Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRVENVDNVSFALNGRADEWCMSVETRLDSLVREKSEVKAYVGGCPSVITDAGAYDALFDMRRRWSNNGGFPLRMLEESSSEVTSSSALGLPPAMVMSPESLASPEYRALELWSYDDGITYNTAQSLLGACNMQQQQLQPQQPHPAPPTLPTMPLPMPPTTPKSENESMSSGREELSPASSINGCSADADARRQKKGPAPRQ-QEELCLVCGDRASGYHYNALTCEGCKGFFRRSVTKNAV--YICKFGHACEMDMYMRRKCQECRLKKCLAVGMRPECVIQEPSKNKDRQRQKKDKGILLPVSTTTVEDHMPPIMQCDPPPPEAARIHEVVPRYLSEKLMEQNRQKNIPPLSANQKSLIARLVWYQEGYEQPSDEDLKRVTQTWQSDEEDEESDLP---FRQITEMTILTVQLIVEFAKGLPGFSKISQSDQITLLKASSSEVMMLRVARRYDAASDSVLFANNKAYTRDNYRQGGMAY-VIEDLLHFCRCMFAMGMDNVHFALLTAIVIFS-DRPGLEQPSLVEEIQRYYLNTLRIYI-INQNSASSRCAVIYGRILSVLTELRTLGTQNSNMCISLKLKNRKLPPFLEEIWDVAEVATTHPTVLPPTNPVVL |
4NQA Chain:B ((4-388)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KKGPAPKMLGHELCRVCGDKASGFHYNVLSCEGCKGFFRRSVVRGGARRYACRGGGTCQMDAFMRRKCQQCRLRKCKEAGMREQCVLSEEQIRKKKIRKQQ--------QQESQSQSQSPV---GPQGSSS----------------QGSGEGEGVQLTAAQELMIQQLVAAQLQCNKRSFSDQPKVT-PWPLGADPQSRDARQQRFAHFTELAIISVQEIVDFAKQVPGFLQLGREDQIALLKASTIEIMLLETARRYNHETECITFLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMRRLGLDDAEYALLIAINIFSADRPNVQEPGRVEALQQPYVEALLSYTRIKRPQDQLR----FPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWD-------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NQA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164329 for 2384 contacts (-68.9/contact) +
2D Compatibility (PS) -37947 + (NN) -18912 + (LL) 14124
1D Compatibility (HY) -28000 + (ID) 7500
Total energy: -242564.0 ( -101.75 by residue)
QMean score : 0.456
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