Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKMRNLISNYELAKDLLKNWEY--DEENLDEMLSYFR-ISSNAIYPFFYKKKICFLRIAPTDEK-RK-ENIYGEIEFIQYLREHDFKALCPVPSKNGEFIRIVNTKWGEYYATVFEKVAGKPVEACEYSEKMYHEYGKTMGRMHRLSSGFKPII---K---KWTHEDVLNEIETMLT-----LYHC----SNKAKIELENLRVELAKLPKNHLSYGLIHYDFELDNVFYDEK-TNTCSVIDFDDGMYHWYSTDIEQFLDSVSEEKG--------ELEAEQVKIAFFEGYQS--EYPIVEETKNSIPLMRRFINLYSYVRIHHCLSDSFTSEKEWMTELRVKLTNMLKSIEETW 4WH3 Chain:A ((5-307)) ----------NEVLFGIASHFALEGAVTGI----EPYGDGHINTTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAE----IDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNLLTMECGMRF---------------------------------

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 : 1174 8367 7.13 30.76 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 7.13 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.363

(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: