Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIQDMILTLQKHWSSQGCVLMQAYDVEKGAGTMSPYTFLRSIGPEPWKVAYVEPSRRPADGRYGENPN---RLYQHHQFQVIIKPSP---------DNIQELYLDSLRALGIDPLEHDIRFVEDNWENPSLGCAG---LGWEVWLDG----MEITQFTY-------------FQQVGGLECKPVSV-EITYGIERLASYIQDKENVFDLEWTSGFTVKDLFMMAEYEHSVYTFETSDVDMLFQLFSTYEKEAIKQMDNGLVHPAYDYVLKCSHTFNLLDAKGAISVTERTGYIARVRNLARKVAKTYYEEREKLGFPMLKGEGSSHE 3ERR Chain:A ((352-501)) --------------------------------------------ALPLRYAGYAPAFRSEAGSFGKDVRGLMRVHQFHKVEQYVLTEASLEASDRAFQELLENAEEILRLLELP-----YRLVEVA--TGDMGPGKWRQVDIEVYLPSEGRYRETHSCSALLDWQARRANLRYRDPEG-RVRYAYTLNNTALATPRILAMLL------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ERR.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 : 344 7350 21.36 62.82 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 21.36 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_3ERR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ERR-query.scw PDB file : Tito_Scwrl_3ERR.pdb: