Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRVDPAVETSRVIPVVKELAAQ-GITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG
3TYA Chain:B ((42-293))
-------IMGILNVTPD----GGSYNEVDAAVRHAKEMRDEGAHIIDIGGES--------SVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRD--------NMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLD------LPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIG--------
General information:
TITO was launched using:
RESULT:
Template:
3TYA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143950 for 2003 contacts (-71.9/contact) +
2D Compatibility (PS) -27135 + (NN) -22351 + (LL) 1332
1D Compatibility (HY) -20800 + (ID) 4900
Total energy: -217804.0 ( -108.74 by residue)
QMean score : 0.506
(partial model without unconserved sides chains):
PDB file :
Tito_3TYA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TYA-query.scw
PDB file :
Tito_Scwrl_3TYA.pdb
: