Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWA------------DENGDLGPVYGKQWRAWPT--------PDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI 3NRR Chain:A ((232-515)) EFQYLDILADVLSHGVLKPNRTGTDAYSKFGYQMRFDLSRSFPLLTTKKVALRSIIEELLWFIKGSTNGNDLLAKNVRIWELNGRRDFLDKNGFTDREEHDLGPIYGFQWRHFGAEYLDMHADYTGKGIDQLAEIINRIKTNPNDRRLIVCSWNVSDLKKMALPPCHCFFQFYVSDNKLSCMMHQRSCDLGLGVPFNIASYSILTAMVAQVCGLGLGEFVHNLADAHIYVDHVDAVTTQIARIPHPFPRLRLNPDIRNIEDFTIDDIVVEDYVSHPPIPMAMSA

General information: TITO was launched using: RESULT: Template: 3NRR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -199561 for 2132 contacts (-93.6/contact) + 2D Compatibility (PS) -28664 + (NN) -13719 + (LL) 0 1D Compatibility (HY) -28800 + (ID) 6400 Total energy: -277144.0 ( -129.99 by residue) QMean score : 0.777

(partial model without unconserved sides chains): PDB file : Tito_3NRR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NRR-query.scw PDB file : Tito_Scwrl_3NRR.pdb: