Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDENKSKALQAALSQIEKQFGKNTVMRLGDNTVQAVEAVSTGSLTLDIALGIGGLPKGRIIEIYGPESSGKTTMTLQAIAQCQKSGGTCAFIDAEHALDPQYARKLGVDIDNLLVSQPDNGEQALEIADMLVRSGAIDLIVVDSVAALTPKAEIEGEMGDSHMGLQARLMSQALRKITGNAKRSNCMVIFINQIRMKIGVMFGSPETTTGGNALKFYASVRLDIRRIGQVKEGDEIVGSETKVKVVKNKMAPPFKEAIFQILYGKGTNQLGELVDLAVQQDIVQKAGAWYSYQGNKIGQGKNNVIRYFEENTQIAEEIERNIREQLLTTGTNGAVQIEDEEEPDLLLES 2ZRO Chain:A ((7-329)) ---DREKALELAMAQIDKNFGKGSVMRLGEEVRQPISVIPTGSISLDVALGIGGLPRGRVIEIYGPESSGKTTVALHAVANAQAAGGIAAFIDAEHALDPEYAKKLGVDTDSLLVSQPDTGEQALEIADMLVRSGALDIIVIDSVAALVPRAEIEGEMGDSHVGLQARLMSQALRKMTGALNNSGTTAIFINQLREKIG------ETTTGGKALKFYASVRLDVRRIETLKDGTDAVGNRTRVKVVKNKVSPPFKQAEFDILYGQGISREGSLIDMGVEHGFIRKSGSWFTYEGEQLGQGKENARKFLLENTDVANEIEKKIKEKL-----------------------

General information: TITO was launched using: RESULT: Template: 2ZRO.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 : 1714 -151030 -88.12 -476.43 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -88.12 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.555

(partial model without unconserved sides chains): PDB file : Tito_2ZRO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZRO-query.scw PDB file : Tito_Scwrl_2ZRO.pdb: