Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDMWDVRITDTSLRDGSHHKR-HQFTKDEVGAIVAALDAAGVPVIEVTHGDGLGGSSFNYGFSKTPEQELIKLAAATAKEARIAFLMLP----GVGT-KDD-----IKEARDNGGSICRIATHCTEADVSIQHFGLARELGLETVGFL--MMAHTIAPEKLAAQARIMADAGCQCVYVVDSAGALVLDGVADRVSALVAELGEDAQVGFHGHENLGLGVANSVAAVRAGAKQIDGSCRRFGAGAGNAPVEALIGVFDKIGVKTGIDFFDIADAAEDVVRPAMPA---ECLLDRNALIMGYSGVYSSFLKHAVRQAERYGV---------PASALLHRAGQRKLIGGQEDQLIDIALEIKRELDSGAAVTH |
2NX9 Chain:A ((4-360)) | --AIKRVGVTDVVLRDAHQSLFATRLRIDDMLPIAQQLDQIGYWSLECWGGAT---FDSCIRFLGEDPWQRLRLLKQAMPNTPLQMLLRGQNLLGYRHYADDVVDTFVERAVKNGMDVFRVFDAMNDVRNMQQALQAVKKMGAHAQGTLCYTTSPVHNLQTWVDVAQQLAELGVDSIALKDMAGILTPYAAEELVSTLKKQV--DVELHLHCHSTAGLADMTLLKAIEAGVDRVDTAISSMSGTYGHPATESLVATLQGTGYDTGLDIAKLEQIAAYFRDVRKKYHAFEGMMKGSDARILVAQVPGGMLTNMESQLKQQNALDKLDLVLEEIPRVREELGFLPLVTPTSQIVGTQAVINVVLGE------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2NX9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164457 for 2858 contacts (-57.5/contact) +
2D Compatibility (PS) -35364 + (NN) -9023 + (LL) 400
1D Compatibility (HY) -8800 + (ID) 3050
Total energy: -220294.0 ( -77.08 by residue)
QMean score : 0.470
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