Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRMLAEFEKIQAILMAFPHEFGDWAYCIEEARESFLHIIQTIAKHAKVLVCVHTNDTIGYETLKNL-------PGVEIARID-----TNDTWARDF-GAISVENHGVLECLDFGFNGWGLKYPSNLDNQVNFKLKHLGFLKHPLKTMPYILEGGSIESDGAGSILTNTQCLLEKNRNPHLNQNGIETMLKKELGAKQVLWYSYGYLKGDDTDSHTDTLARFLNKDTIVYSACEDENDEHYTALKKMQEELKTFKKLDGTPYKLIPLEIPKAVYNENQQRLPATYVNFLLCNNALIVPTYNDPN--DTLILETLRQHTP-LEVIGVDCNTLIKQHG--SLHCVTMQLY |
4YTB Chain:A ((13-313)) | --RAIAEYERSAAVLVRYP--FG-----------IPMELIKELAKNDKVITIVAS------ESQKNTVITQYTQSGVNLSNCDFIIAKTDSYWTRDYTGWFAMYDTNKVGLVDFIYN----RPRPNDDEFPKYEAQYLGIEMFGMKLK---QTGGNYMTDGYGSAV---QSHIAYTENSSLSQAQVNQKMKDYLG---ITHHDVVQDPNGEYINHVDCWGKYLAPNKILIRKVPDNHPQH-QALEDMAAYFAAQTCAWGTKY-----EVYRALATNEQ-----PYTNSLILNNRVFVPV-NGPASVDNDALNVYKTAMPGYEIIGVKGASGTPWLGTDALHCRTHEVA |
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General information:
TITO was launched using:
| RESULT:
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Template: 4YTB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140902 for 2371 contacts (-59.4/contact) +
2D Compatibility (PS) -30763 + (NN) -12343 + (LL) 3132
1D Compatibility (HY) -13600 + (ID) 4150
Total energy: -198626.0 ( -83.77 by residue)
QMean score : 0.399
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