Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHIELKNKIVFVTGVAGFIGSNLTKRLFADIEGVKVVGIDNMNDYYDVRLKEARLEE-LFKFENFVFVKGNLADKAVITAIFEEHHPNIVVNLGAQAGVRYSIINPDAYIEGNMIGFYNILEACRHYPVEHLVYASSSSVYGSNKKIPYSTDDKVDNPVSLYAATKKSNELMTHAYSKLYNIPSTGLRFFTVYGPAGRPDM----AYFGFTNKLLKGETIQIFNYGNCKRDFTYIDDIVEGVIRIMQGAPEKQTGEDGLPVPPYAVYNIGNHNPENLLDFVQILLEELIRAGVLPEDYDFEAHKELVPMQPGDVPVTYADTEALERDYGFKPATPLRTGLRKFAEWYKEFYMSETV 1SB8 Chain:A ((23-351)) ---LPAQPKVWLITGVAGFIGSNLLETLLK--LDQKVVGLDNFATGHQRNLDEVRSLVSEKQWSNFKFIQGDIRNLDDCNNACA--GVDYVLHQAALGSVPRSINDPITSNATNIDGFLNMLIAARDAKVQSFTYAASSSTYGDHPGLPKV-EDTIGKPLSPYAVTKYVNELYADVFSRCYGFSTIGLRYFNVFGRRQDPNGAYAAVIPKWTSSMIQGDDVYINGDGETSRDFCYIENTVQANLLAATAGL----------DARNQVYNIAVGGRTSLNQLFFALRDGLAENGV---SYHRE-P-VYRDFREGDVRHSLADISKAAKLLGYAPKYDVSAGVALAMPWYIMFL-----

General information: TITO was launched using: RESULT: Template: 1SB8.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 : 1966 -32365 -16.46 -99.89 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -16.46 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_1SB8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SB8-query.scw PDB file : Tito_Scwrl_1SB8.pdb: