Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVTLINNENNARYEFETIECTRGPKAVDFSKLFETTGFFSYDPGYSSTAGCQSKISYINGKKGELYYRGHRIEDLVAKYKYVDVCRLLLTGELPKNQDESLEFELELRHRSFVHESLLNMFSAFPSNAHPMAKLSSGVSILSTLYSTHQNMHTEEDYQTMARRIVAKIPTLAAICYRNEVGAPIIYPDIARSYVENILFMLRGYPYSRLKHTTQGEVGITPLEVEAFDKILTLHADHGQNASSTTVRNVASTGVHPYAAISAGISALWGHLHGGANEKVLLQLEEIGDVKNVDKYIARVKDKNDNFKLMGFGHRVYKSYDPRAKILKGLKDELHQKGVKMDERLSEIAAKVEEIALKDEYFIERNLYPNVDFYSGTILRALKIPVRFFTPVFVIGRTVGWCAQLLEHVKSPQARITRPRQVYVGD |
3MSU Chain:B ((13-421)) | --ATLKYADKNIEIELPVYSPSLGNDCIDVSSLVKH-GIFTYDPGFMSTAACESKITYIDGGKGVLLHRGYPIEEWTQKSNYRTLCYALIYGELPTDE-QVKSFRQEIINKMPVCEHVKAAIAAMPQHTHPMSSLIAGVNVLA---AEHIHNGQKESQDEVAKNIVAKIATIAAMAYRHNHGKKFLEPKMEYGYAENFLYMM----FADDESYKPDE-----LHIKAMDTIFMLHADHEQNASTSTVRLSGSTGNSPYAAIIAGITALWGPAHGGANEAVLKMLSEIGSTENIDKYIAKAKDKDDPFRLMGFGHRVYKNTDPRATAMKKNCEEILAKLGHSDNPLLTVAKKLEEIALQDEFFIERKLFSNVDFYSGIILKAMGIPEDMFTAIFALARTSGWISQWIEMVNDPAQKIGRPRQLYTGA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MSU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -214164 for 3353 contacts (-63.9/contact) +
2D Compatibility (PS) -43354 + (NN) -16281 + (LL) 492
1D Compatibility (HY) -30400 + (ID) 9500
Total energy: -313207.0 ( -93.41 by residue)
QMean score : 0.469
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