Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKILVTGGAGYIGSHTCVELLEAGHEVIVFDNLSNSSKESLNRVQEITHKSLTFVEGDIRNSGELDQVFQEHAIDAVIHFAGLKAVGESQEKPLIYFDNNIAGSIQLVKSMEKAGVYTLVFSSSATVYDEANTSPLNEEMPTGMPSNNYGYTKLIVEQLLQKLSVADSKWSIALLRYFNPVGAHKSGRIGEDPQGIPNNLMPYVTQVAVGRREKLSIYGNDYDTIDGTGVRDYIHVVDLANAHLCALNNRLQAQGCRAWNIGTGNGSSVLQVKNTFEQVNGVPVAFEFAPRRAGDVATSFADNARAVAELGWKPQYGLEDMLKDSWNWQKQNPNGYN 1KVT Chain:A ((2-336)) --RVLVTGGSGYIGSHTCVQLLQNGHDVIILDNLCNSKRSVLPVIERLGGKHPTFVEGDIRNEALMTEILHDHAIDTVIHFAGLKAVGESVQKPLEYYDNNVNGTLRLISAMRAANVKNFIFSSVATVYGDNPKIPYVESFPTGTPQSPYGKSKLMVEQILTDLQKAQPDWSIALLRYFNPVGAHPSGDMGEDPQGIPNNLMPYIAQVAVGRRDSLAIFGNDYPTEDGTGVRDYIHVMDLADGHVVAMEKLANKPGVHIYNLGAGVGNSVLDVVNAFSKACGKPVNYHFAPRREGDLPAYWADASKADRELNWRVTRTLDEMAQDTWHWQSRHPQGY-

General information: TITO was launched using: RESULT: Template: 1KVT.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 : 2032 -156855 -77.19 -468.22 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -77.19 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_1KVT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KVT-query.scw PDB file : Tito_Scwrl_1KVT.pdb: