Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHQVYIDLIMSVLLEQFETEKNFL-------DEYLLISPEQWQKWKDGEKNLPSEAMQKVKNLFTDYEWMLTQKILRQTIIFPEKRNVAVAE-----------YKQIKTRIAQKWLSSKAAKVELIPLKNNQQAGRYLDLKVSIQYDEWGYDDILNFRLPADVQKQIEGEKIELLDWVNENLEETYVHEANGEREEQRKDFSSE 4MAG Chain:A ((196-301)) ----------------YEVQKNLAMTHHIVNDQMVIISESTWQKLSDTDKDIIQKAVQKVGDAHT--QTVKTQEAELVSFFKSEGINVTYPDLEPFREAMQPLYKEFDSNIGQPIVSKLAAMLQ--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4MAG.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 : 108 3878 35.91 44.07 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 35.91 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.251

(partial model without unconserved sides chains): PDB file : Tito_4MAG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MAG-query.scw PDB file : Tito_Scwrl_4MAG.pdb: