Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRVDPAVETSRVIPVVKELAAQ-GITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG
1TX2 Chain:A ((42-293))
-------IMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGES----FAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRD--------NMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLD------LPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIG--------
General information:
TITO was launched using:
RESULT:
Template:
1TX2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140591 for 2110 contacts (-66.6/contact) +
2D Compatibility (PS) -27900 + (NN) -20859 + (LL) 844
1D Compatibility (HY) -21600 + (ID) 5150
Total energy: -215256.0 ( -102.02 by residue)
QMean score : 0.509
(partial model without unconserved sides chains):
PDB file :
Tito_1TX2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1TX2-query.scw
PDB file :
Tito_Scwrl_1TX2.pdb
: