Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKRKDLFGDKQTQYTIRKLSVGVASVATGVCIFLHSPQVFAEEVSVSPATTAIAKSNINQVDNRQSTNLKDDINSNSETVVTPSDMPDTKQLVSDETDTQKGVTEPDKATSLLEENKGPVSDKNTLDLKVAPSTLQNTPDKTSQAIGAPSPTLKVANQAPQIENGYFRLHLKELPQGHPVESTGLWIWGDVDQPSSNWPNGAIPMTNAKKDDYGYYVDFKLSEKQRKQISFLINNKAGTNLSGDHHIPLLRPEMNQVWIDEKYGIHTYQPLKEGYVRINYLSSSGNYDHLSAWLFKDVATPSTTWPDGSNFVNQGLYGRYIDVPLKTNAKEIGFLILDESKTGDAVKVQPNDYVFRDLANHNQIFVKDKDPKVYNNPYYIDQVQLKDAQQTDLTSIQASFTTLDGVDKTEILKELKVTDKNQNAIQISDITLDTSKSLLIIKGDFNPKQGHFNISYNGNNVTTRQSWEFKDQLYAYSG-NLGAVLNQDGSKVEASLWSPSADSVTMIIYDKDNQNRVVATTPLVKNNKGVWQTILDTKLGIKNYTGYYYLYEIKRGKDKVKILDPYAKSLAEWDSNTVNDDIKTAKAAFVNPSQLGPQNLSFAKIANFKGRQDAVIYEAHVRDFTSDQSLDGKLKNQFVTFAA-----------FSEKLDYLQKLGVTHIQLLPVLSYFYVNEMDKSRSTAYTSSDNNYNWGYDPQSYFALSGMYSEKPKDPSARIAELKQLIHDIHKRGMGVILDVVYNHTAKTY--LFEDIEPNYYHFMNEDGSPRESFG-GGRLGTTHAMSRRVLVDSIKYLTSEFKVDGFRFDMMGDHDAAAIELAYKEAKAINPNMIMIGEGWRTFQGDQGKPVKPADQDWMKSTDTVGVFSDDIRNSLKSGFPNEGTPAFITGGPQSLQGIFKNIKAQPGNFEADSPGDVVQYIAAHDNLTLHDVIAKSINKDPKVAEEEIHRRLRLGNVMILTSQGTAFIHSGQEYGRTKRLLNPDYMTKVSDDKLPNKATLIEAVKEYPYFIHDSYDSSDAINHFDWAAATDNNKHPISTKTQAYTAGLITLRRSTDAFRKLSKAEIDREVSLITEVGQGDIKEKDLVIAYQTIDSK----GDIYAVFVNADSKARNVLLGEKYKHLLKGQVIVDADQAGIKPISTPRGVHFEKDSLLIDPLTAIVIKVGKVAPSPKEELQADYPKTQSFKGSKTVEKVNRIANKTSITPVVSNKTDSYLTNEANLPKTGDKSSKILSVVGISILASLLALLGLSLKRNRHLK |
| 3WDH Chain:A ((93-709)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AVMRTKAFDDLYAYDGNDLGATYDPE--KTTFKVWAPTATDVLLKLIHPTTKE--ETTYVMTREKKGLWTYTVYD-----DVERFLYTYMTYVNFIWREAVDPYAKSVSVNGT----------YGVVVDLAKTNIPKP---SMSLFISMTDAIIYEMHIRDFTIHHESGVRQK---GKYVGLTERGTTGPNGTLTGLSYIKQLGVTHVQLMPVQDFEGVDELQP---------LKMYNWGYNTVHYNAPEGSYATDPDDPYARIIELKRAIRAFQQEGIRVILDVVYNHVYVRETSSFEHLVPGYYFRYERNGYPSNGTGVGNDLASERKMVKKFIIDSVTYWLKEYGVDGFRFDLMGILDIDTMNDVRRAIDEIDPTVIILGEGWDLATPLPS--EKKTTIANAKHTPRIAYFNDRFRDYVKGSTFDIHERGFALGDCSYKEAVIGAIRGSIHLF--FSPRQSVNYVECHDNHTLWDKMAVANAHE---SEYIRRKRQKLATAIVLLSQGIPFLHSGQEFYRTKKGV------------------------------ENSYNSPDEVNQVDWNEKS------RWEEDVREIMKLIELRKKHGAFRFLTADQVRRHMKFYDT--------HPSVIAYQLVDVGVYGPWKQIVVVYHNEEKKAMLPLA-----DGKWKVMFSSE---L--------GNVCEQFIEINGIGAWVLIQC--------------------------------------------------------------------------------------------- |
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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) -196083 for 5287 contacts (-37.1/contact) +
2D Compatibility (PS) -64878 + (NN) -32423 + (LL) 32176
1D Compatibility (HY) -34800 + (ID) 9050
Total energy: -305058.0 ( -57.70 by residue)
QMean score : 0.476
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