Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDATLARSLPALLADLWGL--EDVDVRPLGGGMNSATCLVTATGGDRFVAKWS-SD----A-ESLEAGCSAATLLGRQGVRTGEPVGSTAGAPVVAMAGGALALLRHVPGRELDG--DSGHEQQLIGTALATAHTAGCPASDTG--P---FMSEWLY-PAEDVLAVA--------------TWLPPALAEIRREYNAL--PQLTWTQLHTDPAPEAFIHDDA--TGSTGLIDWAGSRRGPALYDVASAVMYLG---------------GPQQAEQFLSSYAD--RGPVENDELALLDIFRRFRWAIQASYFAGRIVADDRTGIVDDTDHNTEALARARRGLAEAR 4WH3 Chain:A ((7-302)) ---------VLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTDG-PRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMD-ATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNLLTME---------------------------------------

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 : 1033 -7938 -7.68 -32.40 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -7.68 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.412

(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: