Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKPIRPEKEELKEKLSPMAYAVTQENATERPFSGKYDDFYEKGIYVDIVSGEPLFSSAEKYDAGCGWPSFSKPITKRQVREKADFSHGMHRIEVRSKEADSHLGHVFTDGPVDQGGLRYCINSASLKFIPYEKMDELGYGEFKSLVE 3HCG Chain:A ((4-146)) -----KPSDAELKRTLTEEQYQVTQNSATEYAFSHEYDHLFKPGIYVDVVSGEPLFSSADKYDSGCGWPSFTRPIDAKSVTEHDDFSYNMRRTEVRSHAADSHLGHVFPDGPRDKGGLRYCINGASLKFIPLEQMDAAGYGALKSKVK

General information: TITO was launched using: RESULT: Template: 3HCG.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 : 734 -36131 -49.22 -252.66 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -49.22 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_3HCG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HCG-query.scw PDB file : Tito_Scwrl_3HCG.pdb: