Entry: NAFlex_apsAAT


Nucleic Sequence:


Sequence 1:AAAAAAAAAA
Sequence 2:TTTTTTTTTT
Sequence 3:AAAAAAAAAA
Sequence 4:AAAAAAAAAA
TypeDNA
SubTypeAnti parallel triplex AAT
Chainstriplex
Pdb-
Ligandsno


Force FieldparmBSC1
Simulated Time240 ns
Time Step1ps
Partsions + DNA
Temperature300K
Water ModelTIP3P
Additional SolventNo
Counter IonsNa+
Ionic ConcentrationElectroneutrality
Additional IonsNo
Additional Moleculesno
Ions ParametersDang
RMSd13.070 (6.939) Å    
RMSf
Unified Molecular Modeling (UMM) Metadata
(Click to see full UMM)
AdditionalIonsNo
AdditionalMoleculesno
AdditionalSolventNo
AuthorA.P.
Chainstriplex
Comments/orozco/scratch/parmBSC1/Alberto2/apsaat10
CounterIonsNa+
Formatmdcrd
FrameStep1ps
Frames240000
IonicConcentrationElectroneutrality
IonsParametersDang
Ligandsno
NucTypeDNA
PDBno
Partsions + DNA
RMSd_avg13.070
RMSd_stdev6.939
Rgyr_avg16.109
Rgyr_stdev2.796
SASA_avg5720.014
SASA_stdev599.453
SubTypeAnti parallel triplex AAT
Temperature300K
Topologyapsaat10.dry.top
Trajectoryapsaat10.trj.gz
WaterTIP3P
_idNAFlex_apsAAT
authorsIvan Ivani, Pablo D. Dans, Agnès Noy, Alberto Pérez, Ignacio Faustino, Adam Hospital, Jürgen Walther, Pau Andrio, Ramon Goñi, Alexandra Balaceanu, Guillem Portella, Federica Battistini, Josep Lluís Gelpí, Carlos González, Michele Vendruscolo, Charles A. Laughton, Sarah A. Harris, David A. Case and Modesto Orozco
boxAngle109.471219
boxX61.9724552
boxY61.9724552
boxZ61.9724552
datasetArray
date0.00000000 1430265600
descriptionDNA Triplex Naked ParmBSC1 TIP3P Electroneutral
forceFieldparmBSC1
ionsModel-
moleculeTypeDna
rev-sequence-
rev_sequenceAAAAAAAAAA
saltConcentration-
sequenceAAAAAAAAAA | TTTTTTTTTT | AAAAAAAAAA | AAAAAAAAAA
sequenceMultiArray
soluteAtoms957
soluteCharge-27
soluteResidues30
solventAtoms-
solventResidues-
time240
totalAtoms957
totalCharge-27
totalIons-
totalResidues30


Selection:
MDAnalysis Atom Selection Syntax
e.g. resid 2:11 or resid 13:20
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Analysis

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