Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPQPTSQQRASVASSQSTQGAVGWSAATGWVVLFVAVALVVWFVSLDMRHLVGPDEGRYAEISREMFASGDWVTIRYNALKYFEKPPFHMWVTVVGYELFGLGEWQARLAVALSGLLGIGVSMMAARRWFGARAAAFTGLALLAAPMWSVAAHFNTLDMTLAGVMSCVLAFMLMGQHPDASVAARRGWMVACWAAMGVAILTKGLVGIALPGLVLVVYTLVTRDWGLWRRLHLALGVVVMLVITVPWFYLVSVRNPEFPNFFFIHEHWQRYTSNIHSRSGSVFYFLPLVIGGFLPWAGIFPKLWTAMRAPVEGTQARFRPALMAGIWAIAIFVFFSISRSKLPGYIVPVIPALGILAGVALDRLSPRSWGKQLIGMAIVAACG--LLASPVVATLNANHIPNSFYRAYAVWVAVAFVVMLLGIAVA-RLLLRRGVLPSVAVYAMGMYLGFTV---ALLGHETVGRP--ASGADIAPQIAQKLTPEMPLYGVQMLDHTLPFYLRHPLMMVGQADELTFGATVEPQRVVPDVDSFTKLWKNGQPAMAVMSPDTYLALAPTLSMYVVARDWRRVVVANVASLAGPQ |
3C8U Chain:A ((3-123)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LAALCQGVLERLDPRQPGRQLVALSGAPGSGKSTLSNPLAAALSAQGLP-------------AEVVPMDGFHLDNRLLEPRGLLPRKGAPETFDFEGFQRLCHALKHQERVIYPLFDRARDIAIAGAAEVGPEC------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C8U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -55158 for 613 contacts (-90.0/contact) +
2D Compatibility (PS) -11532 + (NN) 1378 + (LL) 38592
1D Compatibility (HY) 3600 + (ID) 1200
Total energy: -24320.0 ( -39.67 by residue)
QMean score : 0.023
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