Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLHRRFSVQKASLSADMVDTQTFGWPVGFGLSALELEELEDDTHSLDIKPFSTLDYSSISGIDYENNPTQNDPTPHMMDLTHMYSYRTQENYRTHEPIYRPEHSSYSPEENTYRAQQIQNSIKLEPESPPQFAENSVSFSKTPEDPSSSSLNIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLVYDHCDLHCRIHKKSRNKCQYCRFQKCLMVGMSHNAIRFGRMPQAEKEKLLAEFSSDVNHMHPESADLRALARHLYESYLKYFPLTKAKARAILSGKTSDNAPFVIHDMKSLVEGEQMINCRYM-PLHEHRRSDLGIMHEVELRFFHSYQSRSAEAISEVTEFAKSIPGFINLDLNDQVTLLKYGVIEVMIIMISPLMNKDGTLISYGQIFMTREFLKSLRKPFCEMMEPKFEFSIKFNMLELDDCDMALFLAVIILSGDRPGLLDVKPIEDLQETVLHSLELQLKINHPDSLQLFAKVLQKMTDLRQLVTDHVQLIQMMKETEADWSLHPLLQEIMRDLY 4XUM Chain:B ((8-278)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ESADLRALAKHLYDSYIKSFPLTKAKARAILTG-----SPFVIYDMNSLMMGEDKIKFKHITP-------------EVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY

General information: TITO was launched using: RESULT: Template: 4XUM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1101 -84781 -77.00 -327.34 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -77.00 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.289

(partial model without unconserved sides chains): PDB file : Tito_4XUM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4xum-query.scw PDB file : Tito_Scwrl_4XUM.pdb: