Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VKKNLEQIYAIEFTMGLRYRPMQIRHNIKLIFLLLLFVTWLQGDFMNRLPGNLDITKVDMPLVLLALLCYIILYPQKMTIRFQNLQYLLYICCFQFLVFMVIRYFYSNLIYGIQNMVSLT----AQTLVASYVFLLVLWILALIFFYFHFRKKLRNGDYRKDSELQKKRSNLGLKLSKGSYILI--GAFFVFILSSQIVGGIMVDIMIISIEIVGIALCSMGIVIFPEQLFTAYCKFKFKEFHIEE
1A1R Chain:B ((12-190))
---------------PITAYAQQTRG------LLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCI--------------NGVCWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRR---GD--SRGSLLSPRPISYLKGSSGGPLLCPTGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMR---------------------------
General information:
TITO was launched using:
RESULT:
Template:
1A1R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -205010 for 1353 contacts (-151.5/contact) +
2D Compatibility (PS) -17704 + (NN) 8965 + (LL) 7056
1D Compatibility (HY) -400 + (ID) 1500
Total energy: -208593.0 ( -154.17 by residue)
QMean score : 0.123
(partial model without unconserved sides chains):
PDB file :
Tito_1A1R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1A1R-query.scw
PDB file :
Tito_Scwrl_1A1R.pdb
: