Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKFLFKQKFCESLPKSFSKTLLALSLGLILLGVFIPFPKVPKHQSVPLALHFTEHYARFIPTILSVAIPLIQRDAVGLFQVANASIATTFLTHATKRALNHVTINDQRLGERPYGGNFNMPSGHSSMVGLAVAFLMRRYSVKKYLWLLPLIPLTMLARIYLDMHTIGAVLAGLGTGMLCVGLFTSPKNLN
2HRA Chain:A ((19-198))
MPSTLTIN--GKAPIVAYAELIAARIVNALAPNSIAIKLVDDKKAPAAKLDDATEDVFNKITSKFAAIFDNGDKEQVAKWVNLAQK---ELVIKNFAKLSQSLETLDSQLNLRTFILG----GLKYSAADVACWGALRSNGMCGSIIKNK--VDVNVSRWYTLLEMDPIFGEAHDFLSKSLLELKKSANVG
General information:
TITO was launched using:
RESULT:
Template:
2HRA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108489 for 1417 contacts (-76.6/contact) +
2D Compatibility (PS) -18729 + (NN) -2745 + (LL) 1096
1D Compatibility (HY) 4800 + (ID) 850
Total energy: -124917.0 ( -88.16 by residue)
QMean score : 0.236
(partial model without unconserved sides chains):
PDB file :
Tito_2HRA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HRA-query.scw
PDB file :
Tito_Scwrl_2HRA.pdb
: