Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKFENVTKSFKDGNRNIEAVKDTNFEINKGDIIALVGPSGSGKSTFLTMAGALQTPTSGHILINNQDITTMKQKALAKVRMSEIGFILQATNLVPFLTVKQQFTLLKKKNKNVMSNEDYQQLMSQLGLTSLLNKLPS-----------EISGGQKQRVAIAKALYTNPSIILADEPTAALDTENAIEVIKILRDQAKKRKKACIIVTHDERLKAYCDRSYHMKDGVLNLENETVE
3NH9 Chain:A ((54-266))
-IEFENVHFSYADGR---ETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASL----RSHIGVVPQDTVLFND-TIADNI----RYGRVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANR--TTIVVAHRLSTVVNADQILVIKDGCI--------
General information:
TITO was launched using:
RESULT:
Template:
3NH9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91759 for 1570 contacts (-58.4/contact) +
2D Compatibility (PS) -21721 + (NN) -5888 + (LL) 2276
1D Compatibility (HY) -12000 + (ID) 3650
Total energy: -132742.0 ( -84.55 by residue)
QMean score : 0.561
(partial model without unconserved sides chains):
PDB file :
Tito_3NH9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NH9-query.scw
PDB file :
Tito_Scwrl_3NH9.pdb
: