Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDNLVCMGIITSPHGIKGAVKVKIFTEKPENISLYGKLISGSKNYDIDSVSVIGENLVIATINGVNSRNEAEFLRNKKLYVERNKLLKLNDENEFYQSDLVNMEIRLENDELYGYIKSIYNFG-SG--DILEISVIS----TKKNIMLPFTKEIFPYVNIKERYITLNMPEFIG
3HTR Chain:A ((14-71))
----------------------------------------------------------------------------------------------LIGSDKVQGTAVYGPDGEKIGSIERVMIEKVSGRVSYAVLSFGGFLGIGDDHYPLPWPALKYNVELGGYQVMVTVDQLERA
General information:
TITO was launched using:
RESULT:
Template:
3HTR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -18164 for 257 contacts (-70.7/contact) +
2D Compatibility (PS) -5612 + (NN) -403 + (LL) 5672
1D Compatibility (HY) -1200 + (ID) 400
Total energy: -20107.0 ( -78.24 by residue)
QMean score : 0.445
(partial model without unconserved sides chains):
PDB file :
Tito_3HTR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HTR-query.scw
PDB file :
Tito_Scwrl_3HTR.pdb
: