Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKILVTGGAGYIGSHTCVELLEAGHEVIVFDNLSNSSKESLNRVQEITHKSLTFVEGDIRNSGELDQVFQEHAIDAVIHFAGLKAVGESQEKPLIYFDNNIAGSIQLVKSMEKAGVYTLVFSSSATVYDEANTSPLNEEMPTGMPSNNYGYTKLIVEQLLQKLSVADSKWSIALLRYFNPVGAHKSGRIGEDPQGIPNNLMPYVTQVAVGRREKLSIYGNDYDTIDGTGVRDYIHVVDLANAHLCALNNRLQAQGCRAWNIGTGNGSSVLQVKNTFEQVNGVPVAFEFAPRRAGDVATSFADNARAVAELGWKPQYGLEDMLKDSWNWQKQNPNGYN 2UDP Chain:A ((2-336)) --RVLVTGGSGYIGSHTCVQLLQNGHDVIILDNLCNSKRSVLPVIERLGGKHPTFVEGDIRNEALMTEILHDHAIDTVIHFAGLKAVGESVQKPLEYYDNNVNGTLRLISAMRAANVKNFIFSSSATVYGDQPKIPYVESFPTGTPQSPYGKSKLMVEQILTDLQKAQPDWSIALLRYFNPVGAHPSGDMGEDPQGIPNNLMPYIAQVAVGRRDSLAIFGNDYPTEDGTGVRDYIHVMDLADGHVVAMEKLANKPGVHIYNLGAGVGNSVLDVVNAFSKACGKPVNYHFAPRREGDLPAYWADASKADRELNWRVTRTLDEMAQDTWHWQSRHPQGY-

General information: TITO was launched using: RESULT: Template: 2UDP.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 : 2066 -162118 -78.47 -483.93 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -78.47 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_2UDP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2UDP-query.scw PDB file : Tito_Scwrl_2UDP.pdb: