Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKLNALLCSAVLATSMVTVAHADNTTHVAAASALGSIAGTAIGKSMGGTNGGYIGAALGAAGGSALGNKISKDRDADRSSKYWKKN---TVIIVTNYRDEIGLKTPSGVFL 2GRG Chain:A ((1-98)) --MKSSIPITEVLPRAVGSLTFDENYNLLDTSGVAKVIEKSPIAEIIRKSNAEL----------GRLGYSVYED--AQYIGHAFKKAGHFIVYFTPKNKNREGVVPPVGITN

General information: TITO was launched using: RESULT: Template: 2GRG.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 : 436 -16034 -36.78 -168.78 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -36.78 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.112

(partial model without unconserved sides chains): PDB file : Tito_2GRG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GRG-query.scw PDB file : Tito_Scwrl_2GRG.pdb: