Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRIGTPLSPSATRVLLCGSGELGKEVAIELQRLGCEVIAVDRYGNAPAMQVAHRSHVISMLDGAALRAVIEQEKPHYIVPEIEAIATATLVELEAEGYTVVPTARAAQLTMNREGIRRLAAEELGLPTSPYHFADTFEDYRRGVERVGYPCVVKPIMSSSGKGQSVLKGPDDLQAAWDYAQEGGRAGKGRVIVEGFIDFDYEITLLTVRHVDGTTFCAPIGHRQVKGDYHESWQPQAMSAQALAESERVARAVTEALGGRGLFGVELFVKGDQVWFSEVSPRPHDTGLVTLISQDLSEFALHARAILGLPIPVIRQLGPSASAVILVEGKSRQVAFANLGAALSEADTALRLFGKPEVDGQRRMGVALARDESIDAARAKATRAAQAVRVEL |
1KJQ Chain:A ((1-390)) | -TLLGTALRPAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAMHVAHRSHVINMLDGDALRRVVELEKPHYIVPEIEAIATDMLIQLEEEGLNVVPCARATKLTMNREGIRRLAAEELQLPTSTYRFADSESLFREAVADIGYPCIVKPVMS---KGQTFIRSAEQLAQAWKYAQQGGRAGAGRVIVEGVVKFDFEITLLTVSAVDGVHFCAPVGHRQEDGDYRESWQPQQMSPLALERAQEIARKVVLALGGYGLFGVELFVCGDEVIFSEVSPRPHDTGMVTLISQDLSEFALHVRAFLGLPVGGIRQYGPAASAVILPQLTSQNVTFDNVQNAVG-ADLQIRLFGKPEIDGSRRLGVALATAESVVDAIERAKHAAGQVKVQ- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1KJQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -221919 for 3451 contacts (-64.3/contact) +
2D Compatibility (PS) -43099 + (NN) -23697 + (LL) 260
1D Compatibility (HY) -46400 + (ID) 13150
Total energy: -348005.0 ( -100.84 by residue)
QMean score : 0.570
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