Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEKKYILALDQGTTSSRAMIIDEEGEVIGVAQEEFDQIFPKPGWVEHNANEIWASILAVIAGVLLKTNISSKEIAGIGITNQRETTVIWDKESGNPIYNAIVWQSRQTEDICKQLRKDGYEDTIRSKTGLLIDPYFAGTKARWILDHVDGAQERAEKGELLFGTIDTWLVWKLTGGRAHITDYSNASRTLLYNIYDLEWDDELLKMLNIPKAMLPEVRPSSEVYADTVPYHFFGEEVPVAGIAGDQQAALFGQGCFEKGMAKNTYGTGCFLLMNTGEKAVRSENGLLTTLAWGIDGKVEYALEGSIFVAGSAIQWLRDGLRMVRQSSDSENYASRIESSDGVYVVPAFVGLGAPYWDSDVRGAVFGLTRGTEKEQFIRATLESLAYQTRDVLYAMEQDSGISLKTLRVDGGASANNFLMQFQSDILGVPVERPENKETTVLGAAFLAGLAVGVWKDKNEIKKHWKLDKRFEVEMKEEQREDLYEGWHKAVKAAQAFK |
1BOT Chain:O ((3-497)) | --KKYIVALDQGTTSSRAVVMDHDANIISVSQREFEQIYPKPGWVEHDPMEIWATQSSTLVEVLAKADISSDQIAAIGITNQRETTIVWEKETGKPIYNAIVWQCRRTAEICEHLKRDGLEDYIRSNTGLVIDPYFSGTKVKWILDHVEGSRERARRGELLFGTVDTWLIWKMTQGRVHVTDYTNASRTMLFNIHTLDWDDKMLEVLDIPREMLPEVRRSSEVYGQTNIGGKGGTRIPISGIAGDQQAALFGQLCVKEGMAKNTYGTGCFMLMNTGEKAVKSENGLLTTIACGPTGEVNYALEGAVFMAGASIQWLRDEMKLINDAYDSEYFATKVQNTNGVYVVPAFTGLGAPYWDPYARGAIFGLTRGVNANHIIRATLESIAYQTRDVLEAMQADSGIRLHALRVDGGAVANNFLMQFQSDILGTRVERPEVREVTALGAAYLAGLAVGFWQNLDELQEKAVIEREFRPGIETTERNYRYAGWKKAVKRAMAWE |
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General information:
TITO was launched using:
| RESULT:
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Template: 1BOT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -215110 for 4846 contacts (-44.4/contact) +
2D Compatibility (PS) -53204 + (NN) -20785 + (LL) 312
1D Compatibility (HY) -53200 + (ID) 15650
Total energy: -357637.0 ( -73.80 by residue)
QMean score : 0.479
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