Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDYAPHTAENVVQNANKLIDVFRKNNGFIAFVR-VNFYDGKDV-----LQPNAMISLPPKEGDDYSRFHHLLDKRDDDFVIDKRHFSAFVGTDLDLQLRRRGIDTIVLGGVATHIGVDTTARDAYQLNYNQFFVTDMMSAQNETLHQFPIDNVFPLMGQTITTNDFLNILN
3IRV Chain:A ((42-178))
--YVKSTA-DIVQPIQKLLQAARAAQVMVIYLRHIVRGDGSDTGRMRDLYPNVDQILARHDPD--VEVIEALAPQSDDVIVDKLFYSGFHNTDLDTVLRARDVDTIIVCGTVTNVCCETTIRDGVHREYKVIALSDANAAMD-----------------------------
General information:
TITO was launched using:
RESULT:
Template:
3IRV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -49972 for 879 contacts (-56.9/contact) +
2D Compatibility (PS) -14228 + (NN) -8635 + (LL) 2036
1D Compatibility (HY) -6400 + (ID) 2150
Total energy: -79349.0 ( -90.27 by residue)
QMean score : 0.396
(partial model without unconserved sides chains):
PDB file :
Tito_3IRV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IRV-query.scw
PDB file :
Tito_Scwrl_3IRV.pdb
: