Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATKASFNWEDPLLLDQQLTEEERMVRDSAQQFAQDKLAPRVLEAFRHEQTDPKIFREMGETGLLGATIPEAYGGSGLNYVCYGLIAREVERVDSGYRSMMSVQSSLVMVPIHEFGNEATRQKYLPKLASGEYIGCFGLTEPNHGSDPGSMVTRAKKVDGGYRLSGSKMWITNSPIADVFVVWAKDDEG--QIRGFVLEKGWEGLSAPAIHGKVGLRASITGEIVMDNVFVPEENAFPEVRGLRGPFTCLNSARYGISWGALGAAEFCWHTARQYVLDRQQFGRPLAANQLIQKKLADMQTEITLALQGCLRLGRMKDEGTAAVEITSIMKRNSCGKALDIARLARDMLGGNGISDEFGIARHLVNLEVVNTYEGTHDVHALILGRAQTGIQAFF |
3GNC Chain:A ((8-397)) | ----ATFHWDDPLLLDQQLADDERMVRDAAHAYAQGKLAPRVTEAFRHETTDAAIFREMGEIGLLGPTIPEQYGGPGLDYVSYGLIAREVERVDSGYRSMMSVQSSLVMVPIFEFGSDAQKEKYLPKLATGEWIGCFGLTEP--------MVTRARKVPGGYSLSGSKMWITNSPIADVFVVWAKLDEDRDEIRGFILEKGCKGLSAPAIHGKVGLRASITGEIVLDEAFVPEENILPHVKGLRGPFTCLNSARYGIAWGALGAAESCWHIARQYVLDRKQFGRPLAANQLIQKKLADMQTEITLGLQGVLRLGRMKDEGTAAVEITSIMKRNSCGKALDIARLARDMLGGNG--DEFGVARHLVNLEVVNTYEGTHDIHALILGRAQTGIQA-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GNC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176338 for 3287 contacts (-53.6/contact) +
2D Compatibility (PS) -40578 + (NN) -16856 + (LL) 256
1D Compatibility (HY) -48400 + (ID) 16200
Total energy: -298116.0 ( -90.70 by residue)
QMean score : 0.547
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