Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQIEFKNVSKVYPNGHVGLKNINLNIEKGEFAVIVGLSGAGKSTLLRSVNRLHDITSGEIFIQGKSITKAHGKALLEMRRNIGMIFQHFNLVKRSSVLRNVLSGRVGYHPTWKMVLGLFPKED-KIKAMDALERVNILDKYNQRSDELSGGQQQRISIARALCQESEIILADEPVASLDPLTTKQVMDDLRKINQELGITILINLHFVDLAKEYGTRIIGLRDGEVV--------YDGPASEATDDVFSEIYGRTIKEDEKLGVN
2OLJ Chain:B ((40-263))
-------------------LKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINL-KAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLA--------PMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF-------------
General information:
TITO was launched using:
RESULT:
Template:
2OLJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117887 for 1706 contacts (-69.1/contact) +
2D Compatibility (PS) -23156 + (NN) -8835 + (LL) 2020
1D Compatibility (HY) -20800 + (ID) 4300
Total energy: -172958.0 ( -101.38 by residue)
QMean score : 0.436
(partial model without unconserved sides chains):
PDB file :
Tito_2OLJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OLJ-query.scw
PDB file :
Tito_Scwrl_2OLJ.pdb
: