Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRVDPAVETSRVIPVVKELAAQ-GITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG
3H2E Chain:B ((42-293))
-------IMGILNVT----SDGGSYNEVDAAVRHAKEMRDEGAHIIDIGG---------VSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRD--------NMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLD------LPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIG--------
General information:
TITO was launched using:
RESULT:
Template:
3H2E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -154858 for 2027 contacts (-76.4/contact) +
2D Compatibility (PS) -27289 + (NN) -21878 + (LL) 1168
1D Compatibility (HY) -21200 + (ID) 4900
Total energy: -228957.0 ( -112.95 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_3H2E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H2E-query.scw
PDB file :
Tito_Scwrl_3H2E.pdb
: