Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIRPDIFSEIKQYIDIFHIEPVRKGYSEDMKYLLTAKSGERFLLRITESDNTQILAGRKEMYSLMDTLAKY-SSLVPRSRACWISHNAYSCIMIHEYIEGDDGEESL-HRYSQETQYEIGYRAGIELKKLHQLAAPATLS--SWYTRKKQKHERYCDACNRE---HLAPEELDLEPIHRYIADNIH--LMKNVSQTFQHDDYHPANLIINN----GQLTGIIDFNRYDWGDPIHDFYKLAFFSREISIPFSRGQIDGYFMGNVPSDFWKRYALYNAMSIVPSIVWFSRMASRKEFRDELKRAITLIRTLIDDHKGFTSAIPQWYQ 3TDW Chain:A ((15-305)) ----------QFPDISIQSVESLGEGFRNY-AILV---NG-DWVFRFPKSQQ--GADELNKEIQLLPLLVGCVKVNIPQYVYIGKR-SDGNPFVGYRKVQGQILGEDGMAVLPDDAKDRLALQLAEFMNELSAFPVETAISAGVPVTNLKNKILLLSEAVEDQVFPLLDES--LRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYL-LEDC--GEL-FTRQVMAYRGEVDLDTHIRKVSLFVTFDQVSYLLEGLRARDQD----WISEGLELLEEDKANNFGANS-------

General information: TITO was launched using: RESULT: Template: 3TDW.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 : 1243 -20257 -16.30 -72.87 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -16.30 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_3TDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3tdw-query.scw PDB file : Tito_Scwrl_3TDW.pdb: