Entry: NAFlex_FOXA3_crystal_rep0


Nucleic Sequence:


SequenceGACTAAGTCAACCACGC
Rev. SequenceGCGTGGTTGACTTAGTC
TypeDNA
SubTypeB
Chainsduplex
Pdb 1VTN
LigandsNo


Force FieldparmBSC1
Simulated Time50 ns
Time Step10 ps
PartsDNA+protein+ions
Temperature300K
Water ModelSPCE
Additional SolventNo
Counter IonsNa+Cl-
Ionic Concentration0.05M
Additional IonsMg2+
Additional MoleculesNo
Ions Parameters-
RMSd1.998 (0.350) Å    
RMSf
Unified Molecular Modeling (UMM) Metadata
(Click to see full UMM)
AdditionalIonsMg2+
AdditionalMoleculesNo
AdditionalSolventNo
AuthorA.M.
Chainsduplex
CommentsN/A
CounterIonsNa+Cl-
Formatxtc
FrameStep10 ps
Frames5000
IonicConcentration0.05M
IonsParameters-
LigandsNo
NucTypeDNA
PDB1vtn
PartsDNA+protein+ions
RMSd_avg1.998
RMSd_stdev0.350
Rgyr_avg17.326
Rgyr_stdev0.267
SASA_avg11588.080
SASA_stdev283.704
SubTypeB
Temperature300K
TopologyFOXA3_rep0_disre_mdprod_step1_nowater.gro
TrajectoryFOXA3_rep0_disre_mdprod_sample.xtc
WaterSPCE
_idNAFlex_FOXA3_crystal_rep0
datasetArray
date0.00000000 1545004800
descriptionDNA-B Duplex Protein-Nuc SPC/E AddedSalt
forceFieldparmBSC1
ionsModel-
moleculeTypeProt
rev_sequenceGCGTGGTTGACTTAGTC
saltConcentration-
sequenceGACTAAGTCAACCACGC
soluteAtoms2762
soluteCharge-
soluteResidues137
solventAtoms-
solventResidues-
time50
totalAtoms2762
totalCharge-
totalIons-
totalResidues137


Selection:
MDAnalysis Atom Selection Syntax
e.g. resid 2:11 or resid 13:20
Frame (start:stop:step)
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Analysis

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