Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNGFIAFMEKYFIPYAAKIGGQRHLVAIRDGFITTMPLMILGSFAVLINNFPIPAYQKFMNNLFGEGTWQAFGGNVWNGTFAILALLIAFTVAYNLAKSYDKDPLSSAVVSVATFFTIGAIAPGADGIANTGGLGSTGLFLALIIAILSTEIFTRLSGSPKLIINMPDGVPPAVSRSFAALFPAMITVSIFGLITAFFQAAGVTNLVISFYELVQEPFMGLANSLPAALLLAFVSAFLWFFGLHGANIIDPFMQTINIPAIEANVKALEAGKELPYIVNKPFFDSFVNLGGTGATIGLIIAIFIVARKHKAYMTVSKLSAAPGIFNINEPMMFGLPIVLNPIMFIPYILAPLVLVTVAYFATAIGWVPACTIVTPWTTPPIIGGALATQSIAGGVLAAVNLGLSILIFLPFAKIAQIQELRREKEALAAEGVTAE |
3KJ1 Chain:B ((1-22)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPEIWAAQELRRIGDEFNAYYR--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KJ1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 2233 for 81 contacts (27.6/contact) +
2D Compatibility (PS) -2763 + (NN) -2675 + (LL) 31080
1D Compatibility (HY) 0 + (ID) 350
Total energy: 27525.0 ( 339.81 by residue)
QMean score : 0.694
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