Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNGFIAFMEKYFIPYAAKIGGQRHLVAIRDGFITTMPLMILGSFAVLINNFPIPAYQKFMNNLFGEGTWQAFGGNVWNGTFAILALLIAFTVAYNLAKSYDKDPLSSAVVSVATFFTIGAIAPGADGIANTGGLGSTGLFLALIIAILSTEIFTRLSGSPKLIINMPDGVPPAVSRSFAALFPAMITVSIFGLITAFFQAAGVTNLVISFYELVQEPFMGLANSLPAALLLAFVSAFLWFFGLHGANIIDPFMQTINIPAIEANVKALEAGKELPYIVNKPFFDSFVNLGGTGATIGLIIAIFIVARKHKAYMTVSKLSAAPGIFNINEPMMFGLPIVLNPIMFIPYILAPLVLVTVAYFATAIGWVPACTIVTPWTTPPIIGGALATQSIAGGVLAAVNLG---------LSILIFLPFAKIAQIQELRREKEALAAEGVTAE |
4BWZ Chain:A ((3-386)) | --GAEHLLEIFYLLLAAQVCAFIFK---RLNQPVVIGEVLAGVLV-------GPALLGLVHE-----------GEILEFLAELGAVFLLFMVGLE-TRLKDILAVGKEAFLVAVLGVALPFLGGYLYGLEIGFETLPALFLGTALVATSVGITARVLQELGVL-----------SRPYSRI---ILGAAVIDDVLGLIVLACVNGVAETGQVEVGAITRLIVLSVVFVGLAVFLSTLI------------ARLPLERLPVGSPLGFALALGVGMAALAASI---------GLAPIVGAFLGGMLLSEVREKYRLEEPIFAIESFLAPIFFAMVGVRLELSALASPVVLVAGTVVTVIAILGKVLGGFLGA-LTQGVRSALTVGCGMAPRGEVGLIVAALGLKAGAVNEEEYAIVLFMVVFTTLFAPFALKPLIAWTERERAAKE |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BWZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -329624 for 3426 contacts (-96.2/contact) +
2D Compatibility (PS) -38386 + (NN) -1822 + (LL) 3228
1D Compatibility (HY) -17200 + (ID) 2900
Total energy: -386704.0 ( -112.87 by residue)
QMean score : 0.282
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