Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEKKYILALDQGTTSSRAMIIDEEGEVIGVAQEEFDQIFPKPGWVEHNANEIWASILAVIAGVLLKTNISSKEIAGIGITNQRETTVIWDKESGNPIYNAIVWQSRQTEDICKQLRKDGYEDTIRSKTGLLIDPYFAGTKARWILDHVDGAQERAEKGELLFGTIDTWLVWKLTGGRAHITDYSNASRTLLYNIYDLEWDDELLKMLNIPKAMLPEVRPSSEVYADTVPYHFFGEEVPVAGIAGDQQAALFGQGCFEKGMAKNTYGTGCFLLMNTGEKAVRSENGLLTTLAWGIDGKVEYALEGSIFVAGSAIQWLRDGLRMVRQSSDSENYASRIESSDGVYVVPAFVGLGAPYWDSDVRGAVFGLTRGTEKEQFIRATLESLAYQTRDVLYAMEQDSGISLKTLRVDGGASANNFLMQFQSDILGVPVERPENKETTVLGAAFLAGLAVGVWKDKNEIKKHWKLDKRFEVEMKEEQREDLYEGWHKAVKAAQAFK |
3H45 Chain:D ((4-498)) | --KNYVMAIDQGTTSSRAIIFDRNGKKIGSSQKEFPQYFPKSGWVEHNANEIWNSVQSVIAGAFIESGIRPEAIAGIGITNQRETTVVWDKTTGQPIANAIVWQSRQSSPIADQLKVDGHTEMIHEKTGLVIDAYFSATKVRWLLDNIEGAQEKADNGELLFGTIDSWLVWKLTDGQVHVTDYSNASRTMLYNIHKLEWDQEILDLLNIPSSMLPEVKSNSEVYGHTRSYEFYGSEVPIAGMAGDQQAALFGQMAFEKGMIKNTYGTGAFIVMNTGEEPQLSDNDLLTTIGYGINGKVYYALEGSIFVAGSAIQWLRDGLRMIETSPQSEELAAKAKGDNEVYVVPAFTGLGAPYWDSEARGAVFGLTRGTTKEDFVRATLQAVAYQSKDVIDTMKKDSGIDIPLLKVDGGAAKNDLLMQFQADILDIDVQRAANLETTALGAAYLAGLAVGFWKDLDELKSMAEEGQMFTPEMPAEERDNLYEGWKQAVAATQTFK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3H45.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -234666 for 4712 contacts (-49.8/contact) +
2D Compatibility (PS) -53273 + (NN) -22329 + (LL) 312
1D Compatibility (HY) -51600 + (ID) 15900
Total energy: -377456.0 ( -80.11 by residue)
QMean score : 0.566
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