Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDYAPHTAENVVQNANKLIDVFRKNNGFIAFVRVNFYDGKDVLQPNAMISLP-----PKEGDDYSRFHHLLDKRDDDFVIDKRHFSAFVGTDLDLQLRRRGIDTIVLGGVATHIGVDTTARDAYQLNYNQFFVTDMMSAQNET-----------LHQFPIDNVFPLMGQTITTNDFLNILN
3IRV Chain:A ((44-217))
-----KSTADIVQPIQKLLQAARAAQVMVIYLRHIVRGDGSDT-GRMRDLYPNVDQILARHDPDVEVIEALAPQSDDVIVDKLFYSGFHNTDLDTVLRARDVDTIIVCGTVTNVCCETTIRDGVHREYKVIALSDANAAMDYPDVGFGAVSAADVQRISLTTIAYEFGEVTTTAEVIRRI-
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) -78240 for 1143 contacts (-68.5/contact) +
2D Compatibility (PS) -16962 + (NN) -5881 + (LL) 268
1D Compatibility (HY) -6400 + (ID) 1850
Total energy: -109065.0 ( -95.42 by residue)
QMean score : 0.491
(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
: