Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MAQQSRSRSNNNNDLLIPQAASAIEQMKLEIASEFGVQLGAETTSRANGSVGGEITKRLVRLAQQNMGGQFH----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 2VLA Chain:A ((1-280)) MNYNPEEQFRCTIIRGKAKNMLDNLLPAYANIIDDICPCDKASFVKDFNNRLIEIL----GEETTKKTLDNHRTEIAGKLFGMFYEDDEVIFPSGRTNKYIEDSDQPAFFKDICFKFQFPNGMDKLDKVIEKVGAKIQIRQFPYILQVLLTADNNNIQLSKDDIAYYVLNSLQVLQGKIKPIEVIEKIIEDRSNDITKKVRHPGKETSYSMQHIREQLNYLELANLIRIDGNLVKLNYREAENINYIAQFWGNKPEFNAYKYDFTSEDDKKSFFKDWQQYYSNV

General information: TITO was launched using: RESULT: Template: 2VLA.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 : 115 1101 9.57 16.18 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 9.57 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.234

(partial model without unconserved sides chains): PDB file : Tito_2VLA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VLA-query.scw PDB file : Tito_Scwrl_2VLA.pdb: