Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEIQDYTDSEFKHALARNLRSLTRGKKSSKQPIAILLGGQSGAGKTTIHRIKQKEFQGNIVIIDGDSFRSQHPHYLELQQEYGKDSVEYTKDFAGKMVESLVTKLSSLGYNLLIEGTLRTIDVPKKTAQLLKNKGYEVQLALIATKPELSYLSTLIRYEELYIINPNQARATPKEHHDFIVNHLVDNTRKLEELAIFERIQIYQRDRSCVYDSKENTTSAADVLQELLFGEWSQVEKEMLQVGEKRLNELLEK 2P5T Chain:H ((1-253)) MEIQDYTDSEFKHALARNLRSLTRGKKSSKQPIAILLGGQSGAGKTTIHRIKQKEFQGNIVIIDGDSFRSQHPHYLELQQEYGKDSVEYTKDFAGKMVESLVTKLSSLGYNLLIEGTLRTVDVPKKTAQLLKNKGYEVQLALIATKPELSYLSTLIRYEELYIINP-----------DFIVNHLVDNTRKLEELAIFERIQIYQRDRSCVYDSKENTTSAADVLQELFFGEWSQVEKEMLQVGEKRLNELLEK

General information: TITO was launched using: RESULT: Template: 2P5T.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1057 -94081 -89.01 -388.76 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain H : 0.99 3D Compatibility (PKB) : -89.01 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.99 QMean score : 0.594

(partial model without unconserved sides chains): PDB file : Tito_2P5T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2P5T-query.scw PDB file : Tito_Scwrl_2P5T.pdb: