Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAQLFVVATPIGHLDDMTFRAIDILKSVSVVAAEDTRQSAQLFKHYNISTPLTACHDHNESNKIEQLVQKLLAGENIALISDAGTPLISDPGFKLVRAAQE----HGIRVVPVPGACAAIAALSAVGLPS-DRFSFEGFLPSKAS--QRITQLEKLKNETQTLIFYEAPH-----RILECVKNMAEVFGENRPVGFAREITKTFETIKKMTLKDLVSFIENDHNQEKGEIVLVVGGAPEKTDQEQEKLDELLKRLLQDLSVKAASQLAADLTGIKKKVAYQRALELTQS 3NUT Chain:C ((7-237)) MSGWVTVAGLGPGREDLVTPEVTAALAEATDIVGYI-PYVARIAPREG--LTLHPTDNRVELDRATHALEMAAEGRRVVVVS-SGDPGVFAMASALFEALEAHPEHAGTEIRILPGITAMLAAAAAAGAPLGHDFCAINLSDNLKPFEILEKRLRHAARGDFAMAFYNPRSKSRPHQFTRVLEILREECEPGRLILFARAVTTPEQAISVVELRDATPE------MADMRTVVLVGNAATR-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NUT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1045 -73172 -70.02 -334.12 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.69 3D Compatibility (PKB) : -70.02 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_3NUT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NUT-query.scw PDB file : Tito_Scwrl_3NUT.pdb: