Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDPMNYYRVAREEWREFYRNGQAPLTQDELDNIKSLNDRISMQDVRDIYVPLAHLIYLYMKEFESLFLSKGLFLHKYVEVP----PFIIGIAGSVAVGKSTTARLLQTILSRTFKRRNVQLITTDGFLYPNRILKERGIMDRKGFPESYDMEMLIDFLNRVKSGQEEIKVPVYSHDVYDIIPDKYELIQQPDILIVEGINTLQLPANQQIYVSDFFDFSVYVDADPVLIEKWYLDRFGALLDTAFQNPENYYYRFAIGDREEAFKMAKDVWKNVNLKNLQEYILPTRGRADIILHKTENHIIDSIFMRKY 3AF3 Chain:A ((6-311)) --EPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQ--TGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRK-

General information: TITO was launched using: RESULT: Template: 3AF3.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 : 1421 -31803 -22.38 -105.31 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -22.38 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_3AF3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AF3-query.scw PDB file : Tito_Scwrl_3AF3.pdb: