Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MPLTPNDIHNKTFTKSFRGYDEDEVNEFLAQVRKDYEIVLRKKTELEAKVNELDERIGHFANIEETLNKSILVAQEAAEDVKRNSQKEAKLIVREAEKNADRIINESLSKSRKIAMEIEELKKQSKVFRTRFQMLIEAQLDLLKNDDWDHLLEYEVDAVFEEKE 4UG1 Chain:A ((1-70)) GSHMTSEQFEYHLTGKEILEKEFKTGLRGYSPEDVDEFLDMVIKDYSTFTQEIEALQAENIRLVQELDNA--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4UG1.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 : 56 -7342 -131.10 -122.36 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -131.10 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.740

(partial model without unconserved sides chains): PDB file : Tito_4UG1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UG1-query.scw PDB file : Tito_Scwrl_4UG1.pdb: