Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MVKVQTGGKLYIAGEYAILYPGQV-AILKNIPIYMTALATFADNYSLYSDMFNYTA-----SL--QPDKQYSLIQETILLMEEWLINFGKNIKPIHLEITGKLE----RYGLKFGIGSSGSVVVLTIKAMAALYEIEMPSDLLFKLSAYVLLKRGDNGSMGDIACIAYEHLISYS-AFDRRAVSKMIETKPLEQVLEAEWGY-RITKIQASLEMDFLVGWTMQPSISKEMINIVKSTI------TQRFLDDTNYQVVQLLSAFKEGDKEAIKRCLEEISLLLFNLHP----SIYTDKLQKLKEASKGLDIVTKSSGSGGGDCGIAISFNKNDNQTLIKRWESAGIELLSKETLS |
| 3K17 Chain:A ((6-350)) | KLQVKIPGKLYVAGEYA-VVESGHTAILTAVNRYITLTLEDSERNELWIPHYENPVSWPIGGELKPDGEHWTFTAEAINIATTFLKSEGIELTPVKMVIETELIDQSGA---KYGLGSSAAATVAVINALMTKFYPEISMLKKFKLAALSHLVVQGNGSCGDIASCMYGGWIAYTTFDQEWVKHRLAYKS-LEWFMKEPWPMLQIETL-EEPVPTFSVGWTGTPVSTGKLVSQIHAFKQEDSKNYQHFLTRNNEIMKQIIQAFHTKDEELLYSSIKENRRILQELGTKAGVNIETSLLKELADSAENMGGAGKSSGSGGGDCGIAFSKTKELAEKLVNEWEKLGIKHLPFHTGR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K17.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -216009 for 2796 contacts (-77.3/contact) +
2D Compatibility (PS) -34342 + (NN) -11671 + (LL) 280
1D Compatibility (HY) -14800 + (ID) 4700
Total energy: -281242.0 ( -100.59 by residue)
QMean score : 0.547
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