVIGHGAYGVVCAALDDRTFQEVAIKRVSRVFEDLIDGRRIWREILLLRILKECGCRNVLRLIRVLPPRDPIMEFRDLYLVTDLYDIDLFSIIRQNKCESIDLLRRISVRVLRCLADMHSMGIVHRDIKPSNILLRDEKNAEEAIVCDFGLARAGLHRLSEPLDLTDYVVTRWYRPPELLL-MCPYSYPIDIWAVGCVMAEYAMQRPLFAGRDYIHQLQFVLSSI-PITGV------D------------FIERSSSSSGLANMNEIAKKYKGTR--PLPQLLSKLPKDGLELVTEMLAFEPNKRITAQEALKHPFFSSVGGPDCKSYPAPPELDLGFDMHAEVSECQLRRAIWDELQYYRK 3N9X Chain:B ((23-407)) -------------------------------------HVPDNYIIKHLIGRGSYGYVYLAYDKNTEKNVAIKKVNRMFEDLIDCKRILREITILN---RLKSDYIIRLYDLIIPDDL-LKFDELYIVLEIADSDLKKLFKTPIFLTEEHIKTILYNLLLGENFIHESGIIHRDLKPANCLLNQDCS---VKVCDFGLARTIN----------SHVVTRWYRAPELILLQENYTKSIDIWSTGCIFAELLNMLQSHINDPTNRFPLFPGSSCF-----HEKSNRDQLNIIFNIIGTPTEDDLKNI-KPEVIKYI-KLFPHRKPINLKQKYPSISDDGINLLESMLKFNPNKRITIDQALDHPYLKDVRKKKLE---TKK-IILPFDDWMVLSETQLRYIFLKEVQSF--

General information: TITO was launched using: RESULT: Template: 3N9X.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1562 -128158 -82.05 -401.75 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -82.05 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_3N9X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N9X-query.scw PDB file : Tito_Scwrl_3N9X.pdb: