Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTVHAKGNVLNKIGIPSHMVWGYIGVVIFMVGDGLEQGWLSPFLVDHGLSMQQSASLFTMYGIAVTISAWLSGTFVQTWGPRKTMTVGLLAFILGSAAFIGWAIPHMYYPALLGSYALRGLGYPLFAYSFLVWVSYSTSQNILGKAVGWFWFMFTCGLNVLGPFYSSYAV--PAFGEINTLWSALLFVAAGGILALFFNKDKFTPI----QKQDQ---------------PK-----------WKELSKAFTIMFENPKVGIGGVVKTI----NAI-GQFGFAIFLPTYLARYGYSVSEWLQIWGTLFFVNIVFNIIFGAVGDKLGWRNTVMWFGGVGCGIFTLALYYTPQ--LIG-H-QYWVLMIIACCYGAALAGYVPL-SALLPTLAP-DNKGAAMSVLNLGSGLCAFIAPGIVSLFIGPLGAGGVIWIFAALYFFSAFLTRFLTISEQSTDVYTEERFVRENVQTNFDKTVKQ 4PYP Chain:A ((63-444)) ----------------------------------------------------TLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGF-SKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGI-LIAQVFGLDSIMGNKDLWPLLLSIIFIPALLQCI-VLPFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQ--QPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLI-GLAGMAGCAILMTIALALLEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGP-YVFIIFTVLLVLF-------------------------------------

General information: TITO was launched using: RESULT: Template: 4PYP.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 : 1347 -184146 -136.71 -543.20 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -136.71 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.230

(partial model without unconserved sides chains): PDB file : Tito_4PYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PYP-query.scw PDB file : Tito_Scwrl_4PYP.pdb: