Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGLTQDFFPPTSELLEGGNQTSTFEFLLWGLSDQPQQQHIFFLLFLWMYVVTVAGNLLIVLAIGTDTHLHTPMYFFLASLSCADIFSTSTTVPKALVNIQTQSRSISYAGCLAQLYFFLTFGDMDIFLPATMAYDRYVAICHLLHYMMIMSLHRCAFLVTACWTLTSLLAMTRTFLIFRLSLCSAILPGFFCDLGPLMKVSCSDAQV-N-ELVLLFLGGAVILIPFMLILVSYIRIVSAILRAPSAQGRRKAFSTCDSHLVVVALFFGTVIRAYLCPSSSSSNSVKEDTAAAVMYTVVTPLLNPFIYSMRNKDMKAAVVRLLKGRVSFSQGQ |
3EML Chain:A ((23-221)) | ---------------------------------------VYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITIST--GFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQ------SQGCGEGQ---VACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYD |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EML.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -171730 for 1319 contacts (-130.2/contact) +
2D Compatibility (PS) -19264 + (NN) -2743 + (LL) 2840
1D Compatibility (HY) -16800 + (ID) 2550
Total energy: -210247.0 ( -159.40 by residue)
QMean score : 0.197
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