Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKGNAPVLAAVDISKGFRVYRAPHQRMLQAIWGERKKFYSEFWALRNVSFQVFPGEVVGVIGCNGSGKSTLLQILAGTLRPTSGQVV----------RPERVAALLELGAGFNMEYTGRENIIFNAMLLGL-----GEQEISERLDEIIQFADIGEFIDRPVRTYSSGMFVRLAFSIAAYVDADVLIVDEALAVGDAAFQFKCLNRLEELLLK-GITILLVSHDIQLIKSYCSRAIYLSKGRVIFDGDCETATELYLRDSIETQRAEVRSGSLIASGEHGNSVIAYGNGQGRFLSIRMGVLDEARDYFDSGERVWVEVLVQFDLPVPEHPKITLTIRDQRGYNLYGINNLLLGKALNVEPDGRLRTRISFDCDLQAGEYALTFRLENSLSESVCELMDKKVNAAIFRVFNSPKCFDAVVNLHGAFEPVPFCCETRATQ |
3DHW Chain:C ((18-229)) | -----------------------------------------IQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDEATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELI---EQDTVSEVFSHPKTPLAQKFIQSTLHLDIPEDYQERLQAEPFTDCVPMLRLEFTGQSVDAPLLSETARRFNVNNNIISAQMDYAGGVKFGIMLTEMHGTQQDTQAAIAWLQEHHVKVEVLGYV-------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DHW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -197412 for 1527 contacts (-129.3/contact) +
2D Compatibility (PS) -21055 + (NN) -4827 + (LL) 7504
1D Compatibility (HY) -10800 + (ID) 3050
Total energy: -229640.0 ( -150.39 by residue)
QMean score : 0.565
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