Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAA-RRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDI-DGERLAYFRLLDEFF 4FEX Chain:E ((24-272)) -------------------LYGYRWARDNVGQSGATIYRLYGKPNAPELFLKHGKGSVANDVTDEMVRLNWL-TAFMPLPTIKHFIRTPDDAWLLTTAIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDFSLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCL-GEFSPSLQKRLFQKYGIDNPDMNKLQFHLMLDEFF

General information: TITO was launched using: RESULT: Template: 4FEX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1155 -20318 -17.59 -82.26 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain E : 0.76 3D Compatibility (PKB) : -17.59 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_4FEX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4fex-query.scw PDB file : Tito_Scwrl_4FEX.pdb: