Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LDKIYLNELVFYGYHGVLKEETKLGQTFRVSLILGLSTKKAGISDSVEDTVSYADVYETVKEIVEGKPFKLIEALAEKIASEVLTGYPLLEEVTVKLIKPNPPIPGHYDSVAVEIERKRSDLNG
1NBU Chain:D ((3-119))
-DRIELRGLTVHGRHGVYAHERVAGQRFVIDVTVWIDLAEAANSDDLADTYDYVRLASRAAEIVAGPPRKLIETVGAEIADHVMDDQ-RVHAVEVAVHKPQAPIPQTFDDVAVVIRRSR-----
General information:
TITO was launched using:
RESULT:
Template:
1NBU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -71237 for 834 contacts (-85.4/contact) +
2D Compatibility (PS) -12858 + (NN) -6955 + (LL) -144
1D Compatibility (HY) -7600 + (ID) 2200
Total energy: -100994.0 ( -121.10 by residue)
QMean score : 0.598
(partial model without unconserved sides chains):
PDB file :
Tito_1NBU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NBU-query.scw
PDB file :
Tito_Scwrl_1NBU.pdb
: