Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQHTIDQTQVIHTKPSALSYKEKTLVMGILNVTPDSFSDGGKYDSLDKALLHAKEMIDDGAHIIDIGGESTRPGAECVSEDEEMSRVIPVIERITKELGVPISVDTYKASVADEAVKAGASIINDIWGAKHDPKMASVAAEHNVPIVLMHNRPERNYNDLLPDMLSDLMESVKIAVEAGVDEKNIILDPGIGFAKTYHDNLAVMNKLEIFSGLGYPVLLATSRKRFIGRVLDLPPEERAEGTGATVCLGIQKGCDIVRVHDVKQIARMAKMMDAMLNKGGVHHG
3TYB Chain:B ((34-294))
------------------LNLNEKTLIMGILNVTPD----GGSYNEVDAAVRHAKEMRDEGAHIIDIGGES--------SVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGK------
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) -154560 for 2100 contacts (-73.6/contact) +
2D Compatibility (PS) -27781 + (NN) -18330 + (LL) 1620
1D Compatibility (HY) -30800 + (ID) 8350
Total energy: -238201.0 ( -113.43 by residue)
QMean score : 0.621
(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
: