Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNYSSRQQPDKHWLRKVDWVLVATIAVLAIFSVLLINSAMGGGQYSANFGIRQIFYYILGAIFAGIIMFISPKKIKHYTYLLYFLICLLLIGLLVIPESPITPIINGAKSWYTFGPISIQP-SEFMKIILILALARVVSRHNQFTFNKSFQSDLLLFFKIIGVSLVPSILILLQNDL-GTTLVLAAIIAGVMLVSGITWRILAPIFITGIVGAMTVILGILYAPALIENLLGVQLYQMGRINSWLDPYTYSSGDGYHLTESLKAIGSGQLLGKGYNHGEVYIPENHTDFIFSVIGEELGFIGSVILILIFLFLIFHLIRLAAKIEDQFNKIFIVGF-VTLLVFHILQNIGMTIQLLPITGIPLPFISYGGSALWSMMTGIGIVLSIYYHEPKRYVDLYHPKSN |
1N1B Chain:A ((222-549)) | ----MNPLIFELAKLNFNIIQATHQQELKDLSRWWSRLCFPEKLPFVRDRLVESFFWAVGMFE-------PHQHGYQRKMAATIIVLATVIDDIYDVYGTLDELELFTDTFKRWDTESITRLPYYMQLCYWGVHNYISDAAYDILKEHG--FFCLQYLRKSVVDLVEAYFHEAKWYHSGYTPSLDEYLNIAKISVASPAIISPTYFTFANASHDTAVIDSLYQY---------------------HDILCLAGIILRLPDDLGD---------VPKTIQCYMKETNAS---------------------EEEAVEHVKFLIREAWKDMNTAIAAGYPFPDGMVAGAANIGRVAQFIYLHGDGFSKTYEHIAGLL-----------------------FEPYA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1N1B.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -295631 for 2487 contacts (-118.9/contact) +
2D Compatibility (PS) -32858 + (NN) -14205 + (LL) 7432
1D Compatibility (HY) -3600 + (ID) 1800
Total energy: -340662.0 ( -136.98 by residue)
QMean score : 0.270
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