Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATKASFNWEDPLLLDQQLTEEERMVRDSAQQFAQDKLAPRVLEAFRHEQTDPKIFREMGETGLLGATIPEAYGGSGLNYVCYGLIAREVERVDSGYRSMMSVQSSLVMVPIHEFGNEATRQKYLPKLASGEYIGCFGLTEPNHGSDPGSMVTRAKKVDGGYRLSGSKMWITNSPIADVFVVWAKDDEGQIRGFVLEKGWEGLSAPAIHGKVGLRASITGEIVMDNVFVPEENAFPEVRGLRGPFTCLNSARYGISWGALGAAEFCWHTARQYVLDRQQFGRPLAANQLIQKKLADMQTEITLALQGCLRLGRMKDEGTAAVEITSIMKRNSCGKALDIARLARDMLGGNGISDEFGIARHLVNLEVVNTYEGTHDVHALILGRAQTGIQAFF |
3D6B Chain:A ((4-393)) | ----ATFHWDDPLLLDQQLADDERMVRDAAHAYAQGKLAPRVTEAFRHETTDAAIFREMGEIGLLGPTIPEQYGGPGLDYVSYGLIAREVERVDSGYRSMMSVQSSLVMVPIFEFGSDAQKEKYLPKLATGEWIGCFGLTEP--------MVTRARKVPGGYSLSGSKMWITNSPIADVFVVWAKLDEDEIRGFILEKGCKGLSAPAIHGKVGLRASITGEIVLDEAFVPEENILPHVKGLRGPFTCLNSARYGIAWGALGAAESCWHIARQYVLDRKQFGRPLAANQLIQKKLADMQTEITLGLQGVLRLGRMKDEGTAAVEITSIMKRNSCGKALDIARLARDMLGGNGISDEFGVARHLVNLEVVNTY-----IHALILGRAQTGIQA-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3D6B.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177092 for 3267 contacts (-54.2/contact) +
2D Compatibility (PS) -40251 + (NN) -16768 + (LL) 32
1D Compatibility (HY) -48800 + (ID) 16050
Total energy: -298929.0 ( -91.50 by residue)
QMean score : 0.542
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