Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPSKAFETLPNIYLVGPMGAGKTTVGRHLAELLGREFLDSDHEIERKTGATIPWIFEKEGEVGFRTRETVVLNELTSRKALVLATGGGAITQAPNREFLKQRGIVVYLYTPVE---LQLQRTYRDKNRPLLQVENPEQKLRDLLKIRDPLYREVAHYTIETNQGAARDLAQKILQLILSNKLK 2SHK Chain:B ((5-155)) -----------IFMVGARGCGKTTVGRELARALGYEFVDTDIFMQHTSGMTVADVVAAEGWPGFRRRESEALQAVATPN-RVVATGGGMVLLEQNRQFMRAHGTVVYLFAPAEELALRLQ----------LTGRPIAEEMEAVLREREALYQDVAHYVVDATQ--------------------

General information: TITO was launched using: RESULT: Template: 2SHK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 614 -58703 -95.61 -425.38 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -95.61 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_2SHK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2SHK-query.scw PDB file : Tito_Scwrl_2SHK.pdb: