Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKVYVEGMEFYGYHGVFTEENKLGQRFKVDLTAELDLSKAGQTDDLEQTINYAELYHVCKDIVEGEPVKLVETLAERIAGTVLGKFQPVQQCTVKVIKPDPPIPGHYKSVAIEITRKKS
1NBU Chain:E ((3-119))
-DRIELRGLTVHGRHGVYDHERVAGQRFVIDVTVWIDLAEAANSDDLADTYDYVRLASRAAEIVAGPPRKLIETVGAEIADHVMDD-QRVHAVEVAVHKPQAPIPQTFDDVAVVIRRSR-
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) -59445 for 831 contacts (-71.5/contact) +
2D Compatibility (PS) -12559 + (NN) -7351 + (LL) 312
1D Compatibility (HY) -9200 + (ID) 2300
Total energy: -90543.0 ( -108.96 by residue)
QMean score : 0.478
(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
: