Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKLNMTPREIVAYLDEYIIEQKEAKKFIAIALRNRYRRLQLEKSLQEEITPKNILMIGSTGVGKTEIARRMAKIMKLPFVKVEASKYTEVGFVGRDVESMVRDLVNNSVLLVENEHKERLKDKIEEAVVEKIAKKLLPPLPSGVSEEKKQEYANSLLKMQQRIAQGELDSREIEIEVRKKSIEIDSNVPPEILRVQENLIKVFHKEQDKVKKTLSVKEAKEALKAEISD--TLLDGEAIKMEGLKRAESSGVIFIDEIDKIAVSSKEGSRQDPSKEGVQRDLLPIVEGSVVNTKYGSIKTEHILFIAAGAFHLSKPSDLIPELQGRFPLRVELENLTEEIMYMILTQTKTSIIKQYQALLKVEGVEIAFEDDAIKELAKLSYNANQKSEDIGARRLHTTIEKVLEDISFEAEDYSGQSVTITKELVQSKLGDLVADENLVKYIL |
1KYI Chain:A ((4-444)) | -----MTPREIVSELDQHIIGQADAKRAVAIALRNRWRRMQLQEPLRHEVTPKNILMIGPTGVGKTEIARRLAKLANAPFIKVEATKFTEV-------DSIIRDLTDSAMKLVRQQEIAKN-------------------------------------------------------------------------------------------------------------AAKLINPEELKQKAIDAVEQNGIVFIDEIDKIC-KKG----ADVSREGVQRDLLPLVEGSTVSTKHGMVKTDHILFIASGAFQVARPSDLIPELQGRLPIRVELTALSAADFERILTEPHASLTEQYKALMATEGVNIAFTTDAVKKIAEAAFRVNEKTENIGARRLHTVMERLMDKISFSASDMNGQTVNIDAAYVADALGEVVENEDLSRFIL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1KYI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -158476 for 2513 contacts (-63.1/contact) +
2D Compatibility (PS) -33850 + (NN) -9735 + (LL) 9948
1D Compatibility (HY) -31200 + (ID) 8600
Total energy: -231913.0 ( -92.29 by residue)
QMean score : 0.595
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