Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRLENRVALVTGAGQGIGRAIAECFAAEGARVLLATRTASRGQAVLEAIRLGGGTAELLAVDLSEYDAARRAVSATLERFGQLDILLHNAAAFPQCALAELDEGTLERTLAVNLKSCFRLTQAALPALRRSVAGRVLVTSSVTGPRTAIPGLSHYAASKAGVNGFIRAAALELAGDGITVNGVEPGLVATPALGSLGDAA--ALAAHIPLGRVGQPLDIAHAMLFLASDEASYITGQTLVVDGGALLPENGGLA
4NBU Chain:B ((8-250))
MSRLQDKVAIITGAANGIGLEAARVFMKEGAKVVIADFNEAAGK---EAVEANPGVV-FIRVDVSDRESVHRLVENVAERFGKIDILINNAGITRDSMLSKMTVDQFQQVINVNLTGVFHCTQAVLPYMAEQGKGKIINTSSVTGTYGNV-GQTNYAAAKAGVIGMTKTWAKELARKGINVNAVAPGFTETAMVAEVPEKVIEKMKAQVPMGRLGKPEDIANAYLFLASHESDYVNGHVLHVDGGIMM-------
General information:
TITO was launched using:
RESULT:
Template:
4NBU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157037 for 2131 contacts (-73.7/contact) +
2D Compatibility (PS) -26598 + (NN) -11126 + (LL) 336
1D Compatibility (HY) -19200 + (ID) 4850
Total energy: -218475.0 ( -102.52 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_4NBU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBU-query.scw
PDB file :
Tito_Scwrl_4NBU.pdb
: