Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKLNMTPREIVAYLDEYIIEQKEAKKFIAIALRNRYRRLQLEKSLQEEITPKNILMIGSTGVGKTEIARRMAKIMKLPFVKVEASKYTEVGFVGRDVESMVRDLVNNSVLLVENEHKERLKDKIEEAVVEKIAKKLLPPLPSGVSEEKKQEYANSLLKMQQRIAQGELDSREIEIEVRKKSIEIDSNVPPEILRVQENLIKVFHKEQDKVKKTLSVKEAKEALKAEISD---TLLDGEAIKMEGLKRAESSGVIFIDEIDKIAVSSKEGSRQDPSKEGVQRDLLPIVEGSVVNTKYGSIKTEHILFIAAGAFHLSKPSDLIPELQGRFPLRVELENLTEEIMYMILTQTKTSIIKQYQALLKVEGVEIAFEDDAIKELAKLSYNANQKSEDIGARRLHTTIEKVLEDISFEAEDYSGQSVTITKELVQSKLGDLVADENLVKYIL |
1G3I Chain:B ((4-444)) | -----MTPREIVSELDQHIIGQADAKRAVAIALRNRWRRMQLQEPLRHEVTPKNILMIGPTGVGKTEIARRLAKLANAPFIKVEATKFTEV-------DSIIRDLTDSAMKLVRQQEIAKNR---------------------------------------------------------------------------------------------------------IDDEAAKLINPEELKQKAIDAVEQNGIVFIDEIDKIC-KKG----ADVSREGVQRDLLPLVEGSTVSTKHGMVKTDHILFIASGAFQVARPSDLIPELQGRLPIRVELTALSAADFERILTEPHASLTEQYKALMATEGVNIAFTTDAVKKIAEAAFRVNEKTENIGARRLHTVMERLMDKISFSASDMNGQTVNIDAAYVADALGEVVENEDLSRFIL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1G3I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168895 for 2560 contacts (-66.0/contact) +
2D Compatibility (PS) -34076 + (NN) -9720 + (LL) 9784
1D Compatibility (HY) -31600 + (ID) 8700
Total energy: -243207.0 ( -95.00 by residue)
QMean score : 0.582
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