Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKFENVTKSFKDGNRNIEAVKDTNFEINKGDIIALVGPSGSGKSTFLTMAGALQTPTSGHILINNQDITTMKQKALAKVRMSEIGFILQATNLVPFLTVKQQFTLLKKKNKNVMSNEDYQQLMSQLGLTSLLNKLPS-----------EISGGQKQRVAIAKALYTNPSIILADEPTAALDTENAIEVIKILRDQAKKRKKACIIVTHDERLKAYCDRSYHMKDGVLNLENETVE
3NHB Chain:A ((54-266))
-IEFENVHFSYAD-R---ETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASL----RSHIGVVPQDTVLFND-TIADNI----RYGRVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANR--TTIVVAHRLSTVVNADQILVIKDGCI--------
General information:
TITO was launched using:
RESULT:
Template:
3NHB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100454 for 1572 contacts (-63.9/contact) +
2D Compatibility (PS) -21506 + (NN) -6697 + (LL) 2104
1D Compatibility (HY) -12000 + (ID) 3600
Total energy: -142153.0 ( -90.43 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_3NHB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NHB-query.scw
PDB file :
Tito_Scwrl_3NHB.pdb
: