Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVETAYAEPPLAAWSSI-LTAPRAQRMAHLNPDVRLWSVTADDRSYIVRSFGRWR--PGAG-MVDEYRVLLHLKDAGFPVAVPIVTDAGTLAARDGHRTYVLVPRLAAEKQEEL-PTGDVCFQIGSAIGNLHAALAQYPWPV-RSY--EHDVLQQAFDEALQKLPQAV-----RES----SVRPHQAVVTSSL-----RGLPRQLIHGDCNAGNILVSR--GRVSGVIDLDQLRAAMLAAE-ITLTSWSHVLLTERRDRARPDERARYDAGVAALSWISRHFAELNAALA 4WH3 Chain:A ((5-244)) ---NEVLFGIASHFALEGAVTGIEPYGDGHIN--TTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDS---------------------------------------------

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 : 694 4656 6.71 21.66 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 6.71 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.355

(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: