Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKADKALLIVDMINNFEFDMGETLAKKTEKIVPHILSLKEHARQNEWPIIYINDHYGLWQADI---K-NIQ---QEC-TNERSKDIITKIAPVDADYFLIKPKHSAFYETALHTLLTELQVRHIIITGIAGNICVLFTANDAYMREYSITIPKDCIASNSDE-----------DNEFALTMMENVLFAEITTEEQIIEK
3IRV Chain:A ((18-215))
INPLRTAVIVVDMQKVFCEPTGALYVKSTADIVQPIQKLLQAARAAQVMVIYLRHIVRGDGSDTGRMRDLYPNVDQILARHDPDVEVIEALAPQSDDVIVDKLFYSGFHNTDLDTVLRARDVDTIIVCGTVTNVCCETTIRDGVHREYKVIALSDANAAMDYPDVGFGAVSAADVQRISLTTIAYE-FGEVTTTAEVIR-
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) -132493 for 1479 contacts (-89.6/contact) +
2D Compatibility (PS) -18696 + (NN) -4762 + (LL) 240
1D Compatibility (HY) -10800 + (ID) 2450
Total energy: -168961.0 ( -114.24 by residue)
QMean score : 0.394
(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
: