Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRVDPAVETSRVIPVVKELAAQ-GITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG
3H2A Chain:A ((42-293))
-------IMGILNVTPDSFS--GSYNEVDAAVRHAKEMRDEGAHIIDIGG----------SVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRD--------NMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLD------LPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIG--------
General information:
TITO was launched using:
RESULT:
Template:
3H2A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153550 for 2063 contacts (-74.4/contact) +
2D Compatibility (PS) -27277 + (NN) -22072 + (LL) 1160
1D Compatibility (HY) -21200 + (ID) 4900
Total energy: -227839.0 ( -110.44 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_3H2A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H2A-query.scw
PDB file :
Tito_Scwrl_3H2A.pdb
: