Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRNYHVKFLNEKDVELAEAVCAASEDYYLIEQDK-SASKSDALKIITEIPDGKTRFDKFVLAVLDENEKPIGLVDIVSDYP--RKGRWFIGLLLLTPDARHNGLGKVLHQTIKEWASDGGADSLALGVLAENEKGRGFFEHLGYTKEETKQAS--YGGKEQEVSIFTLAIK
3DR6 Chain:A ((3-165))
---AMTIRFADKADCAAITEIYNHAVLHTAAIWNDRTVDTDNRLAWYEARQ---LL-GYPVL-VSEENGVVTGYASFGDWRSFDGFRYTVEHSVYVHPAHQGKGLGRKLLSRLIDEARRCGKHVMVAGIESQNAASIRLHHSLGFTVTAQMPQVGVKFGRWLDLTFMQLQL-
General information:
TITO was launched using:
RESULT:
Template:
3DR6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75964 for 1160 contacts (-65.5/contact) +
2D Compatibility (PS) -17183 + (NN) -5068 + (LL) 528
1D Compatibility (HY) -3600 + (ID) 1150
Total energy: -102437.0 ( -88.31 by residue)
QMean score : 0.611
(partial model without unconserved sides chains):
PDB file :
Tito_3DR6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DR6-query.scw
PDB file :
Tito_Scwrl_3DR6.pdb
: