Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFVPQIKIPATYMRGGTSKGVFFKLDDLPEKAQVAGQARDQLLLRVIGSPDPYGKQIDGMGGATSSTSKTVILAKSTQPDHDVDYLFGQVSIDQAFVDWSGNCGNLTAAVGSFAISNGLVDADRIPENGLCTVRIWQKNIQKTIIAHVPITNGQVQETGDFELDGVTFPAAEVQIEFLDPADDGEEGGDMFPTGNVVDQLDVPEIGSFQATFINAGIPTIFLNAEDLGYEGTELQDHINGDAAALARFEKIRAYGAVQMGLIKDISEAAARQHTPKIAFVSKPKNYTASSGKNVSENDVDLLVRALSMGKLHHAMMGTAAVAIGTAAAIPGTLVNLAAGGGEREAVRFGHPSGTLRVGAQAELTNGQWVVKKAIMSRSARVLMEGWVRIPGDSS 1PQH Chain:A ((32-82)) --------------------------------------------------------------------------------------------VTHADLHYEGTC----------AIDQDFLDAAGI--LENEAIDIWNVTNGKRFS--------------TYAIAAERGSR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1PQH.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 : 127 -14302 -112.61 -280.43 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -112.61 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.226

(partial model without unconserved sides chains): PDB file : Tito_1PQH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PQH-query.scw PDB file : Tito_Scwrl_1PQH.pdb: