Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQTITLYVDGACRGNPGLGGWGAYVITEQGEHKLFGGEPDTTNNRMELTAAIEGISFCPPDAQLIVWTDSNYVKQGITEWIHGWKKKNWKDVKNPDLWQKLDAVCAGRNIEWNWIKGHAGHAGNEMADQLANLGADKTAQELKQPQSATVSQDIKKPEQDWLLDDPFGFDLVETTEDETITLEQTQEVEMIVVDEEMNVVEAVEQEEQQQNTNIHPQIVMTEAKLKLQGPRQLILDTETTGF----YFQDGDRIIEVGAIEMINRKLTGSSIHIYINPEKPVG-DSVQVHGITDEFLVDKPKYAEIADTLFEYLKGAEIIAHNATFDMNFLDMEFK--RVGLPALSEVCEVTDTLALAKNKHPGQKNSLDALVRRYEIPARDRTFHGALLDAEILSDVYLAMTGGQVSFDMDALSQSESDQQKTTKARVQIELPVIYPSDEELNIHETWVKEFEKKHGEPCLFAK 2XY8 Chain:A ((7-180)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RQIVLDTETTGMNQIGAHYEGHKIIEIGAVEVVNRRLTGNNFHVYLKPDRLVDPEAFGVHGIADEFLLDKPTFAEVADEFMDYIRGAELVIHNAAFDIGFMDYEFSLLKRDIPKTNTFCKVTDSLAVARKMFPGKRNSLDALCARYEIDNSKRTLHGALLDAQILAEVYLAMTG-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XY8.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 : 767 3731 4.86 22.34 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 4.86 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_2XY8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XY8-query.scw PDB file : Tito_Scwrl_2XY8.pdb: