Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKFENVTKSFKDGNRNIEAVKDTNFEINKGDIIALVGPSGSGKSTFLTMAGALQTPTSGHILINNQDITTMKQKALAKVRMSEIGFILQATNLVPFLTVKQQFTL---LKKKNKNVMSNEDYQQLMSQLGLTSLLNKLPSEISGGQKQRVAIAKALYTNPSIILADEPTAALDTENAIEVIKILRDQAKKRKKACIIVTHD-ERLKAYCDRSYHMKDGVLNLENETVE
3DHW Chain:C ((1-225))
MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKAR-RQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRR-VTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDEATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGEL-IEQDTV-
General information:
TITO was launched using:
RESULT:
Template:
3DHW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113889 for 1777 contacts (-64.1/contact) +
2D Compatibility (PS) -23570 + (NN) -4535 + (LL) 156
1D Compatibility (HY) -21200 + (ID) 4050
Total energy: -167088.0 ( -94.03 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_3DHW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DHW-query.scw
PDB file :
Tito_Scwrl_3DHW.pdb
: