Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFHPIEEALDALKKGEVIIVVDDEDRENEGDFVALAEHATPEVINFMATHGRGLICTPLSEEIADRLDLHPMVEHNTDSHHTAFTVSIDHRE-TKTGISAQERSFTVQALLDSKSVPSDFQRPGHIFPLIAKKGGVLKRAGHTEAAVDLAEACGSPGAGVICEIM-NEDGTMARVPELIEIAKKHQLKMITIKDLIQYRYNLTTLVEREVDITLPTDFGTFKVYGYTNEVDGKEHVAFVMGDVPFGEEPVLVRVHSECLTGDVFGSHRCDCGPQLHAALNQIAAEGRGVLLYLRQEGRGIGLINKLKAYKLQEQGYDTVEANEALGFLPDLRNYGIGAQILRDLGVRNMKLLTNNPRKIAGLEGYGLSISERVPLQMEAKEHNKKYLQTKMNKLGHLLHF 1TKU Chain:B ((4-201)) IFTPIEEALEAYKNGEFLIVMDDEDRENEGDLIMAAELITQEKMAFLVRYSSGYVCVPLSEERANQLELPPMLA------GTAYTITCDFAEGTTTGISAHDRALTTRSLANPNSKPQDFIKPGHILPLRAVPGLLKKRRGHTEAAVQLSTLAGLQPAGVICELVRDEDGLMMRLDDCIQFGKKHGIKIININQLVEY----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1TKU.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 : 1084 -87752 -80.95 -461.85 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -80.95 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_1TKU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1TKU-query.scw PDB file : Tito_Scwrl_1TKU.pdb: