Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MANKELKRGLGARHIQMIALGGTIGVGLFMGSASTISWTGPSVLLAYAICGIFIFFIMRAMGEMLYVEPSTGSFATFGHQYIHPMAGYITAWSNWFQWIIVGMSEIIAVGSYTKYWFPDLPA----WIPGIVAMVILGAANLISVKSFGEFEFWFAMIKIVTIILMIIAGIGIIFFG-FGNGGDAIGLSNLWSHGGFFAGGFSGFFFALSLVIAAYQGVELIGITAGEAKDPQNTLRNAIQSIIWRILI---FYIGAIFVIVTVYPWDELNSLGSPFVSTFSKIGITAAAGIINFVVITAAMSGCNSGIFSAGRMLYTLGVNGQAPKFFKKISRNGVPLYGTIAVLIGLAVGVVLNYIAP--PKIFVYVYSASVLPGMIPWF-----IILISHIGFRKAKGAALDKHPFKMPFAPFTNYLTIAFLLMVLVGMWFNDDTRISLIVGVIFLALVVISYYVFGIGKRTQANLTKSEQAAE |
3LRB Chain:A ((6-388)) | -----DAHKVGLIPVTLMVSGNIMGSGVFLLPANLAS-TGGIAIYGWLVTIIGALGLSMVYAKMSFLDPSPGGSYAYARRCFGPFLGYQTNVLYWLACWIGNIAMVVIGVGYLSYFFPILKDPLVLTITCVVVLWIFVLLNIVGPKMITR-------VQAVATVLALIPIVGIAVFGWFWFRGETYMAA--WNVSGL--GTFGAIQSTLNVTLWSFIGVESASVAAGVVKNPK---RNVPIATIGGVLIAAVCYVLSTTAIMGMIPN-------------------TAGA-IVSFCAAAGCLGSLGGWTLLAGQTAKAAADDGLFPPIFARVNKAGTPVAGLIIVGILMTI-FQLSSISPNATKEFGLVSSVSVIFTLVPYLYTCAALLLLGHGHFGKARPAYL------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LRB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -305407 for 3034 contacts (-100.7/contact) +
2D Compatibility (PS) -35534 + (NN) -413 + (LL) 8832
1D Compatibility (HY) -25600 + (ID) 4600
Total energy: -362722.0 ( -119.55 by residue)
QMean score : 0.239
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