Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNIFKPAPHIERLDDSKMDAAYKRLRLQVFIGIFIGYAGYYLLRKNFAFAIPYLQ-EQ-GFSKTELGLVLAAVSIAYGFSKFIMGMVSDRCNPRYFLATGLFLSAIVNILFVSMPWVTSSVTIMFIFMFINGWFQGMGWPPCGRTMAHWFSISERGTKMSIWNVAHNIGGGILAPLVTLGIAMFVTWKSVFFFPAIIAIIISFLIVLLVRDTPQSCGLPPIEEYRNDYPKHAFKNQEKELTTKEILFQYVLNNKFLWYIAFANVFVYFVRYGVVDWAPTYLTEAKGFSPEDSR---WSYFLYEYAGIPGTILCGWISDRFFKSRRAPAGVLFMAGVFIAVLVYWLNPAGNPLVDNIALISIGFLIYGPVMLIGLQAIDLAPKKAAGTAAGLTGFFGYIGGSAFANAIMGFVVDRFNWNGGFIMLISSCILAIVFLALTWNTGKRAEHV 3WDO Chain:A ((30-381)) ----------------------------------------------MVLPVLTTYGMALQGASEALIGIAIGIYGLTQAVFQIPFGLLSDRIGRKPLIVGGLAVFAAGSVIAAL----SDSIWGIILGRALQGSGA--IAAAVMALLSDLTREQNRTKAMAFIGVSFGITFAIAMVLGPIITHK-LGLHALFWMIAILATTGIALTIWVVPNSSTHVLN---RES----------------GMVKGSFSKVLAEPRLLKLNFGIMCLHMLLMSTFVALPGQLAD-AGFPAAEHWKVYLATMLIAFGSVVPFIIYAEVKRKM---KQVFV-F-CVGLIVVAEIVLWN-AQTQFWQLVVGVQLFFVAFNLMEALLPSLISKESPAGYKGTAMGVYSTSQFLGVAIGG-SLGGWIDGMFDGQGVFLAGAMLAAVW-----------------

General information: TITO was launched using: RESULT: Template: 3WDO.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 : 1663 -270582 -162.71 -779.77 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -162.71 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.273

(partial model without unconserved sides chains): PDB file : Tito_3WDO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WDO-query.scw PDB file : Tito_Scwrl_3WDO.pdb: