Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRSQKVILTNMCLIEDNKGRIVMQIRDPKRYSWSG-AALPGGHIEEGESLYDALVREVHEETGLTISNPKLVGMKHWYTDEG-IRYLVFLYKTYDFSGEL--Q-SSDEGDVVWIERSQLDKIEL---AYDMLNLLRVFDEDDISEMFYSKRLEDGFIRKFY
2B0V Chain:A ((6-141))
-----KPNVTVAAVIEQ-DDKYLLVEEIPR--GTAIKLNQPAGHLEPGESIIQACSREVLEETGHSFLPEVLTGIYHWTCASNGTTYLRFTFSGQVVSFDPDRKLDTGIVRAAWFSIDEIRAKQAMHRTPLVMQCIEDYHAGKRYPLDILQYYDGS------
General information:
TITO was launched using:
RESULT:
Template:
2B0V.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60357 for 899 contacts (-67.1/contact) +
2D Compatibility (PS) -14008 + (NN) -9202 + (LL) 964
1D Compatibility (HY) -2000 + (ID) 1450
Total energy: -86053.0 ( -95.72 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_2B0V.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2B0V-query.scw
PDB file :
Tito_Scwrl_2B0V.pdb
: