Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQHTIDQTQVIHTKPSALSYKEKTLVMGILNVTPDSFSDGGKYDSLDKALLHAKEMIDDGAHIIDIGGESTRPGAECVSEDEEMSRVIPVIERITKELGVPISVDTYKASVADEAVKAGASIINDIWGAKHDPKMASVAAEHNVPIVLMHNRPERNYNDLLPDMLSDLMESVKIAVEAGVDEKNIILDPGIGFAKTYHDNLAVMNKLEIFSGLGYPVLLATSRKRFIGRVLDLPPEERAEGTGATVCLGIQKGCDIVRVHDVKQIARMAKMMDAMLNKGGVHHG
3H2E Chain:B ((34-294))
------------------LNLNEKTLIMGILNVT----SDGGSYNEVDAAVRHAKEMRDEGAHIIDIGG---------VSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGK------
General information:
TITO was launched using:
RESULT:
Template:
3H2E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164438 for 2139 contacts (-76.9/contact) +
2D Compatibility (PS) -27905 + (NN) -19854 + (LL) 1392
1D Compatibility (HY) -31200 + (ID) 8300
Total energy: -250305.0 ( -117.02 by residue)
QMean score : 0.605
(partial model without unconserved sides chains):
PDB file :
Tito_3H2E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H2E-query.scw
PDB file :
Tito_Scwrl_3H2E.pdb
: