Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNVMLITGASRGIGAATALLAAERGYAVVLNYLRNREAAEALRQRIERQGGEALAVAADVAEEGDVERLFASIDERFGRLDVLVNNAGMLEAQTRLENIDAARLHRVFATNVTGSFLCAREAVKRLSTRHGGRGGSIVNVSSMASRLGSPNEYIDYAAAKGAIDSMTIGLAREVAAEGIRVNAVRPGLIDTEIHASGGEPGRIERLKGGIPLGRGGTAEEVARAILWLASDEASYSTGTFIDVSGGR
4JIG Chain:A ((15-261))
-RKAVLITGASRGIGRATAVLAAERGWDVGINYARDAAAAELTAQAVRDAGGRACIVAGDVANEADVVAMFDTVAAAFGRLDALVNNAGIVAPSMPLADMPVDRLRRMFDTNVLGAYLCAREAARRLSTDRGGRGGAIVNVSSIASRLGSPNEYVDYAGSKGAVDSLTIGLAKELGPHGVRVNAVRPGLIET-------------RLGAQTPLGRAGEAQEVAEAIVWLLGDTASYTTGALLDVGGGR
General information:
TITO was launched using:
RESULT:
Template:
4JIG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126633 for 2093 contacts (-60.5/contact) +
2D Compatibility (PS) -25643 + (NN) -10469 + (LL) 532
1D Compatibility (HY) -22400 + (ID) 7150
Total energy: -191763.0 ( -91.62 by residue)
QMean score : 0.604
(partial model without unconserved sides chains):
PDB file :
Tito_4JIG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JIG-query.scw
PDB file :
Tito_Scwrl_4JIG.pdb
: