Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAQSKVLITGASSGIGSVYADRFAQRGYHLILVARDTNRLDKISKDLQEKYGLQVEFIQADLSNDQDIRKIE-DVLKNDADIEILVNNAGIALNGNFLTQDRNEIEKLLTLNITAVVRLSHAMSQSLIRKGKGAIINLGSVLGLAPEFGSTIYGASKSFIQFFSQGLHLELKD---HGVHVQAVLPSATKTEIWERSGIDLSQVPPLMDVNDLVDAALIGFDRKETIT-IPVLKDENQWNNFEKSRMTLLPNFSSAEVAQRYKN 1YB1 Chain:A ((29-268)) -VTGEIVLITGAGHGIGRLTAYEFAKLKSKLVLWDINKHGLEETAAKCKG-LGAKVHTFVVDCSNREDIYSSAKKVKAEIGDVSILVNNAGVVYTSDLFATQDPQIEKTFEVNVLAHFWTTKAFLPAMTKNNHGHIVTVASAA-HVSVPFLLAYCSSKFAAVGFHKTLTDELAALQITGVKTTCLCPNFVNTGFIKNPSTS---LGPTLEPEEVVNRLMHGILTEQKMIFIPSS-----IAFLTT-LERIL--------------

General information: TITO was launched using: RESULT: Template: 1YB1.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 : 1230 -78168 -63.55 -334.05 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -63.55 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.508

(partial model without unconserved sides chains): PDB file : Tito_1YB1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YB1-query.scw PDB file : Tito_Scwrl_1YB1.pdb: