Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNNLKLSEEIKRAINELGYTEATPVQKAVIPVALTGEDIVAKSQTGSGKTAAFAIPIAEQVEWEENKPQALIIVPTRELAMQVKTECTNIGRFKRVKAAAIYGQSPFAKQKLELSQKNHIVVGTPGRLLDHIEKGSLNVDKVAHLVLDEVDEMLSMGFIDQVEDILSRLPKQRQNLFFSATMPEEMQDLIKRYQDNPMVI-----EMASEKTNPIFHVEMQTDNKEKTLKDVLITENPDSAIIFCNTKNQVDELTDLL---DVKASKIHGGLRQEDRFRAMDDFKSGKSRFLIATDVAGRGIDVDNVSLVINYDLPIEKENYVHRIGRTGRAGKSGKAISFVKTNENPLLRDIEEMLDVTIEKKRKPTVIEVKVNEDAFRKKQQKRPTIKKARGEKLNKNIMKLYFNGGKKKKIRAVDFVGTISKLEGITAEDIGIITIEDHVSFVEILNGKGPAVLEMMRSRKVKGRRLKVNEARKR |
2HYI Chain:C ((40-402)) | FDTMGLREDLLRGIYAYGFEKPSAIQQRAIKQIIKGRDVIAQSQSGTGKTATFSISVLQCLDIQVRETQALILAPTRELAVQIQKGLLALGDYMNVQCHACIGGTNVGEDIRKLDYGQHVVAGTPGRVFDMIRRRSLRTRAIKMLVLDEADEMLNKGFKEQIYDVYRYLPPATQVVLISATLPHEILEMTNKFMTDPIRILVKRDELTLEGIKQFFVAVEREEWKFDTLCDLYDTLTITQAVIFCNTKRKVDWLTEKMREANFTVSSMHGDMPQKERESIMKEFRSGASRVLISTDVWARGLDVPQVSLIINYDLPNNRELYIHRIGRSGRYGRKGVAINFVKNDDIRILRDIEQYYSTQIDE------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HYI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168037 for 3099 contacts (-54.2/contact) +
2D Compatibility (PS) -38701 + (NN) -12846 + (LL) 8416
1D Compatibility (HY) -32400 + (ID) 6950
Total energy: -250518.0 ( -80.84 by residue)
QMean score : 0.453
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