Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKILNGTDQVVEQMVEGLVKSHADVVHRVEGTRVIARNDKRPGKVGLVSGGGSGHEPAHAGYVGRGMLSAAVCGDVFTSPTPDQIYEGIKAADQGAGVLLIVKNYTGDVMNFEMAADLADADDIKVEQIVVDDDIAVEDSTFTTGRRGVAGTVLVHKIIGAAAEAGASLDELKALGEKVIASVKTLGVALSPCTVPEVGHPGFELGDDEIELGIGIHGEPGFTREKIMPSASLAKQLYERISNESKLL--AGDKVVVLVNGMGATPLMEQYVFANDVHELLKNAGVQVEKTLVGDYMTSLEMAGLSLTILKLEDEKWVDMLKLPVDTIAW |
2IU6 Chain:B ((2-328)) | --EFYNSTNEIPEEMLKGIDLTYPQLTYLPE-TGILYDNTYNEKTVPIISGGGSGHEPAHVGYVGSGMLAAAVTGPLFIPPKSKNILKAIRQVNSGKGVFVIIKNFEADLKEFNEAIKEARTEGIDVRYIVSHDDISVNAYNFHKRHRGVAGTILLHKILGAFAKEGGSIDEIEQLALSLSPEIYTLGVALAPV--------------DEVSFGIGIHGEPGYRVEKFEGSERIAIELVNKLKAEINWQKKANKNYILLVNGLGSTTLMELYSFQYDVMRLLELEGLSVKFCKVGNLMTSCDMSGISLTLCSVKDPKWLDYLNVPTGAFAW |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IU6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176227 for 2785 contacts (-63.3/contact) +
2D Compatibility (PS) -33857 + (NN) -15349 + (LL) 224
1D Compatibility (HY) -32000 + (ID) 6600
Total energy: -263809.0 ( -94.72 by residue)
QMean score : 0.569
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