Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIQISRDMSSLGQTATTQALPDNSDGIQLTKFAADDILPLEYAPPIGPELVSQDQLPAAWAYKRFRDLDDKESYRRKLLQELTDALAAQGSEAAEIATAALRDLIDQMAEQGAVVLADIVESDDFLELVKRYDELMAREGS----RSFIH------RFL-D-LRRSPGMLTDPAVNGALVHPLMIALISYAVGGPIRMIDARGKDAEPLSVLAQDNMLHIDNTPFND--EYKILITWRRGTAQGPAGQNFTFLPGTHKLARTCFVNEDGVPWSSENASIFTTPDSIRKVFDAQRQLGGQDHPTVIEVTDSERPLSGVFAAGSLVHHRFRTASGSARSCIILVFHRVADNPGRMVSDVEDSSDVSLSELLTRGVPDESYQQRFIATLCAAADEIAELLLKWKKTPQRPVSLPLQTKQIDGARFEEWISAATKAPEVREIRNRELTIPYGEVLSAEEFFDLIWRLMRFDKHGPLDLILYHDNREEPRKWARNLIREMSADRLYERLLGWLADIQQPRPADCLRPLQIHALISEVLKTLPLDEDQDPPADWHFDLLGMSHAEAARSVKHLLEDVAEALLRCEDMAAYLSTSLFAFWAVDAAYSLDGRRNLVVKDCARRLLRHYTMLSLTCFQ |
2A1X Chain:A ((26-216)) | ------------------------------------------------------------------------------------------------------EQRKFYEENGFLVIKNLVPDADIQRFRNEFEKICRKEVKPLGLTVMRDVTISKS---EKMITKVQDFQEDKELFRYCTLPEILKYVECFTGPNIMAMHTMLINKPPD-------PLHQDLHYFPFRPSDLIVCAWTAMEHISRNNGCLVVLPGTHKGSLK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2A1X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -33662 for 773 contacts (-43.5/contact) +
2D Compatibility (PS) -14374 + (NN) -8203 + (LL) 35276
1D Compatibility (HY) -6800 + (ID) 1150
Total energy: -28913.0 ( -37.40 by residue)
QMean score : 0.112
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