Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRVENVDNVSFALNGRADEWCMSVETRLDSLVREKSEVKAYVGGCPSVITDAGAYDALFDMRRRWSNNGGFPLRMLEESSSEVTSSSALGLPPAMVMSPESLASPEYRALELWSYDDGITYNTAQSLLGACNMQQQQLQPQQPHPAPPTLPTMPLPMPPTTPKSENESMSSGREELSPASSINGCSADADARRQKKGPAPRQQEELCLVCGDRASGYHYNALTCEGCKGFFRRSVTKNAVYICKFGHACEMDMYMRRKCQECRLKKCLAVGMRPECVIQEPSKNKDRQRQKKDKGILLPVSTTTVEDHMPPIMQCDPPPPEAARIHEVVPRYLSEKLMEQNRQKNIPPLSANQKSLIARLVWYQEGYEQPSDEDLKRVTQTWQSDEEDEESDLPFRQITEMTILTVQLIVEFAKGLPGFSKISQSDQITLLKASSSEVMMLRVARRYDAASDSVLFANNKAYTRDNYRQGGMAYVIEDLLHFCRCMFAMGMDNVHFALLTAIVIFSDRPGLEQPSLVEEIQRYYLNTLRIYIINQNSASSRCAVIYGRILSVLTELRTLGTQNSNMCISLKLKNRKLPPFLEEIWDVAEVATTHPTVLPPTNPVVL |
1R1K Chain:D ((21-263)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VPPLTANQKSLIARLVWYQEGYEQPSEEDLKRVTQTW-------DSDMPFRQITEMTILTVQLIVEFAKGLPGFAKISQSDQITLLKACSSEVMMLRVARRYDAATDSVLFANNQAYTRDNYRKAGMAYVIEDLLHFCRCMYSMMMDNVHYALLTAIVIFSDRPGLEQPLLVEEIQRYYLNTLRVYILNQNSASPRCAVIFGKILGILTEIRTLGMQNSNMCISLKLKNRKLPPFLEEIWDVA------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1R1K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157936 for 1799 contacts (-87.8/contact) +
2D Compatibility (PS) -25403 + (NN) -12332 + (LL) 20168
1D Compatibility (HY) -37600 + (ID) 10450
Total energy: -223553.0 ( -124.27 by residue)
QMean score : 0.477
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