Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPELPEVETVCRGLEKLIIGKKISSIEIRYPKMIK--TDLEEFQRELPSQIIESMGRRGKYLLFYLTDKVLISHLRMEGKYFYYPDQGPERKHAHVFFHFEDGGTLVYEDVRKFGTMELLVPDLLDAYFISKKLGPEPSEQDFDLQVFQAALAKSKKPIKSHLLDQTLVAGLGNIYVDEVLWRAQVHPARPSQTLTAEEATAIHDQTIAVLGQAVEKGGSTIRTYTNAFGEDGSMQDFHQVYDKTGQECVRCGTIIEKIQLGGRGTHFCPNCQRRD 3JR4 Chain:A ((1-273)) -PQLPEVETIRRTLLPLIVGKTIEDVRIFWPNIIRHPRDSEAFAARMIGQTVRGLERRGKFLKFLLDRDALISHLRMEGRYAVASALEPLEPHTHVVFCFTDGSELRYRDVRKFGTMHVYAKEEADRRPPLAELGPEPLSPAFSPAVLAERAVKTKRSVKALLLDQTVVAGFGCIYVDESLFRAGILPGRPAASLSSKEIERLHEEMVATIGEAVMKGGST----------AGTFQHHLYVYGRQGNPCKRCGTPIEKTVVAGRGTHYCPRCQR--

General information: TITO was launched using: RESULT: Template: 3JR4.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 : 1377 12666 9.20 48.53 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : 9.20 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_3JR4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JR4-query.scw PDB file : Tito_Scwrl_3JR4.pdb: