Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSSDPTPARPTGFQRYQRQHKVGEGSYGKVFLCTDVVEGGTVAVKTSQWNSGEEGLSVSSIREVSLLKEIRHPNVVRLLDLFTEEKKLCIVFERMEKDLRSVL-STRQTPIVGRKLKHMMYQLLSALHACHSRRVVHRDIKPGNILVSADEQTVKLADFGMGRAFGLALQSYTYRIATLYYRAPEVLLGDRYYLPSVDMWSMGCVMAELALRRALFRGEGEYSQLITIFGIMGTPNERVWPGVSRLPHYNAEFPSWVPTSLEKYIPTLDPEGIALLKAMLRYDPQRRITALQAMQHPFFDDVRDECEARLQQQQP 1GIJ Chain:A ((2-289)) --------------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR-----------AIREISLLKELNHPNIVKLLDVIHTENKLYLVFEHVHQDLKTFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINT-EGAIKLADFGLA--------------VTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDV-------------

General information: TITO was launched using: RESULT: Template: 1GIJ.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 : 1259 -74854 -59.46 -285.70 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -59.46 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.593

(partial model without unconserved sides chains): PDB file : Tito_1GIJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GIJ-query.scw PDB file : Tito_Scwrl_1GIJ.pdb: