Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQHTIDQTQVIHTKPSALSYKEKTLVMGILNVTPDSFSDGGKYDSLDKALLHAKEMIDDGAHIIDIGGESTRPGAECVSEDEEMSRVIPVIERITKELGVPISVDTYKASVADEAVKAGASIINDIWGAKHDPKMASVAAEHNVPIVLMHNRPERNYNDLLPDMLSDLMESVKIAVEAGVDEKNIILDPGIGFAKTYHDNLAVMNKLEIFSGLGYPVLLATSRKRFIGRVLDLPPEERAEGTGATVCLGIQKGCDIVRVHDVKQIARMAKMMDAMLNKGGVHHG
3H2O Chain:A ((34-294))
------------------LNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIG---------KVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGK------
General information:
TITO was launched using:
RESULT:
Template:
3H2O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153252 for 2129 contacts (-72.0/contact) +
2D Compatibility (PS) -27970 + (NN) -16015 + (LL) 1276
1D Compatibility (HY) -31200 + (ID) 8450
Total energy: -235611.0 ( -110.67 by residue)
QMean score : 0.558
(partial model without unconserved sides chains):
PDB file :
Tito_3H2O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H2O-query.scw
PDB file :
Tito_Scwrl_3H2O.pdb
: