Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | AMCRVCGDKASGFHYGVHACEGCKGFFRRTIRMKLEYERCERACKVQKKSRNKCQYCRFQKCLALGMSHDAIRYGRMPEAEKKKLVAGLLAGENPQSSSGTDLKTLAKHVNTAYLRNLNMTKKRARSILTGKTSCTAPFVIHDMDSLWQAENGLVWNQLNGAPLNKEIGVHVFYRCQCTTVETVRELTEFAKNIPGFVDLFLNDQVTLLKYGVHEAIFAMLPSLMNKDGLLVANGKGFVTREFLRSLRKPFSEIMEPKFEFAVKFNALELDDSDLALFVAAIILCGDRPGLMNVKQVEQIQDGILQALDQHLQVHHPDSSHLFPKLLQKMADLRQLVTENAQLVQMIKKTESETSLHPLLQEIYRDLY |
3AN4 Chain:A ((15-286)) | ---------------------------------------------------------------------------------------------NPESA---DLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIK---------SKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AN4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -161342 for 2017 contacts (-80.0/contact) +
2D Compatibility (PS) -28595 + (NN) -17963 + (LL) 6976
1D Compatibility (HY) -35600 + (ID) 8550
Total energy: -245074.0 ( -121.50 by residue)
QMean score : 0.626
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