Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNINLKPEEVGVYAIGGLGEIGKNTYGIEYQDEIIIVDAGIKFPEDDLLGIDYVIPDYSYIVE-----NIDRIKALVITHGHEDHIGGIPFLLKQANLPIYAGPLALALIKGKLEEHGLLRDATLYEIHANTELTFKNLSVTFFRTTHSIPEPLSIVIHTPQGKVIC-TGDFKFDFTPVGEPADLHRMAALGEDGVLCLLSDSTNAEVP-TFTNSEKIVGQSIMKIIEGID--GRIIFASFASNIFRLQQAAEAAVKTGRKIAVFGRSMEKAIVNGIELGYIKVPKGTFIEPSELKNLHASEVLIMCTGSQGESMAALARIANGTHRQVTLQPGDTVIFSSSPIPGNTTSVNKLINTIQEAGVDVIHGKINNIHTSGHGGQQEQKLMLRLIKPKYFMPV------HGEYRMQKVHAGLAVDTGIPKENIFIMENGDVLALTSDSARIAGHFNAQDIYVDGNGIGDIGAAVLRDRHDLSEDGVVLAVATVDFDSKMILAGPDILSRGFIYMRESGDLIRESQHILFNAIRIALKNKDASIQSVNGAIVNALRPFLYEKTEREPIIIPMVLTPDK |
5AHR Chain:A ((1-343)) | ----------------------------------------------SMTCPFYKKIPGTGFTVDAFQYGVVEGCTAYFLTHFHSDHYAGLS---KHFTFPVYCSEITGNLLKNKLH----VQEQYIHPLPLDTECIVNGVKVVLLDANHC-PGAVMILFYLPNGTVILHTGDFRAD-------PSMER-SLLADQKVHMLYLDTTYCSPEYTFPSQQEVIRFAINTAFEAVTLNPHALVVCGTYSIGKEKVFLAIADVLGSKVG-----MSQEKYKTLQCLNIPEINSLITTDMCSSLVHLLPMMQI----NFKGLQSHLKKCGGKYN-------QILAFRPTVIPQTKG-----------------NISIYGIPYSEHSSYLEMKRFVQWLKPQKIIPTVNVGTWKSRSTMEKYFREWKLEAGY----------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5AHR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169550 for 2482 contacts (-68.3/contact) +
2D Compatibility (PS) -34193 + (NN) -16267 + (LL) 15440
1D Compatibility (HY) -19600 + (ID) 3250
Total energy: -227420.0 ( -91.63 by residue)
QMean score : 0.475
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