Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGIILAGGSGTRLYPLTKATSKQLMPIYDKPMIYYPMSTLMLAGIKEILIISTPQDTPRFKELFGNGNDLGLQIEYAVQESPDGLAQAFIIGEEFIGDDSVCLVLGDNIYYGGGLSKMLQRAASKDTGATVFGYHVNDPERFGVVEFDENMQALSIEEKPAQPKSNYAVTGLYFYDNEVISIAKGIKPSERGELEITDVNKAYLDKGKLSVELMGRGFAWLDTGTHESLLEASTFIETIEKRQNLKVACLEEIAYRMGYIDKEQLLALAQPLKKNQYGQYLLNLAAE 3PKP Chain:J ((5-289)) -KGIILAGGSGTRLYPVTMAVSKQLLPIYDKPMIYYPLSTLMLAGIRDILIISTPQDTPRFQQLLGDGSQWGLNLQYKVSPSPDGLAQAFIIGEEFIGHDDCALVLGDNIFYGHDLPKLMEAAVNKESGATVFAYHVNDPERYGVVEFDQKGTAVSLEEKPLQPKSNYAVTGLYFYDNSVVEMAKNLKPSARGELEITDINRIYMEQGRLSVAMMGRGYAWLDTGTHQSLIEASNFIATIEERQGLKVSCPEEIAFRKNFINAQQVIELAGPLSKNDYGKYLLKMV--

General information: TITO was launched using: RESULT: Template: 3PKP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1522 -208398 -136.92 -731.22 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain J : 0.93 3D Compatibility (PKB) : -136.92 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.642

(partial model without unconserved sides chains): PDB file : Tito_3PKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PKP-query.scw PDB file : Tito_Scwrl_3PKP.pdb: