Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVRTLPLLFLNLGGEMLYILDQRLRAQNIPGDKARKDEWTEVDRKRVLNDIISTMFNRKFMEELFKPQELYSKKALRTVYERLAHASIMKLNQASMDKLYDLMTMAFKYQVLLCPRPKDVLLVTFNHLDTIKGFIRDSPTILQQVDETLRQLTEIYGGLSAGEFQLIRQTLLIFFQDLHIRVSMFLKDKVQNNNGRFVLPVSGPVPWGTEVPGLIRMFNNKGEEVKRIEFKHGGNYVPAPKEGSFE-LYGDRVLKLGTNMYSVNQPVETHVSGSSKNLASWTQESIAPNPLAKEELNFLARLMGGMEIKKPSGPEPGFRLNLFTTDEEEEQAALTRPEELSYE----------VINIQATQDQQRSEELARIMGEFEITEQPRLSTSKGDDLLAMMDEL- |
1B6R Chain:A ((1-355)) | --MKQVCVLG---NGQLGRMLRQAGEPLGIAVWPVGLDA--EPAAVPFQQSVITAEI------ERWPETALTRQLARHPAFVNRDVFPIIADRLTQKQLFDKLHLPTAPWQLLAERSEWPAVFDRLGE----LAIVKRRTGQWRLRANETEQLPAECYG----------ECIVEQGINFSGEVSLVG---ARGFDGSTVFY---PLTHNLHQDGILRTSVAFPQANAQQQARAEEMLSAIMQELGYVGVMAMECFVTPQGLLINELAPRVH------NSGHWTQNGASIS-----QFELHLRAITDLPLPQPVVNNPSVMINLIGSDVNYDWLKLPLVHLHWYDKEVRPGRKVGHLNLTDSDTSRLTATLEAL--------IPLLPPEYASGVIWAQSKFG |
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General information:
TITO was launched using:
| RESULT:
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Template: 1B6R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -43340 for 2749 contacts (-15.8/contact) +
2D Compatibility (PS) -35252 + (NN) -2760 + (LL) 3628
1D Compatibility (HY) -6800 + (ID) 2150
Total energy: -86674.0 ( -31.53 by residue)
QMean score : 0.251
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