Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MTMTMTQQMITIAMVVLGTMLTRFLPFMIFPSGKPTPKYVQYLGKVLPSAVIGLLVIYCLK---DVSLLS----GSHGIPELVGAAAVVLLHLWKKNMLLSIAGGTVVYMVLVQLVF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3WAJ Chain:A ((15-868)) SVLVIAALISVKLRILNPWNSVFTWTVRLGGNDPWYYYRLIENTIHNFPHRIWFDPFTYYPYGSYTHFGPFLVYLGSIAGIIFSATSGESLRAVLAFIPAIGGVLAILPVYLLTREVFDKRAAVIAAFLIAIVPGQFLQRSILGFNDHHIWEAFWQVSALGTFLLAYNRWKGHDLTARQMAYPVIAGITIGLYVLSWGAGFIIAPIILAFMFFAFVLAGFVNADRKNLSLVAVVTFAVSALIYLPFAFNYPGFSTIFYSPFQLLVLLGSAVIAAAFYQIEKWNDVGFFERVGLGRKGMPLAVIVLTALIMGLFFVLTNAVLHFGALFFFGMAGILYSAYRFLKRRSFPEMALLIWAIAMFIALWGQNRFAYYFAAVSAVYSALALSVVFDKLHFRVAFALLIALAAIYPTYILADAQSSYAGGPNKQWYDALTWMRENTPDGEKYDEYYLQLYPTPQSNKEPFSYPFETYGVISWWDYGHWIEAVAHRMPIANPFQAGIGNKYNNVPGASSFFTAENESYAEFVAEKLNVKYVVSDIEMETGKYYAMAVWAEGDLPLAEKYYGGYFYYSPTGTFGYANSQWDIPLNSIIIPLRIPSELYYSTMEAKLHLFDGSGLSHYRMIYESDYPAEWKSYSSQVNLNNESQVLQTALYEAVMRARYGVSPTMGTQEVLYKYAYTQLYEKKMGIPVKIAPSGYVKIFERVKGAVVTGKVSANVTEVSVNATIKTNQNRTFEYWQTVEVKNGTYTVVLPYSHNSDYPVKPITPYHIKAGNVVKEITIYESQVQNGEIIQLDL

General information: TITO was launched using: RESULT: Template: 3WAJ.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 : 311 -55670 -179.00 -506.09 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.45 3D Compatibility (PKB) : -179.00 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.45 QMean score : 0.183

(partial model without unconserved sides chains): PDB file : Tito_3WAJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WAJ-query.scw PDB file : Tito_Scwrl_3WAJ.pdb: