Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKKIFLLEDDYLLSESIKEFLEHLGYEVFCAFNGKEAHERLSVERFNLLLLDVQVPEMNSLELFKRIKNDFLI--STPVIFITALQDNATLKNAFNLGASDYLKKPFDLDELEARIKRFFNDDPIEIMPNIFYHQHALNVKGKKEILAPKTAQLLEYFLEHKGQIISSQALENNLWEQAIDDSTLRTYIKVLRKLLGKNCIETHKGVGYRFNPL
1PEY Chain:C ((2-119))
MNEKILIVDDQSGIRILLNEVFNKEGYQTFQAANGLQALDIVTKERPDLVLLDMKIPGMDGIEILKRMK---VIDENIRVIIMTAYGELDMIQESKELGALTHFAKPFDIDEIRDAVKKYLPL--------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1PEY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96550 for 902 contacts (-107.0/contact) +
2D Compatibility (PS) -12680 + (NN) -6052 + (LL) 6588
1D Compatibility (HY) -11600 + (ID) 1950
Total energy: -122244.0 ( -135.53 by residue)
QMean score : 0.760
(partial model without unconserved sides chains):
PDB file :
Tito_1PEY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PEY-query.scw
PDB file :
Tito_Scwrl_1PEY.pdb
: