Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDFAEWVRVAFGLGEGPLVRTVGGRGADGDVWHLRVRDREYAVKRPFRAF--DP-AAVRHEAALLEHLTSGGVEVPTHVASPEGQLVVEVPDHLGGGNARVSHWVTGTSVTDR--TSEVAEQLGTLLAQLHRAAPATWDRPRSWHT-A---MVPPDEWAELVRRSSGQP---WHQALVA---RHD-DLTAYAEVVDRAGPGTGPFVLGHCDLHPDNALAAP--DGSLRALDWEDCGPVDPTRELAKTLVQWHVLG---------ESVDDDAITKTVAAYRD--AGGPGLLADTPDFAMVLCSETNFLANQVRLALDVSAPGERRDQARGEITEALADYLPSIAALERVLSVTRPG 4WH3 Chain:A ((6-288)) --EVLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEI----DGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEF-D-ASQLTETIAHFHDTPHRFEDFKA-ALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITARE----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WH3.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 : 1043 -7504 -7.19 -29.54 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -7.19 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.295

(partial model without unconserved sides chains): PDB file : Tito_4WH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh3-query.scw PDB file : Tito_Scwrl_4WH3.pdb: