Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDYIEKVLSGKLIAPKKIIQACERHISDLERSKSDSFPYVFDEEQATKAIKFIELLPSTDGKAIKMLGFQKFILGSLYGWRTKEGNYRRFNRAFTSMSRKNGKTYIASGMAANALIMEQEPAEARQVLFVSNALKQAKLGYDMLSNSLRNVVKSSKFLRPQLKIMNSKIQHLPSNSFAMALASETSTLDGFAPTTAILDEWHEAKTRKTYNVIKSGMTQQKNGLLCVIST-AGLDLNVPMYEEYLLLDRVLKGEEQADRYFIAIWELDDPEEIHDQEKWIKANPIFESEEIKKVMIPTIQDDV-----NLALKQNNLNSVLVKNFNLWRQASEDSYMIAEDWQATEVEPQDITGKPVYIGV-----DLSKTDDLTSVSW----IVPLDNGELYCDSHSFVATKYGLQDKEKRDGLPYRELEKAGECSITQLESGIVDYDQVFQFIQDLIQENDLECMGICYDPYNANSLISKAEKANYPMLEVRQGTITLNVPTRTFREQVYEGNVIHNKNTILTHAVNNAILKTDNNGIQINKSKNSNKIDPIAALINAYVFAMDYFTTTEGAKADNEFYTSEEFSF 3WZM Chain:A ((15-278)) --------------------------------------------------------------------------------------------------MRTRSTISTPNGITWYYEQEGTGP----DVVLVPDGLGE----CQMFDSSVSQIAA----------------QGFRVTTFDMPGMSRSAK----APPET----YTEVTAQKLASYVISVLDALDIKHATVWGCASGASTVVALLLGY------------PDRIRNAMCH----ELPTKLLDHLSNTAVLEDEEISKILANVMLNDVSGGSEAWQAMGDEVHARLHKNYPVWARGYPRTIPPS----APVKDLEALRGKPLDWTVGAATPTESFFDNIVTATKAGVNIGLLPGMHFPYVSHPDVFAKYVVETTQKHL---------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WZM.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 : 1447 -32261 -22.29 -129.56 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -22.29 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.248

(partial model without unconserved sides chains): PDB file : Tito_3WZM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WZM-query.scw PDB file : Tito_Scwrl_3WZM.pdb: