Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRAVVELLAGARRLVIFTGAGVSAESGIPTFRDALGGLWARYDPAALATPAAFADDPALVWGWYEWRRLKVLGVQPNPAHRAIAALSGRIANTRLVTQNVDDLHERAGSRDVLHLHGSLHAPRCATCAAAYRDALPDSVE-PEEGRRIEPPRCPACGGQ-VRPGVVWFGEALPEAALREAFAAACECDLLLSVGTSGVVQPAARIPGLALEHGASVVHVNPQPVRTRHPREHCLVGPAGEVLPELLRRAFPG
1YC2 Chain:B ((5-243))
IRKAAEILAKSKHAVVFTGAGISAESGIPTFRGE-DGLWRKYDPEEVASISGFKRNPRAFWEFSMEMKDKLFA-EPNPAHYAIAELERMGIVKAVITQNIDMLHQRAGSRRVLELHGSMDKLDCLDCHETY-----DWSEFVEDFNKGEIPRCRKCGSYYVKPRVVLFGEPLPQRTLFEAIEEAKHCDAFMVVGSSLVVYPAAELPYIAKKAGAKMIIVNAEPTMADPIFDVKIIGKAGEVLPKIVEEVKRL
General information:
TITO was launched using:
RESULT:
Template:
1YC2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126806 for 1977 contacts (-64.1/contact) +
2D Compatibility (PS) -25630 + (NN) -17519 + (LL) 572
1D Compatibility (HY) -17600 + (ID) 5300
Total energy: -192283.0 ( -97.26 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_1YC2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YC2-query.scw
PDB file :
Tito_Scwrl_1YC2.pdb
: