Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRVDPAVETSRVIPVVKELAAQ-GITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG
3TYA Chain:A ((42-293))
-------IMGILNVTP-----GGSYNEVDAAVRHAKEMRDEGAHIIDIGGEST----AKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRD--------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) -148264 for 2048 contacts (-72.4/contact) +
2D Compatibility (PS) -27329 + (NN) -20735 + (LL) 940
1D Compatibility (HY) -21200 + (ID) 4900
Total energy: -221488.0 ( -108.15 by residue)
QMean score : 0.515
(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
: