Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPELPEVETVCRGLEKLIIGKKISSIEIRYPKMIK--TDLEEFQRELPSQIIESMGRRGKYLLFYLTDKVLISHLRMEGKYFYYPDQGPERKHAHVFFHFEDGGTLVYEDVRKFGTMELLVPDLLDAYFISKKLGPEPSEQDFDLQVFQAALAKSKKPIKSHLLDQTLVAGLGNIYVDEVLWRAQVHPARPSQTLTAEEATAIHDQTIAVLGQAVEKGGSTIRTYTNAFGEDGSMQDFHQVYDKTGQECVRCGTIIEKIQLGGRGTHFCPNCQRRD 3GPU Chain:A ((1-256)) -PELPEVETIRRTLLPLIVGKTIEDVRIFWPNIIRHPRDSEAFAARMIGQTVRGLERRGKFLKFLLDRDALISHLRMEGRYAVASALEPLEPHTHVVFCFTDGSELRYRDVRKFGTMHVYAKEEADRRPPLAELGPEPLSPAFSPAVLAERAVKTKRSVKALLLDCTVVAGFGNIYVDESLFRAGILPGRPAASLSSKEIERLHEEMVATIGEAVM----------------------LYVYGRQGNPCKRCGTPIEKTVVAGRGTHYCPRCQR--

General information: TITO was launched using: RESULT: Template: 3GPU.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 : 1295 -5085 -3.93 -20.42 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -3.93 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_3GPU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GPU-query.scw PDB file : Tito_Scwrl_3GPU.pdb: