Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIKKFTAASMQEAALLIRKELGNEAVILNSKKIKKRKWFGLVNKPAVEVIAVLDQDFLEKKTPQKAAEPKQTLKTPVSSPKIEERTYPPQIPAQQELGDFSAYQSVLPEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR 2PX0 Chain:E ((39-296)) ------------------------------------------------------------------------------------------------------------PEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR

General information: TITO was launched using: RESULT: Template: 2PX0.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1304 -173147 -132.78 -671.11 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain E : 0.86 3D Compatibility (PKB) : -132.78 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.658

(partial model without unconserved sides chains): PDB file : Tito_2PX0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PX0-query.scw PDB file : Tito_Scwrl_2PX0.pdb: