Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYYEKAVQKTINWIESHLHEQISNEDIVNVSSFSKFHFHRIFQKEVGMSVASYIRLRRLANAAAALLYTDHRIIDIALYYQFESQEAFTRTFKKMYHMPPGAYRTFMKRFTSKKEESYMEKKMKGWVLSGSHPFQFEMGIDRENVHQGKASGYLKSTMVQDIGEFATMMQQFKADRYLGKRLRLSSFIKTKGVQHFASLWMRVDSAADDVLQFDNMSNRPITGTTNWNHYAIVLDVPENSAVISFGVQLSGPGQVWMDHVVFEEVDESVPSTNLEMPGELLDEPVNLSFEEELQK 3OOU Chain:A ((7-104)) ------IQNVLSYITEHFSEGMSLKTLGNDFHINAVYLGQLFQKEMGEHFTDYLNRYRVNYAKEELLQTKDNLTIIAGKSGYTDMAYFYRQFKKHTGETPNRYR-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3OOU.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 : 327 -42220 -129.11 -430.82 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -129.11 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.617

(partial model without unconserved sides chains): PDB file : Tito_3OOU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OOU-query.scw PDB file : Tito_Scwrl_3OOU.pdb: