Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNGFIAFMEKYFIPYAAKIGGQRHLVAIRDGFITTMPLMILGSFAVLINNFPIPAYQKFMNNLFGEGTWQAFGGNVWNGTFAILALLIAFTVAYNLAKSYDKDPLSSAVVSVATFFTIGAIAPGADGIANTGGLGSTGLFLALIIAILSTEIFTRLSGSPKLIINMPDGVPPAVSRSFAALFPAMITVSIFGLITAFFQAAGVTNLVISFYELVQEPFMGLANSLPAALLLAFVSAFLWFFGLHGANIIDPFMQTINIPAIEANVKALEAGKELPYIVNKPFFDSFVNLGGTGATIGLIIAIFIVARKHKAYMTVSKLSAAPGIFNINEPMMFGLPIVLNPIMFIPYILAPLVLVTVAYFATAIGWVPACTIVTPWTTPPIIGGALATQSIAGGVLAAVNLGLSILIFLPFAKIAQ-IQELRREKEALAAEGVTAE |
3ZPJ Chain:A ((1-356)) | MTTLEEINLLVERGYYEEA--LAKVYEIED---PIEQVQVLTKIVVTIYQHDGP--MEWIPSIMEDAMYIAKKLR-DPANKAVAYSIIASTLAI---MEYEEDAMDFFNRAIDEANEI-----------------ESPIEKGMVLSTLAYHLAIA-------------GYPDNALEIFNIAFDTIIGAET----SYTHKVDGILRIGDLLEKAGD--------TLPSNEAMDFYKMAFDIFDK------------LHVNQRAAIVEKKIELAKTVYDVGLPQIRAALLKGKNHYALAIIKKKYSGVMRLIGELEVALWMKRVNNMEYLDVVDKAFECCESPRF------TDVNVQHIARLLTELGNLRRALKFAK----EIQNIHKRSEALKAIALELVRRKK----FEEVKKIIESIPDPKIREEALNEIGTIE- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3ZPJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -304926 for 2862 contacts (-106.5/contact) +
2D Compatibility (PS) -36823 + (NN) -5272 + (LL) 3540
1D Compatibility (HY) -6000 + (ID) 2550
Total energy: -352031.0 ( -123.00 by residue)
QMean score : 0.329
|
|
|