Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQKIIEDSLELAKKLQDSISNHLSEQEKAFHFKMQKLLNNPENKVMLIELMDRSFRCLDNKARFEMIEHVLDKYKSREIFSSFEKWLLMGFLSFGKMLPDMSVPFFVNKIRSDTKAMVLDQEESQLRERILKRKNEKIILNVNFIGEEVLGEEEASARFEKYSQALKSNYIQYISIKITTIFSQINILDFEYSKKEIVKRLDALYALALEEEKKQGMPKFINLDMEEFRDLELTVESFMESIAKFDLNAGIVLQAYIPDSYEYLKKLHAFSKERVLKGLKPIKIRFVKGANMESEETIASMKDWALPTFSSKQDTDSNYNKMLDFVLEGDNYKYIHIGAASHNIFEIAYVYTRIHALNDPVVLEHFSFEMLEGMSLQASQELKEMHKLILYAPVCDEAHFNNAIAYLVRRLDENTSSDNFMKAFFNLKVGTSEWKDQEQRFLNSLKGIATLDNTTHRTQDRNAKQTGHTTYPNHSFKNESDTDFILKANREWAKKVRDKMHNAPILELYPEIDGRFEDPNLTPLEVFDRIHHKKIASVHLADKEAILKALEVAKSDKSRFSQKSFTEIHALLSQTAQLFRERRGDLIGISALEVGKTFAETDAEVSEAIDFLEFY---------------PYSLRVLQEQNKKTKFTPKGVGVVIAPWNFPVGISVGTIAAPLAAGNRVIYKPSSLSSVTGYKLCECFWDAGVPRDALIYLPSKGSDISEHLLKDESIKFAILTGGEDTAYKMLKANPTLALS--------AETGGKNATIVSKMADRDQAIKNVIHSAFSNSGQKCSATSLLVLEKEVYEDENFKKTLIDATLSLSVGDPFDFKNKIGALADKPNE-KVIKAIDELKSYENYEIPASFVDDNPYLMKPSIKYGTKKGDFTHQTELFTPILSVMKAKDLDEAIEIVNSTGYGLTSALESLDEREWEYYLERIEAGNIYINKPTTGAIVLRQPFGGVKKSAVGFGRKVGIFNYITQFVNIHQEEEDENALKNPLSEALEGLTQKGYDEHTHELKRAIFMAKSYAYHYKHEFSQAKDYVKIRGEDNLFSYTKVTSVGYRITEKDTLSDMLGVALACLISQIPLTISIENERANKDLTFFLECLKALQANAPIVYESLQKFSEKLNAFNRVRYLKSDLDLLHEQASRLGMVLATAKPCLNGRFELLYYHLERSVSISYHRYGNLGSRVLRQPTCHKSCCAEK |
2BHQ Chain:A ((101-509)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LLLKAAALMRRRKRELEATLVYEVGKNWVEASADVAEAIDFIEYYARAALRYRYPAVEVVPYP-----GEDNESFYVPLGAGVVIAPWNFPVAIFTGMIVGPVAVGNTVIAKPAEDAVVVGAKVFEIFHEAGFPPGVVNFLPGVGEEVGAYLVEHPRIRFINFTGSLEVGLKIYEAAGRLAPGQTWFKRAYVETGGKDAIIVDETADFDLAAEGVVVSAYGFQGQKCSAASRLILTQGAYEP--VLERVLKRAERLSVG-PAEENPDLGPVVSAEQERKVLSYIEIGKNEGQLVLGGKRLEGEGYFIAPTVFTEVPPKARIAQEEIFGPVLSVIRVKDFAEALEVANDTPYGLTGGVYSRKREHLEWARREFHVGNLYFNRKITGALVGVQPFGGFKLS--GTNAKTGALDYLRLFLEMKAVAERF--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BHQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -134114 for 3459 contacts (-38.8/contact) +
2D Compatibility (PS) -41148 + (NN) -12123 + (LL) 61736
1D Compatibility (HY) -28000 + (ID) 7300
Total energy: -160949.0 ( -46.53 by residue)
QMean score : 0.433
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