Entry: NAFlex_Prot-RNA-T1
Nucleic Acid Data:
| Sequence | GGACAAGAUGCCUUAUGUGGACU |
| Rev. Sequence | UCACCACAUAAGGCAUCUUGUCC |
| Type | RNA |
| SubType | A |
| Chains | single hairpin |
| Pdb | - |
| Ligands | No |
| Keywords | RNA-A Single Stranded Naked TIP3P AddedSalt |
MD Simulation >> (Click to expand/shrink)
| Simulation Metadata | |
|---|---|
| Force Field | parmBSC1 |
| Simulation Date | 1649376000000 |
| Simulated Time | 450 |
| Time Step | 1ps |
| Parts | Protein-RNA |
| Temperature | 300K |
| Water | TIP3P |
| Additional Solvent | No |
| Counter Ions | KCl |
| Ionic Concentration | 0.15M |
| Additional Ions | No |
| Additional Molecules | No |
| Ions Parameters | Dang |
Unified Molecular Modeling (UMM) Metadata
(Click to see full UMM)
(Click to see full UMM)
| Simulation Metadata (UMM) | |
|---|---|
| AdditionalIons | No |
| AdditionalMolecules | No |
| AdditionalSolvent | No |
| Author | F.B. |
| Chains | single hairpin |
| Comments | - |
| CounterIons | KCl |
| Format | mdcrd |
| FrameStep | 1ps |
| Frames | 450000 |
| IonicConcentration | 0.15M |
| IonsParameters | Dang |
| Ligands | No |
| NucType | RNA |
| PDB | NONE |
| Parts | Protein-RNA |
| RMSd_avg | 3.434 |
| RMSd_stdev | 0.770 |
| Rgyr_avg | 20.249 |
| Rgyr_stdev | 0.643 |
| SASA_avg | 3936.792 |
| SASA_stdev | 255.249 |
| SubType | A |
| Temperature | 300K |
| Topology | md.imaged.rot.dry.pdb |
| Trajectory | md.imaged.rot.5000.trj |
| Water | TIP3P |
| _id | NAFlex_Prot-RNA-T1 |
| dataset | Array |
| date | 1649376000000 |
| description | RNA-A Single Stranded Naked TIP3P AddedSalt |
| forceField | parmBSC0+OL3;amber14sb |
| ionsModel | - |
| moleculeType | Rna |
| rev_sequence | UCACCACAUAAGGCAUCUUGUCC |
| saltConcentration | - |
| sequence | GGACAAGAUGCCUUAUGUGGACU |
| soluteAtoms | 1467 |
| soluteCharge | 1467 |
| soluteResidues | 46 |
| solventAtoms | - |
| solventResidues | - |
| time | 450 |
| totalAtoms | 1467 |
| totalCharge | 1467 |
| totalIons | - |
| totalResidues | 46 |
| Quality Control | |
|---|---|
| RMSd | 3.434 (0.770) Å  |
| Rgyr | 20.249 (0.643) Å  |
| SASA | 3936.792 (255.249) Ų  |
| RMSf |  |