Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEVKTISVEDTYEIRHRILRPHQSIEQCKYKEDHAEGSFHLGVFYDGTLISIASFSPQSQPLLTEASAYRLRGMATLEGYRDQKAGSTLIKHAEHKLAESGVQAVWCNA---RHHVKGYYAKLGWKELGEPFDIPG--IGNHIVMYKTLRTSR 2FIA Chain:A ((51-157)) ---------------------------------------RLYLLVHEEMIFSMATFCMEQE-----QDFVWLKRFATSPNYIAKGYGSLLFHELEKRAVWEGRRKMYAQTNHTNHRMIRFFESKGFTKIHESLQMNRLDFGSFYLYVKELE---

General information: TITO was launched using: RESULT: Template: 2FIA.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 : 379 -58011 -153.06 -568.73 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -153.06 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_2FIA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FIA-query.scw PDB file : Tito_Scwrl_2FIA.pdb: