Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRQVKCPYCETKLDKD----SA-------IPYKKRYYHEKCFNTWKQESDHRKELIQYICNLYGLTSPTGMMLKQIKEFQEEYGYKLKGIELALRYFYETLDNQPREGDGIGIVPFVYDEAKRHYIRQKAIRKSAEDPKNHKREEITLVIKKGMRKKRGLVDISML 2DMJ Chain:A ((25-67)) ---RASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKV-------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2DMJ.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 : 43 496 11.53 15.50 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 11.53 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_2DMJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DMJ-query.scw PDB file : Tito_Scwrl_2DMJ.pdb: