Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHIELKNKIVFVTGVAGFIGSNLTKRLFADIEGVKVVGIDNMNDYYDVRLKEARLEE-LFKFENFVFVKGNLADKAVITAIFEEHHPNIVVNLGAQAGVRYSIINPDAYIEGNMIGFYNILEACRHYPVEHLVYASSSSVYGSNKKIPYSTDDKVDNPVSLYAATKKSNELMTHAYSKLYNIPSTGLRFFTVYGPAGRPDM----AYFGFTNKLLKGETIQIFNYGNCKRDFTYIDDIVEGVIRIMQGAPEKQTGEDGLPVPPYAVYNIGNHNPENLLDFVQILLEELIRAGVLPEDYDFEAHKELVPMQPGDVPVTYADTEALERDYGFKPATPLRTGLRKFAEWYKEFYMSETV 3RUF Chain:S ((21-350)) ---LIFSPKTWLITGVAGFIGSNLLEKLLK--LNQVVIGLDNFSTGHQYNLDEVKTLVSTEQWSRFCFIEGDIRDLTTCEQVMK--GVDHVLHQAALGSVPRSIVDPITTNATNITGFLNILHAAKNAQVQSFTYAASSSTYGDHPALPKVE-ENIGNPLSPYAVTKYVNEIYAQVYARTYGFKTIGLRYFNVFGRRQDPNGAYAAVIPKWTAAMLKGDDVYINGDGETSRDFCYIDNVIQMNILSALAKD----------SAKDNIYNVAVGDRTTLNELSGYIYDELNLIHHI----------KYREFRSGDVRHSQADVTKAIDLLKYRPNIKIREGLRLSMPWYVRFLK----

General information: TITO was launched using: RESULT: Template: 3RUF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 1841 -17934 -9.74 -56.04 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain S : 0.74 3D Compatibility (PKB) : -9.74 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_3RUF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RUF-query.scw PDB file : Tito_Scwrl_3RUF.pdb: