Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTVPARPTPLFADIADVSRR---LAETGYLPDTATATAVFLADRLGKPLLVEGPAGVGKTELARAVAQATGSGLVRLQCYEGVDEARALYEWNHAKQILRIQAGSGDWEATKTDVFSEEFLLQRPLLTAIRRTEPTVLLIDETD-----------KADIEIEGLLLEVLSDFAVTVPELGTLTATRAPFVLLTSNATRELSEALKRRC-LYLHIDFPTPELERRILL----SRVPELPEHFA-EELVRIIGVLRGMQLKKVPSIAETIDWGRTVLALGLDTIDDAVVAATLGVVLKHQSDQQRATGELRLN |
4CR2 Chain:M ((170-410)) | MEVDEKPTETYSDVGGLDKQIEELVEAIVLPMKRADKFKDMGIRAPKGALMYGPPGTGKTLLARACAAQTNATFLKL----------------AAPQLVQMYIGEGAK-------------LVRDAFALAKEKAPTIIFIDELDAIGTKRFDSEKSGDREVQRTMLELLN-------QLDGFSSDDRVKVLAATNRVDVLDPALLRSGRLDRKIEFPLPSEDSRAQILQIHSRKMTTDDDINWQELARSTDEFNGAQLKAV-----TVEAGMIALRNGQSSV----------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CR2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -93675 for 1606 contacts (-58.3/contact) +
2D Compatibility (PS) -23186 + (NN) -7395 + (LL) 5432
1D Compatibility (HY) -7200 + (ID) 3500
Total energy: -129524.0 ( -80.65 by residue)
QMean score : 0.186
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