Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQSSQLLPLGSLLLSFATPLAQADALHDQASALFKPIPEQVTELR-------GQPISEQQRELGKKLFFDPRLSRSHVLSCNTCHNVGTGGADNVPTSVGHGWQKGPRNSPTVFNAVFNAAQFWDGRAKDLGEQAKGPIQNSVEMHSTPQLVEQTLGSIPEYVDAFRKAFPKAGKPVSFDNMALAIEAYEATLVTPDSPFDLYLKGDDKALDAQQKKGLKAFMDSGCSACHNGINLGGQAYFPFGLVKKPDASVLPSGDKGRFAVTKTQSDEYVFRAAPLRNVALTAPYFHSGQVWELKDAVAIMGNAQLGKQLAPDDVENIVAFLHSLSGKQPRVEYPLLPASTETTPRPAE |
2C1V Chain:B ((9-335)) | ------------------------ALREEAKGVFEAIPEKMTAIKQTEDNPEGVPLTAEKIELGKVLFFDPRMSSSGLISCQTCHNVGLGGVDGLPTSIGHGWQKGPRNAPTMLNAIFNAAQFWDGRAADLAEQAKGPVQAGVEMSNTPDQVVKTINSMPEYVEAFKAAFPEEADPVTFDNFAAAIEQFEATLITPNSAFDRFLAGDDAAMTDQEKRGLQAFMETGCTACHYGVNFGGQDYHPFGLIAKPGAEVLPAGDTGRFEVTRTTDDEYVFRAAPLRNVALTAPYFHSGVVWELAEAVKIMSSAQIGTELTDQQAEDITAFLGTLTGEQPVIDHPILPVRTGTTPLP-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C1V.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86240 for 2678 contacts (-32.2/contact) +
2D Compatibility (PS) -33883 + (NN) -21195 + (LL) 2024
1D Compatibility (HY) -31600 + (ID) 9900
Total energy: -180794.0 ( -67.51 by residue)
QMean score : 0.553
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