Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKPCHFAQFDLQPAFLVDLDELGQRYRELVRSVHPDRFADAPEREQRLALERAAQLNEAYQTLKSAPRRALYLLT------LSGHELPLEATVQDPEFLLQQMQLREELEELQDSADLAGVATFKRRLKAAQAELEREFAACWDDAQRREEAERLVRRMQFLDKLAQEVRQLEERLDD
3UO2 Chain:A ((27-172))
-------------PIWTIDQSRLRKEYRQLQAQ---------SEQ--------SSTLNQAYHTLKDPLRRSQYMLKLLRNIDLTQEQTSNEVTTSDPQLLLKVLDIHDELSQMDDE---AGVKLLEKQNKERIQDIEAQLGQCYND-KDYAAAVKLTVELKYWYNLAKAFK--------
General information:
TITO was launched using:
RESULT:
Template:
3UO2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -27189 for 815 contacts (-33.4/contact) +
2D Compatibility (PS) -15401 + (NN) -14428 + (LL) 3312
1D Compatibility (HY) -8800 + (ID) 1950
Total energy: -64456.0 ( -79.09 by residue)
QMean score : 0.683
(partial model without unconserved sides chains):
PDB file :
Tito_3UO2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3UO2-query.scw
PDB file :
Tito_Scwrl_3UO2.pdb
: