Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATEIKAPVFPESVADGTIATWHKKVGEPASRDEVICDIETDKVVLEVVAPADGSLVAIIKGEGDTVLSDEVIAQFEAGAGAAAAAPAAVEQAVAQTQAGAAPVVERNETVSDQAPAVRKALTESGIAASDVQGTGRGGRITKEDVANHQAKPAANVTPLSVAVGERIEKRVPMTRLRKRVAERLLAATQETAMLTTFNEVNMKPIMELRKQYKDAFEKRHGARLGFMSFFVKAATEALKRYPAVNASIDGDDIVYHGYYDIGVAVSSDRGLVVPVLRDTDRMSYAEVEAGIAAYAAKARDGKLSIEEMTGGTFTITNGGTFGSLLSTPILNQPQTGILGMHKIQERPMAVNGQVEILPMMYLALSYDHRMIDGKEAVGFLVAIKELLEEPAKLILDL 3MAE Chain:B ((14-246)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------SAAGDKEIPINGVRKAIAKHMSVSKQEIPHAWMMVEVDATGLVRYRNAVKDSFKKEEGYSLTYFAFFIKAVAQALKEFPQLNSTWAGDKIIEHANINISIAIAAGDLLYVPVIKNADEKSIKGIAREISELAGKARNGKLSQADMEGGTFTVNSTGSFGSVQSMGIINHPQAAILQVESIVKRPVIIDDMIAVRDMVNLCLSIDHRILDGLLAGKFLQAIKANVEKISKENTA-

General information: TITO was launched using: RESULT: Template: 3MAE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1068 -135338 -126.72 -580.85 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -126.72 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_3MAE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MAE-query.scw PDB file : Tito_Scwrl_3MAE.pdb: