Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANFIEKITYLGTPAIKAGNEHLEMIVVPEWGSNVISLVDKTTNVQLLREPETAESFHDTPTLYGIPILFPPNRISDGTFSFRGRTYHFDINEKDKHNHLHGFLYHEKWNVVTTKQTDEGVIVETEIDLSELPHVQKQFPHHAVVRMTYTIKENTLFKHATVMNKGKEAFPWGIGYHTTFIFPAESSLFSLTADQQWELDERLLPTGKLMDVPY-KEALHEGMDLRHKQLDDVFLSSYQKRGGENQAVIYHQHAHISIIYKADEQFKHWVVYNADG------KQGYLCPEPYTWVTNAVNLDLPSSLTGLQVLEPGEETTAKSSITIELNHQ 3NRE Chain:A ((1-290)) -----------GMTIYTLSHGSLKLDVSD-QGGVIEGFWRDT--TPLLRPGKKSG-V--ATDASCFPLVPFANRVSGNRFVWQGREYQLQPNVEWDAHYLHGDGWLGEWQCVSHSD----DSLCLVYEHR-------SGVYHYRVSQAFHLTADTLTVTLSVTNQGAETLPFGTGWHPYFPLS-PQTRIQAQASGYWLERE-QWLAGEFCEQLPQELDFNQPAPLPRQWVNNGFAG----WN--GQARIEQPQEGYAIIMETTPPAPCYFIFVSDPAFDKGYAFDFFCLEPMSHAPDDHHRPEG---GDLIALAPGESTTSEMSLRVEW---

General information: TITO was launched using: RESULT: Template: 3NRE.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 : 1651 -74760 -45.28 -264.17 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -45.28 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_3NRE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NRE-query.scw PDB file : Tito_Scwrl_3NRE.pdb: