Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRIALLDYGMGNLHSAAKALEYVGATVDVTNDP---KL--IAQADKIVFPGVGAMRDC--MQGMREAGIDEVVRK-AAFNKPVLAICVGMQALLQSSEENGGVDALGIFDGVVKHFPQMEGLKVPHMGWNQVHQMD------------------------------PSHPMWNNIEQ-DARFYFVHSYYVEPKDE-NLVAATCEYGVNFCTAI-HKDNLFATQFHPEKSH-TAGLQLLKNFVEWNI 4WIN Chain:A ((18-240)) YDKILVLNFGSQYFHLIVKRLNNIKIFSETKDYGVELKDIKDMNIKGVILSGGPYSVTEAGSPHLK----KEVFEYFLEKKIPIFGICYGMQEIAVQMNG------------EVKKSK------TSEYGCTDVNILRNDNINNITYCRNFGDSSSAMDLYSNYKLMNETCCLFENIKSDITTVWMNHNDEVTKIPENFYLVSSSENC-LICSIYNKEYNIYGVQYHPEVYESLDGELMFYNFAYNI-

General information: TITO was launched using: RESULT: Template: 4WIN.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 : 755 -17053 -22.59 -94.22 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -22.59 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_4WIN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WIN-query.scw PDB file : Tito_Scwrl_4WIN.pdb: