Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQHTIDQTQVIHTKPSALSYKEKTLVMGILNVTPDSFSDGGKYDSLDKALLHAKEMIDDGAHIIDIGGESTRPGAECVSEDEEMSRVIPVIERITKELGVPISVDTYKASVADEAVKAGASIINDIWGAKHDPKMASVAAEHNVPIVLMHNRPERNYNDLLPDMLSDLMESVKIAVEAGVDEKNIILDPGIGFAKTYHDNLAVMNKLEIFSGLGYPVLLATSRKRFIGRVLDLPPEERAEGTGATVCLGIQKGCDIVRVHDVKQIARMAKMMDAMLNKGGVHHG
1TX2 Chain:B ((34-294))
------------------LNLNEKTLIMGILNVTP---SDGGSYNEVDAAVRHAKEMRDEGAHIIDIGG---------VSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGK------
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) -161089 for 2150 contacts (-74.9/contact) +
2D Compatibility (PS) -28151 + (NN) -20395 + (LL) 1532
1D Compatibility (HY) -31200 + (ID) 8350
Total energy: -247653.0 ( -115.19 by residue)
QMean score : 0.629
(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
: