Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPIKIAINGTGRIGLCAIRVASQRKDVEIVAINSTAELETLLHLIRHDSVHGHFEAKLNANRTLNIGHSKNILVLSERDINKLDFSVANAEIIIECTGKFNSLEASSAHLKNSVKKVIISAPAQNAP-TFVYGVNHTNYHNES--VISNASCTTNATAPLLKILDEAFKVENALLTTIHSYTNDQNLLDTKHKDIRRARAASLNLIPTSTGVSKAISLVLPHLGPKITGLAIRVPTPNVSLVDLSLNFKKVVSKASVQHALKDASKHAFKGIVSVDEERLVSSDFISSPFSAIVIDDQIMTIGEKNAKVLAWYDNEMGYSERLIDMAQYIAQN |
1NPT Chain:P ((2-330)) | --VKVGINGFGRIGRNVFRAALKNPDIEVVAVNDLTDANTLAHLLKYDSVHGRLDAEVSVNGNNLVVNGKEIIVKAERDPENLAWGEIGVDIVVESTGRFTKREDAAKHLEAGAKKVIISAPAKNEDITIVMGVNQDKYDPKAHHVISNASATTNCLAPFAKVLHEQFGIVRGMMTTVHSYTNDQRILDLPHKDLRRARAAAESIIPTTTGAAKAVALVLPELKGKLNGMAMRVPTPNVSVVDLVAELEKEVTVEEVNAALKAAAEGELKGILAYSEEPLVSRDYNGSTVSSTIDALSTMVIDGKMVKVVSWYDNETGYSHRVVDLAAYIASK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NPT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -205393 for 2894 contacts (-71.0/contact) +
2D Compatibility (PS) -34276 + (NN) -6073 + (LL) 68
1D Compatibility (HY) -26000 + (ID) 7750
Total energy: -279424.0 ( -96.55 by residue)
QMean score : 0.422
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