Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALVRPFPIVQVVGFQNSGKTTFIERILEKASEQGVHLGCLKHHGHGGEPQTLTEGKDTDRYKAAGADVTAVEGAGVLQLTARRN----WDLARLIELYQFLETDCLLIEGFKKAPYPKVVILSE---KEDLEALQAVNIIAIIYRKKEHMTEHQGLPVFHADDPVAV-DFVLSQLKGESA 1NP6 Chain:A ((5-174)) -----MIPLLAFAAWSGTGKTTLLKKLIPALCARGIRPGLIKHTHH--------------ELRKAGAAQTIVASQQRWALMTETPDEEELDLQFLASRMDTSKLDLILVEGFKHEEIAKIVLFRDGAGHRPEELVIDRHVIAVASDVPLN----LDVALLDINDVEGLADFVVEWMQKQNG

General information: TITO was launched using: RESULT: Template: 1NP6.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 : 546 -115331 -211.23 -768.87 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -211.23 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_1NP6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NP6-query.scw PDB file : Tito_Scwrl_1NP6.pdb: