Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------MEESKELNAVIDVIMLAGTILLKSGSEIHRVEDTMIRIAHSQGIVDCNVLAMPAAIFFSIENTNISRMKRVTSSSYNIEKVCDVNQISRQLVGGQIDLETAFKQLTALQAQPLPYTKLQVTLAATFSAPFFSVMFSGNIYDALGAGVATLFGFAFSLYVEKFIRIPFVTAFAGAFVFGIIAQFWARYTGFPSTADLIIAGAVMPFVPGIALTNAVRDIMTNHINSGMSKMFESLLITLALGAGTSVALVLMN---------------------------------------- 5LJ3 Chain:H ((11-481)) IKFQRENWEMIRSHVSPIISNLTMDNLQESHRDLFQVNILIGRDIICKNVVDFTLNNGRLIPALSALIALLNSDIPDIGETLAKELMLMFVQQFNRKDYVSCGNILQCLSILFLYDVIHEIVILQILLLLLEKNSLRLVIAVMKICGWKLALVSKKTHDMIWEKLRYILQTQ-------ELSSTLRESLETLFEIRQKDYKSCENFNELTMAFDTLRQKLVEFKKKIYLVLKS--SLSGDEAAHKLLKLKIANNLKKSVVDIIIKSSLQE-------STFSKFYSILSERMITFH--RSWQTAYNETFEQNYTQDIEDYE-TDQLRILGKFWGHLISYEFLP--MDCLEESCPQGR-IFIKFLFQELVNELGLDELQLRLNSSKLDGMFPLEGDAEHIRYSINFFTAIGLGLLTEDMRSRL

General information: TITO was launched using: RESULT: Template: 5LJ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 842 -23770 -28.23 -103.35 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain H : 0.57 3D Compatibility (PKB) : -28.23 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.141

(partial model without unconserved sides chains): PDB file : Tito_5LJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LJ3-query.scw PDB file : Tito_Scwrl_5LJ3.pdb: