Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKQYRVLLYYKYVPIEDPEAFREQHLAFCKELGLLGRILVSSEGINGTVSGTVEQTEKYMETMKADPRFADMVFKIDEAEGHAFKKIFVRHKKELVTLRLEDDVDPNETTGQHLKPAEFYEKMQ--DPNTIVIDARNDYEYD-LGHFRGAVRPDIEAFRELPEWIEEH-K-DMLEGKKILTYCTGGVRCEKFSGWLVKQGFEDVAQLDGGIVTYGKDPEVQGKLWDGQCYVFDERISVPVNRVEHVIVGKDYFTGEPCERYVNCANPSCNKKMICTPENEYKYMRSCSHECRTNPRNLYVKEHNMTEEEVNARLAAIETEDHAAAE 2HHG Chain:A ((18-127)) ------------------------------------------------------------------------------------------------------------NSSIETLTTADAIALHKSGASDVVIVDIRDPREIERDGKIPGSFSCTRGMLEFWIDPQSPYAKPIFQEDKKFVFYCAGGLRSALAAKTAQDMGLKPVAHIEGGFGAWRDA-------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2HHG.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 : 490 -55816 -113.91 -531.58 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -113.91 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_2HHG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HHG-query.scw PDB file : Tito_Scwrl_2HHG.pdb: