Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRVDPAVETSRVIPVVKELAAQ-GITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG
3H2N Chain:B ((42-293))
-------IMGILNVTP---SDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGEST------VSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRD--------NMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLD------LPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIG--------
General information:
TITO was launched using:
RESULT:
Template:
3H2N.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144416 for 2071 contacts (-69.7/contact) +
2D Compatibility (PS) -27438 + (NN) -21732 + (LL) 1196
1D Compatibility (HY) -21200 + (ID) 5000
Total energy: -218590.0 ( -105.55 by residue)
QMean score : 0.512
(partial model without unconserved sides chains):
PDB file :
Tito_3H2N.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H2N-query.scw
PDB file :
Tito_Scwrl_3H2N.pdb
: