Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKWIKGAVVFVGGFATITTFSLIYHQKPKAPLNNQPSLLNDDEVKYPLQDYTFTQNPQPTNTESSKDATIKALQEQLKAALKALNSKEMNYSKEETFTSPPMDPKTTPPKKDFSPKQLDLLASRITPFKQSPKNYEENLIFPVDNPNGIDSFTNLKEKDIATNENKLLRTITADKMIPAFLITPISSQIAGKVIAQVESDIFASMGKAVLIPKGSKVIGYYSNNNKMGEYRLDIVWSRIITPHGINIMLTNAKGADIKGYNGLVGELIERNFQRYGVPLLLSTLTNGLLIGITSALNNRGNKEEVTNFFGDYLLLQLMRQSGMGINQVVNQILRDKSKIAPIVVIREGSRVFISPNTDIFFPIPRENEVIAEFLK |
1E72 Chain:M ((94-131)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YRFSIAWSRII-PRGKRSRGVNEKGIDY--YHGLISGLIKKGITPFVTLFHWDLPQTLQDEYEGFLDPQIIDDFKDYADLCFEEFGDSVKYWLTINQLYSVPTRGYGSALDAPGRCSPTVDPSCYAGNSSTEPYIVAHHQLLAHAK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E72.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -14140 for 181 contacts (-78.1/contact) +
2D Compatibility (PS) -3768 + (NN) 1448 + (LL) 12488
1D Compatibility (HY) -2800 + (ID) 950
Total energy: -7722.0 ( -42.66 by residue)
QMean score : 0.077
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