Entry: NAFlex_MuG_TRF1


Nucleic Acid Data:


SequenceTGTTAGGGTTAGGGTTAG
Rev. SequenceCTAACCCTAACCCTAACA
TypeProt-DNA
SubTypeB
Chainsduplex
Pdb1W0T [PDB] [NDB]
LigandsNo
KeywordsDNA-B Duplex Complex ParmBSC0 SPC/E


Simulation Metadata
Force FieldparmBSC1
Simulation Date2016-May-11
Simulated Time40 ns
Time Step1 ps
PartsDNA+ions
Temperature300K
WaterSPCE
Additional SolventNo
Counter IonsNa+
Ionic Concentration0.15M
Additional IonsNo
Additional MoleculesNo
Ions ParametersDang
Unified Molecular Modeling (UMM) Metadata
(Click to see full UMM)
Simulation Metadata (UMM)
AdditionalIonsNo
AdditionalMoleculesNo
AdditionalSolventNo
AuthorM.P.C.L.
Chainsduplex
CommentsA Comprehensive Model for the Recognition of Human Telomeres by TRF1
CounterIonsNa+
Formatmdcrd
FrameStep1 ps
Frames40000
IonicConcentration0.15M
IonsParametersDang
LigandsNo
NucTypeProt-DNA
PDB1W0T
PartsDNA+ions
RMSd_avg2.531
RMSd_stdev0.433
Rgyr_avg19.047
Rgyr_stdev0.396
SASA_avg6630.185
SASA_stdev110.995
SubTypeB
Temperature300K
Topologywtrep1nw.top.gz
Trajectoryrep1nwdt10.trj.gz
WaterSPCE
_idNAFlex_MuG_TRF1
datasetArray
date2016-May-11
descriptionDNA-B Duplex Complex ParmBSC0 SPC/E
forceFieldparmBSC0
ionsModel-
moleculeTypeDna
rev_sequenceCTAACCCTAACCCTAACA
saltConcentration-
sequenceTGTTAGGGTTAGGGTTAG
soluteAtoms1146
soluteCharge-35
soluteResidues36
solventAtoms-
solventResidues-
time40
totalAtoms1146
totalCharge-35
totalIons-
totalResidues36
Quality Control
RMSd2.531 (0.433) Å    
Rgyr19.047 (0.396) Å    
SASA6630.185 (110.995) Ų    
RMSf