Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRVDPAVETSRVIPVVKELAAQ-GITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG
3H2O Chain:A ((42-293))
-------IMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIG---------KVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRD--------NMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLD------LPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIG--------
General information:
TITO was launched using:
RESULT:
Template:
3H2O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147457 for 2016 contacts (-73.1/contact) +
2D Compatibility (PS) -26911 + (NN) -15544 + (LL) 944
1D Compatibility (HY) -21600 + (ID) 5000
Total energy: -215568.0 ( -106.93 by residue)
QMean score : 0.449
(partial model without unconserved sides chains):
PDB file :
Tito_3H2O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H2O-query.scw
PDB file :
Tito_Scwrl_3H2O.pdb
: