Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRVDPAVETSRVIPVVKELAAQ-GITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG
3TYB Chain:B ((42-293))
-------IMGILNVTPD----GGSYNEVDAAVRHAKEMRDEGAHIIDIGGES--------SVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRD--------NMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLD------LPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIG--------
General information:
TITO was launched using:
RESULT:
Template:
3TYB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141705 for 1981 contacts (-71.5/contact) +
2D Compatibility (PS) -27152 + (NN) -21697 + (LL) 1332
1D Compatibility (HY) -20800 + (ID) 4900
Total energy: -214922.0 ( -108.49 by residue)
QMean score : 0.510
(partial model without unconserved sides chains):
PDB file :
Tito_3TYB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TYB-query.scw
PDB file :
Tito_Scwrl_3TYB.pdb
: