Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRVDPAVETSRVIPVVKELAAQ-GITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG
3H22 Chain:A ((42-293))
-------IMGILNVTPDSF--GGSYNEVDAAVRHAKEMRDEGAHIIDIGG----------SVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRD--------NMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLD------LPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIG--------
General information:
TITO was launched using:
RESULT:
Template:
3H22.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -156032 for 2029 contacts (-76.9/contact) +
2D Compatibility (PS) -27351 + (NN) -22703 + (LL) 1304
1D Compatibility (HY) -21200 + (ID) 4900
Total energy: -230882.0 ( -113.79 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_3H22.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H22-query.scw
PDB file :
Tito_Scwrl_3H22.pdb
: