Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPELPEVETVCRGLEKLIIGKKISSIEIRYPKMIK--TDLEEFQRELPSQIIESMGRRGKYLLFYLTDKVLISHLRMEGKYFYYPDQGPERKHAHVFFHFEDGGTLVYEDVRKFGTMELLVPDLLDAYFISKKLGPEPSEQDFDLQVFQAALAKSKKPIKSHLLDQTLVAGLGNIYVDEVLWRAQVHPARPSQTLTAEEATAIHDQTIAVLGQAVEKGGSTIRTYTNAFGEDGSMQDFHQVYDKTGQECVRCGTIIEKIQLGGRGTHFCPNCQRRD 3U6O Chain:A ((1-273)) -PQLPEVETIRRTLLPLIVGKTIEDVRIFWPNIIRHPRDSEAFAARMIGQTVRGLERRGKFLKFLLDRDALISHLRMEGRYAVASALEPLEPHTHVVFCFTDGSELRYRDVRKFGTMHVYAKEEADRRPPLAELGPEPLSPAFSPAVLAERAVKTKRSVKALLLDCTVVAGFGNIYVDESLFRAGILPGRPAASLSSKEIERLHEEMVATIGEAVM---------------------HLYVYGRQGNPCKRCGTPIEKTVVAGRGTHYCPRCQR--

General information: TITO was launched using: RESULT: Template: 3U6O.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 : 1298 -5643 -4.35 -22.57 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -4.35 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_3U6O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U6O-query.scw PDB file : Tito_Scwrl_3U6O.pdb: