Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEKWNHTSNDFILLGLLPPNQTGIFLLCLIILIFFLASVGNSAMIHLIHVDPRLHTPMYFLLSQLSLMDLMYISTTVPKMAYNFLSGQKGISFLGCGVQSFFFLTMACSEGLLLTSMAYDRYLAICHSLYYPIRMSKMMCVKMI-GGSWTLGSINSLAHTVFALHIPYCRSRAIDHFFCDVPAMLLLACTDTWVYEYMVFVSTSLFLLFPFIGITSSCGRVLFAVYHMHSKEGRKKAFTTISTHLTVVIFYYAPFVYTYLRPRNLRSPAEDKILAVFYTILTPMLNPIIYSLRNKEVLGAMRRVFGIFSFLKE |
3OE6 Chain:A ((45-197)) | -------------------NFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFV-ITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSV-WILAFISLDRYLAIVHATNSQ-RPRKLLAEKVVYVGVWIPALLLTIPDFIFA-----NVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMV |
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General information:
TITO was launched using:
| RESULT:
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Template: 3OE6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -94244 for 1022 contacts (-92.2/contact) +
2D Compatibility (PS) -15489 + (NN) -2364 + (LL) 1332
1D Compatibility (HY) -12800 + (ID) 2100
Total energy: -125665.0 ( -122.96 by residue)
QMean score : 0.110
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