Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIKKFTAASMQEAALLIRKELGNEAVILNSKKIKKRKWFGLVNKPAVEVIAVLDQDFLEKKTPQKAAEPKQTLKTPVSSPKIEERTYPPQIPAQQELGDFSAYQSVLPEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR 2PX0 Chain:C ((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 C - contact count / total energy / energy per contact / energy per residue : 1282 -155792 -121.52 -603.84 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain C : 0.86 3D Compatibility (PKB) : -121.52 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.618

(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: