Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTSIIERIDAWAEKTPDFPCYEYAGTRLSYKELKRQSDAFGSFLLKNLITDKEKPIIVYGHMSPLMLVAFLGSIKSGRAYVPVDVSMPVERIEQIKKAADPSMFICTEELPNNLTITGCPVLTQDQLMDALEKHFGEVPDKEACVNNDDNYYIIYTSGSTGNPKGVQISQNNLVSFSNWILQDFSLSQGLRFLNQAPFSFDLSVMDLYPSLLSGGTLVPLDKTITANMKDLYREIPAQNLDVWVSTPSFADLCLLDENFNQENNPRLTRFLFCGEVLAKKTASEL-------LDRFPDAVIYNTYGPTEATVAVTQVKVTR--EIIDAYPSLPLG-VIKPDMRLHIVDQETGEVLPEGEKGEIVLIGASVSKGYLNEPEKTDQVFFD---YKGYQAYRTGDSG-IIKDGYLFFQGRLDFQIKLHGYRIELEDIENNLKKVSYIQNCAIIPKMKDEKVDMLVAQVIPTTHDFEKEYQLSAAIKKELKEFMPAYMIPRKWIYKTDFPLTMNGKIDRKSLNSEVNK |
4D57 Chain:A ((31-516)) | ---SIHQLFETQVERTPEAVAVLSEQGQLTYEELNTKANQLAHYL-RTLGVKSETLVGVCVDRSLEMVIGLLAILKAGGAYVPLDPTYPRERLTYMVQDAQISVLVTQTQWSNLISDYQGQVICLDSQWAKIASYSQE--NLVNTVNPENLAYVIYTSGSTGKPKGVMIEHQSLVNFTKLAIAQYQITTSDRTLQFVSISFDVAAEEIYVTLCSGATLILRTEEMISSIPSFVQKSQDWQITVWSLPTAYWHLLVNELVKSKIALPDSLRLVIIG---GERVQPELVRMWFKNVGNFPELI--NVYGPTEGTIAVSLCRLSQLTESQRNRTEIPIGKSLGENISVYVLD-ETLKTVPPETPGEIYIGGTALARGYLNRPELTAQKFIQDPFSPSERLYKTGDLGRYLADGNLEYLGRVDHQVKINGFRVELGEIETVLLQHHQVAQAVVIDR-------RLVAYLVP--HSTEE--NLTVTLQQFLKNKLPSYMIPATFVVL---------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4D57.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -240040 for 3995 contacts (-60.1/contact) +
2D Compatibility (PS) -50257 + (NN) -18809 + (LL) 3036
1D Compatibility (HY) -32400 + (ID) 6800
Total energy: -345270.0 ( -86.43 by residue)
QMean score : 0.492
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