Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSQANELLIGAGPDGQPVGQAWRLANRHGLIAGATGTGKTVTLQHLAESFSDAGVAVFAADIKGDLCGIAAPGNPQGKVAERIASMPWLNYQPKAYPTTLWDIAGKTGHPLRTTISEMGPLLLA----------NLLELTDSQQAALFAAFQVADREGLLLLDLKDLKALLNHLKDNPEILGEDRALFTGASGQALLRRLATLEQQGAEAFFGEPALQLEDILRPEPDGRGRIHLLDASRLVHEAPKVYATFLLWLLAELFEQLPERGDADKPVLALFFDEAHLLFNGTPKALRDRLEQVVRLIRSKGVGVYFVTQSPGDLPDDVLAQLGLRIQHGLRAFTAKEQKSLRAVADGFRPNPAFDTLGVLTELGIGEALVGTLEEKGTPAMVQRVAVAPPYSRIGPLSDSERAELVQRSPLKGRYDQPIDRESAYEVLANKAGAKPEVQGQATAQQESSSGVGGMAGQILGSLLSNSTVKSAMRQAANQLSRELVRGLLGSLMGGKKRR |
| 4AK9 Chain:A ((185-341)) | -----------------------------MIVGVNGGGKTTTLGKLANRFKKEGVKVLMA--AGDT---AAAGEQLEVWAQRTGSEIVMA----PRP------AAVLSQAVRRAVEEDFDVVLCDTSGRLHTNYNLMEELRGCKRAVSKALSSAPNEVLLVLDGTTGLNMLAQAREFNQVIGVTGFILTKLDGTA----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AK9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -31954 for 1077 contacts (-29.7/contact) +
2D Compatibility (PS) -14155 + (NN) 4183 + (LL) 22624
1D Compatibility (HY) -7200 + (ID) 2200
Total energy: -28702.0 ( -26.65 by residue)
QMean score : 0.279
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