Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSSDPTPARPTGFQRYQRQHKVGEGSYGKVFLCTDVVEGGTVAVKTSQWNSGEEGLSVSSIREVSLLKEIRHPNVVRLLDLFTEEKKLCIVFERMEKDLRSVL-STRQTPIVGRKLKHMMYQLLSALHACHSRRVVHRDIKPGNILVSADEQTVKLADFGMGRAFGLALQSYTYRIATLYYRAPEVLLGDRYYLPSVDMWSMGCVMAELALRRALFRGEGEYSQLITIFGIMGTPNERVWPGVSRLPHYNAEFPSWVPTSLEKYIPTLDPEGIALLKAMLRYDPQRRITALQAMQHPFFDDVRDECEARLQQQQP 3PXQ Chain:A ((6-297)) ----------PEFMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR----TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINT-EGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDV-------------

General information: TITO was launched using: RESULT: Template: 3PXQ.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 : 1412 -79655 -56.41 -277.54 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -56.41 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.475

(partial model without unconserved sides chains): PDB file : Tito_3PXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PXQ-query.scw PDB file : Tito_Scwrl_3PXQ.pdb: