Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYYEKAVQKTINWIESHLHEQISNEDIVNVSSFSKFHFHRIFQKEVGMSVASYIRLRRLANAAAALLYTDHRIIDIALYYQFESQEAFTRTFKKMYHMPPGAYRTFMKRFTSKKEESYMEKKMKGWVLSGSHPFQFEMGIDRENVHQGKASGYLKSTMVQDIGEFATMMQQFKADRYLGKRLRLSSFIKTKGVQHFASLWMRVDSAADDVLQFDNMSNRPITGTTNWNHYAIVLDVPENSAVISFGVQLSGPGQVWMDHVVFEEVDESVPSTNLEMPGELLDEPVNLSFEEELQK 3OOU Chain:A ((4-107)) ---SPIIQNVLSYITEHFSEGMSLKTLGNDFHINAVYLGQLFQKEMGEHFTDYLNRYRVNYAKEELLQTKDNLTIIAGKSGYTDMAYFYRQFKKHTGETPNRYRKIH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 353 -47600 -134.84 -457.69 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -134.84 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.581

(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: