Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRVDPAVETSRVIPVVKELAAQ-GITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG
4NIL Chain:B ((42-293))
-------IMGILNVTP---SDGGSYNEVDAAVRHAKEMRDEGAHIIDIGG-------AKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRD--------NMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLD------LPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIG--------
General information:
TITO was launched using:
RESULT:
Template:
4NIL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -160740 for 2045 contacts (-78.6/contact) +
2D Compatibility (PS) -27280 + (NN) -20541 + (LL) 1092
1D Compatibility (HY) -21200 + (ID) 4900
Total energy: -233569.0 ( -114.21 by residue)
QMean score : 0.558
(partial model without unconserved sides chains):
PDB file :
Tito_4NIL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NIL-query.scw
PDB file :
Tito_Scwrl_4NIL.pdb
: