Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQHTIDQTQVIHTKPSALSYKEKTLVMGILNVTPDSFSDGGKYDSLDKALLHAKEMIDDGAHIIDIGGESTRPGAECVSEDEEMSRVIPVIERITKELGVPISVDTYKASVADEAVKAGASIINDIWGAKHDPKMASVAAEHNVPIVLMHNRPERNYNDLLPDMLSDLMESVKIAVEAGVDEKNIILDPGIGFAKTYHDNLAVMNKLEIFSGLGYPVLLATSRKRFIGRVLDLPPEERAEGTGATVCLGIQKGCDIVRVHDVKQIARMAKMMDAMLNKGGVHHG
4D8A Chain:B ((34-294))
------------------LNLNEKTLIMGILN----------SYNEVDAAVRHAKEMRDEGAHIIDIG-----------SVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGK------
General information:
TITO was launched using:
RESULT:
Template:
4D8A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162499 for 2089 contacts (-77.8/contact) +
2D Compatibility (PS) -27025 + (NN) -18336 + (LL) 1208
1D Compatibility (HY) -30400 + (ID) 7900
Total energy: -244952.0 ( -117.26 by residue)
QMean score : 0.623
(partial model without unconserved sides chains):
PDB file :
Tito_4D8A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4D8A-query.scw
PDB file :
Tito_Scwrl_4D8A.pdb
: