Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRVDPAVETSRVIPVVKELAAQ-GITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG
3H21 Chain:A ((42-293))
-------IMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGG----------SVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRD--------NMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLD------LPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIG--------
General information:
TITO was launched using:
RESULT:
Template:
3H21.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -148658 for 2073 contacts (-71.7/contact) +
2D Compatibility (PS) -27642 + (NN) -22009 + (LL) 1408
1D Compatibility (HY) -21200 + (ID) 5000
Total energy: -223101.0 ( -107.62 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_3H21.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H21-query.scw
PDB file :
Tito_Scwrl_3H21.pdb
: