Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLVVFSGAGMSAESGISTFRDSNGLWENYDIQQVATPEAWERNPALVQRFYNERRKNILEAQPNEAHQYIAKLQDHYDVQ-----VITQNIDDPHERAGSQNVLHLHGNIRLAKS------------------SGPDA-QYTTQFYEVNGWKL-DLEQDFCPNGYPLRPHVVWFGEAV-PA-YEEAIRLVQSADIFIVIGSTLSVYPVAALVHEIPHYSKAYYIAPQADHSRVPPQYKLLNMTATEGMHELFNQLTS 2B4Y Chain:A ((22-233)) ---IVIISGAGVSAESGV-------GYWRKWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPALSGKGAPEPGTQDASIPVEKLPRCEEAGC--GGLLRPHVVWFGENLDPAILEEVDRELAHCDLCLVVGTSSVVYPAAMFAPQV------------------------------------------

General information: TITO was launched using: RESULT: Template: 2B4Y.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 : 791 -3794 -4.80 -21.31 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -4.80 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_2B4Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B4Y-query.scw PDB file : Tito_Scwrl_2B4Y.pdb: