Sequence | AATCCCGTTTCCAACGAAGGC |
Rev. Sequence | GCCTTCGTTGGAAACGGGATT |
Type | DNA |
SubType | B |
Chains | duplex |
Pdb | 1HLV |
Ligands | No |
AdditionalIons | No |
AdditionalMolecules | No |
AdditionalSolvent | No |
Author | F.B. |
Chains | duplex |
Comments | - |
CounterIons | K+Cl- |
Format | netcdf |
FrameStep | 1 ps |
Frames | 1000000 |
IonicConcentration | 0.15M |
IonsParameters | Dang |
Ligands | No |
NucType | DNA |
PDB | 1hlv |
Parts | DNA+protein+ions |
RMSd_avg | 2.129 |
RMSd_stdev | 0.507 |
Rgyr_avg | 20.924 |
Rgyr_stdev | 0.575 |
SASA_avg | 7432.181 |
SASA_stdev | 187.874 |
SubType | B |
Temperature | 298K |
Topology | f1hlv_nowat.prmtop |
Trajectory | f1hlv_nowat.nc |
Water | SPCE |
_id | NAFlex_1hlv |
authors | Ivan 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 |
boxAngle | 109.471219 |
boxX | 86.2381964 |
boxY | 86.2381964 |
boxZ | 86.2381964 |
dataset | Array |
date | 0.00000000 1438905600 |
description | DNA-B Duplex Protein-Nuc ParmBSC1 SPC/E AddedSalt |
forceField | parmBSC1 |
ionsModel | - |
moleculeType | Dna |
rev_sequence | GCCTTCGTTGGAAACGGGATT |
saltConcentration | - |
sequence | AATCCCGTTTCCAACGAAGGC |
soluteAtoms | 1331 |
soluteCharge | -40 |
soluteResidues | 42 |
solventAtoms | - |
solventResidues | - |
time | 1,000 |
totalAtoms | 1331 |
totalCharge | -40 |
totalIons | - |
totalResidues | 42 |