Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPKQIDTILINIGQLLTMESSGPRAGKSMQDLHVIEDAVVGIHEQ-KIVFAGQKGAEA--GYEADEIIDCSGRLVTPGLVDPHTHLVFGGSREKEMNLKLQGISYLDILAQGGGILSTVKDTRAASEEELLQKAHFHLQRMLSYGTTTAEVKSGYGLEKETELKQLRVAKKLHESQPVDLVSTFMGAHAIPPEYQNDPDDFLDQ-MLSLLPEIKEQELASFADIFTETGVFTVSQSRRYLQKAAEAGFGLKIHADEIDPLGGAELAGKLKAVSADHLVGTSDEGIKKLAEAGTIAVLLPGTTFYLGKSTYARARAMIDEGVCVSLATDFNPGSSPTENIQLIMSIAALHLKMTAEEIWHAVTVNAAYAIGKGEEAGQLKAGRSADLVIWQAPNYMYIPYHYGVNHVHQVMKNGTIVVNREGAILG 2PUZ Chain:A ((15-418)) ----ATALWRNA-QLATLNPA-----MDG--IGAVENAVIAV-RNGRIAFAGPESDLPDDLSTADETTDCGGRWITPALIDCHTHLVFGGNRAMEFEMRLNGATYEEIAKAGGGIVSSVRDTRALSDEVLVAQALPRLDTLLSEGVSTIEIKSGYGLDIETELKMLRVARRLETLRPVRIVTSYLAAHATPADYKGRNADYITDVVLPGLEKAHAEGLADAVDGFCEGIAFSVKEIDRVFAAAQQRGLPVKLHAEQLSNLGGAELAASYNALSADHLEYLDETGAKALAKAGTVAVLLPGAFYALREKQLPPVQALRDAGAEIALATDCNPGTSPLTSLLLTMNMGATLFRMTVEECLTATTRNAAKALGLLAETGTLEAGKSADFAIWDIERPAELVYRIGFNPLHARIFKGQKVS--------

General information: TITO was launched using: RESULT: Template: 2PUZ.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 : 2590 -13113 -5.06 -32.78 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -5.06 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_2PUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUZ-query.scw PDB file : Tito_Scwrl_2PUZ.pdb: