Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKRKDLFGDKQTQYTIRKLSVGVASVATGVCIFLHSPQVFAEEVSVSPATTAIAKSNINQVDNRQSTNLKDDINSNSETVVTPSDMPDTKQLVSDETDTQKGVTEPDKATSLLEENKGPVSDKNTLDLKVAPSTLQNTPDKTSQAIGAPSPTLKVANQAPQIENGYFRLHLKELPQGHPVESTGLWIWGDVDQPSSNWPNGAIPMTNAKKDDYGYYVDFKLSEKQRKQISFLINNKAGTNLSGDHHIPLLRPEMNQVWIDEKYGIHTYQPLKEGYVRINYLSSSGNYDHLSAWLFKDVATPSTTWPDGSNFVNQGLYGRYIDVPLKTNAKEIGFLILDESKTGDAVKVQPNDYVFRDLANHNQIFVKDKDPKVYNNPYYIDQVQLKDAQQTDLTSIQASFTTLDGVDKTEILKELKVTDKNQNAIQISDITLDTSKSLLIIKGDFNPKQGHFNISYNGNNVTTRQSWEFKDQLYAYSGN-LGAVLNQDGSKVEASLWSPSADSVTMIIYDKDNQNRVVATTPLVKNNKGVWQTILDTKLGIKNYTGYYYLYEIKRGKDKVKILDPYAKSLAEWDSNTVNDDIKTAKAAFVNPSQLGPQNLSFAKIANFKGRQDAVIYEAHVRDFTSDQSLDGKLKNQFVTFAAFSEK-----------LDYLQKLGVTHIQLLPVLSYFYVNEMDKSRSTAYTSSDNNYNWGYDPQSYFALSGMYSEKPKDPSARIAELKQLIHDIHKRGMGVILDVVYNHT--AKTYLFEDIEPNYYHFMNEDGSPRESFG-GGRLGTTHAMSRRVLVDSIKYLTSEFKVDGFRFDMMGDHDAAAIELAYKEAKAINPNMIMIGEGWRTFQGDQGKPVKPADQDWM---KSTDTVGVFSDDIRNSLKSGFPNEGTPAFITGGPQSLQGIFKNIKAQPGNFEADSPGDVVQYIAAHDNLTLHDVIAKSINKDPKVAEEEIHRRLR--LGNVMILTSQGTAFIHSGQEYGRTKRLLNPDYMTKVSDDKLPNKATLIEAVKEYPYFIHDSYDSSDAINHFDWAAATDNNKHPISTKTQAYTAGLITLRRSTDAFRKLSKAEIDREVSLITEVGQGDIKEKDLVIAYQTIDSK-----GDIYAVFVNADSKARNVLLGEKYKHLLKGQVIVDADQAGIKPISTPRGVHFEKDSLLIDPLTAIVIKVGKVAPSPKEELQADYPKTQSFKGSKTVEKVNRIANKTSITPVVSNKTDSYLTNEANLPKTGDKSSKILSVVGISILASLLALLGLSLKRNRHLK |
| 3WDH Chain:A ((101-685)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DDLYAYDGNDLGA--TYDPEKTTFKVWAPTATDVLLKLIHPTTKEE--TTYVMTREKKGLWTYTVYDDVERFLYTYMTYVNFIWR-----EAVDPYAKSVSV--NGTYGVVVDLAKTNIPKPS-----------MSLFISMTDAIIYEMHIRDFTIHHESGVRQKGKYV---GLTERGTTGPNGTLTGLSYIKQLGVTHVQLMPVQDFEGVDELQPLKM---------YNWGYNTVHYNAPEGSYATDPDDPYARIIELKRAIRAFQQEGIRVILDVVYNHVYVRETSSFEHLVPGYYFRYERNGYPSNGTGVGNDLASERKMVKKFIIDSVTYWLKEYGVDGFRFDLMGILDIDTMNDVRRAIDEIDPTVIILGEGW-----DLATPLPSEKKTTIANAKHTPRIAYFNDRFRDYVKGSTFDIHERGFALGDCSYKEAVIGAIRGSIHLFF--SPRQSVNYVECHDNHTLWDKMAVA-----NAHESEYIRRKRQKLATAIVLLSQGIPFLHSGQEFYRTKK------------------------------GVENSYNSPDEVNQVDW-----NEKSRWEEDVRE-IMKLIELRKKHGAFRFLTADQVRRHMKF--------YDTHPSVIAYQLVDVGVYGPWKQIVVVYHNEEKKAMLPLADGKWKVMFSSELGNVCEQFIEINGIGAWVLIQC-------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WDH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -105158 for 4830 contacts (-21.8/contact) +
2D Compatibility (PS) -60259 + (NN) -29208 + (LL) 34192
1D Compatibility (HY) -41200 + (ID) 9950
Total energy: -211583.0 ( -43.81 by residue)
QMean score : 0.416
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