Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSERWWQDSSVTAELFQRPKSFEFIQATRLLRHMPANDAALSWCDHFKFETSFNLNFPATEIESLELVDERVHLTNLIVGLTGIQGTLPYTYTNKIKQAPRQQRAETKEFLSLFNHKLTSQYVESSITYHLPVRYEIENKNDYLDILHALNGYVRSQHQQQDLDEYFAEFSGLMQGQNNTVHALKTMLSCIFKHEITIKEFVQESFKLAGDQLTTLGGSQPSLLGINTFCGETIQQIDGKIEIQIGPLKHQQYLRFLPHQELSLKLKKIVETWCSPTLSIDLRLILDESEIQPVRLTQGQEGGLGQGAFLMSRKPNTHNDETCYSLIGEQI 5AJ3 Chain:C ((140-155)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ETLLSHFYKCPVHLHL-----------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5AJ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 15 -1723 -114.83 -107.66 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain C : 0.54 3D Compatibility (PKB) : -114.83 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.162

(partial model without unconserved sides chains): PDB file : Tito_5AJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AJ3-query.scw PDB file : Tito_Scwrl_5AJ3.pdb: