Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | -------MRQIKVVLIG-GGTGLSVMARGLREFPIDITAIVTVADNGGSTGKIRDEMDIPAPGDIRNVIAALSDSESVLSQLFQYRFEENQISGHS----LGNLLIAGMTNITNDFGHAIKALS--KILNIKGRVIPSTN-TSVQLNAVMEDGEIVFGETNIPKKHKKI---DRV-FLEPNDVQPMEEAIDALR------------EADLIVLGPGSLYTSVISNLCVN-GISDALIHSDAPKLYVSNVMTQ--PGETDGY-SVKDHIDAIHRQAGQPFIDYVICSTQT-FNAQVLKKYEEK------HSKPVEVNKAELEKESINVKTSSNLVEISENHLVRHNT-KVLSTMIYDIALELISTIPFVPSDKRK----------- |
| 1NI3 Chain:A ((11-388)) | KVQWGRPGNNLKTGIVGMPNVGKSTFFRAITK-----SVLGNPANYPYATID-PEEAKVAVPDERFDWLCEAYKPKSRVPAFLTVFDIAGLTKGASTGVGLGNAFLSHVRAV-DAIYQVVRAFDDAEIIHVEGDVDPIRDLSIIVDELLIKDAEFVEKHLEGLRKITSRGANTLEMKAKKEEQAIIEKVYQYLTETKQPIRKGDWSNREVEIINSLYLLTAKPVIYLVNMSERDFLRQKNKYLPKIKKWIDENSPGDTLIPMSVAFEERLTNFTEEEAIEECKKLNTKSMLPKIIVTGYNALNLINYFTCGEDEVRSWTIRKGTKAPQAAGVIHTDFEKAFVVGEIMHYQDLFDYKTENACRAAGKYLTKGKEYVMESGDIAHWK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NI3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -10859 for 2265 contacts (-4.8/contact) +
2D Compatibility (PS) -33675 + (NN) 429 + (LL) 580
1D Compatibility (HY) -6800 + (ID) 2300
Total energy: -52625.0 ( -23.23 by residue)
QMean score : 0.146
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