HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (311K, 38°C, 100 ns) , seed #2 (doi:10.7910/DVN/ASGWPS)

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Part 1: Document Description
Part 2: Study Description
Part 3: Data Files Description
Part 4: Variable Description
Part 5: Other Study-Related Materials
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HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (311K, 38°C, 100 ns) , seed #2

doi:10.7910/DVN/ASGWPS

Harvard Dataverse

2025-03-11

1

PCD, Thermo, 2025, "HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (311K, 38°C, 100 ns) , seed #2", https://doi.org/10.7910/DVN/ASGWPS, Harvard Dataverse, V1, UNF:6:b6gkS/JrfshW+y2nxaPu1w== [fileUNF]

HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (311K, 38°C, 100 ns) , seed #2

doi:10.7910/DVN/ASGWPS

PCD, Thermo (Chonnam National University)

Harvard Dataverse

PCD, Thermo

PCD, Thermo

2025-03-11

https://doi.org/10.7910/DVN/ASGWPS

Computer and Information Science, HIV-1 capsid protein P24 , Human immunodeficiency virus -1,

HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (311K, 38°C, 100 ns) , seed #2

• Number of cases: 10001

• No. of variables per record: 3

• Type of File: text/tab-separated-values

UNF:6:h9jQLVf4qnw3vLjKfTJYng==

• Number of cases: 588

• No. of variables per record: 3

• Type of File: text/tab-separated-values

UNF:6:eBL23UQddh3xjCudNGnyTA==

• Number of cases: 10001

• No. of variables per record: 5

• Type of File: text/tab-separated-values

UNF:6:GDoN8d/6PnLbYXMnQ1lcJQ==

• Number of cases: 10001

• No. of variables per record: 2

• Type of File: text/tab-separated-values

UNF:6:yuaq6Ciq/K7gYuq0sVxPmg==

• Number of cases: 587

• No. of variables per record: 2

• Type of File: text/tab-separated-values

UNF:6:tK7tDnwMvwFhcFg5rMqUjg==

• Number of cases: 10001

• No. of variables per record: 2

• Type of File: text/tab-separated-values

UNF:6:xPZ9A4y5dGjuZBbsLjKLdQ==

• Time (ps) - Time (ps)
• Hydrogen bonds - Hydrogen bonds
• Pairs within 0.35 nm - Pairs within 0.35 nm
• Time (ps) - Time (ps)
• Average (nm\S2\N) - Average (nm\S2\N)
• Standard deviation (nm\S2\N) - Standard deviation (nm\S2\N)
• Time (ps) - Time (ps)
• Rg - Rg
• Rg\sX\N - Rg\sX\N
• Rg\sY\N - Rg\sY\N
• Rg\sZ\N - Rg\sZ\N
• Time (ps) - Time (ps)
• fter lsq fit to Protein - fter lsq fit to Protein
• 1 - 1
• 0.3030 - 0.3030
• Time (ps) - Time (ps)
• Total - Total

f10979116 Location:

Summary Statistics: Min. 0.0; Max. 100.0; Mean 49.99999999999999; Valid 10001.0; StDev 28.871843550421236;

Variable Format: numeric

Notes: UNF:6:Xd0BNWL8q82nJpopTOPPCw==

f10979116 Location:

Summary Statistics: Max. 12.0; Min. 1.0; Valid 10001.0; StDev 1.6515067945760618; Mean 5.736526347365257

Variable Format: numeric

Notes: UNF:6:fIjgi9FGdj37dCqJx6KcVw==

f10979116 Location:

Summary Statistics: Valid 10001.0; Max. 19.0; StDev 2.828436899503037; Mean 7.399160083991527; Min. 0.0;

Variable Format: numeric

Notes: UNF:6:pkkNrrNfh3m2QbdnFJzqwA==

f10979114 Location:

Summary Statistics: Valid 588.0; Mean 101.08673469387752; Min. 1.0; StDev 60.57414925505587; Max. 220.0

Variable Format: numeric

Notes: UNF:6:0ZVCJE3wSuC1hJySEYgUsA==

f10979114 Location:

Summary Statistics: StDev 0.4432077832509134; Mean 0.49739625850340136; Max. 2.148; Min. 0.0; Valid 588.0

Variable Format: numeric

Notes: UNF:6:Q4roXYHg6jdigjhtXICwCg==

f10979114 Location:

Summary Statistics: StDev 0.07514750968091771; Mean 0.11214285714285714; Valid 588.0; Min. 0.0; Max. 0.593

Variable Format: numeric

Notes: UNF:6:jUBdCwGR/WYxEoz+WgemwQ==

f10979119 Location:

Summary Statistics: StDev 28871.843550421232; Max. 100000.0; Min. 0.0; Valid 10001.0; Mean 50000.0

Variable Format: numeric

Notes: UNF:6:yng+oh+Vq/c2RVgjFBvZ7g==

f10979119 Location:

Summary Statistics: Valid 10001.0; Max. 3.32766; StDev 0.02262362872306649; Min. 3.09312; Mean 3.2447093590640934;

Variable Format: numeric

Notes: UNF:6:WppPxSFBqc3/1R5zVC21Kw==

f10979119 Location:

Summary Statistics: Min. 2.54792; Valid 10001.0; Max. 3.1508; StDev 0.11542728804151577; Mean 2.9186439496050394

Variable Format: numeric

Notes: UNF:6:3+YkjjzncykMVjtpocsfxg==

f10979119 Location:

Summary Statistics: StDev 0.33184362842775167; Mean 2.6824927447255265; Max. 3.16721; Min. 1.93112; Valid 10001.0

Variable Format: numeric

Notes: UNF:6:PkBhY3ocliJUjETs6U7dXw==

f10979119 Location:

Summary Statistics: Max. 3.01107; StDev 0.4399322500814222; Min. 1.47544; Mean 2.2418961483851616; Valid 10001.0;

Variable Format: numeric

Notes: UNF:6:wrfx0h8czIAGSxCmI/68eA==

f10979096 Location:

Summary Statistics: Max. 100.0000076; StDev 28.87184491731381; Min. 0.0; Valid 10001.0; Mean 50.00000236995278

Variable Format: numeric

Notes: UNF:6:o8DlsKAspsa1vrbsM5xrhw==

f10979096 Location:

Summary Statistics: Min. 5.013E-4; Mean 0.4979185747925206; StDev 0.10061867852246964; Max. 0.756481; Valid 10001.0

Variable Format: numeric

Notes: UNF:6:Bz5my3ttArl0eeUclFNa+A==

f10979126 Location:

Summary Statistics: Max. 220.0; Min. 1.0; Valid 587.0; StDev 60.484423244081334; Mean 101.25724020442897

Variable Format: numeric

Notes: UNF:6:38dJW4XDuoosytbht5Mm1A==

f10979126 Location:

Summary Statistics: Mean 0.21794156729131176; Min. 0.092; Max. 1.079; StDev 0.10862161022456958; Valid 587.0;

Variable Format: numeric

Notes: UNF:6:mM+r/ykJlRCPLUijZv/rtw==

f10979118 Location:

Summary Statistics: StDev 28871.843550421232; Max. 100000.0; Min. 0.0; Mean 50000.0; Valid 10001.0

Variable Format: numeric

Notes: UNF:6:yng+oh+Vq/c2RVgjFBvZ7g==

f10979118 Location:

Summary Statistics: StDev 3.690859760212542; Min. 276.628; Valid 10001.0; Max. 307.43; Mean 292.4689092090791

Variable Format: numeric

Notes: UNF:6:IaVM0vmEtv0KLBdUr1vgtQ==

Label:

1afv-part2-311k-hbond.xvg

application/octet-stream

Label:

1afv-part2-311k-res-sasa.xvg

application/octet-stream

Label:

1afv-part2-311k-rg.xvg

application/octet-stream

Label:

1afv-part2-311k-rmsd.xvg

application/octet-stream

Label:

1afv-part2-311k-rmsf.xvg

application/octet-stream

Label:

1afv-part2-311k-sasa.xvg

application/octet-stream

Label:

1afv.pdb

application/vnd.palm

Label:

complex.gro

application/octet-stream

Label:

dynamic-nopbc.xtc

application/octet-stream

Label:

em.edr

application/octet-stream

Label:

em.gro

application/octet-stream

Label:

em.log

text/plain

Label:

em.mdp

application/octet-stream

Label:

em.tpr

application/octet-stream

Label:

em.trr

application/octet-stream

Label:

index.ndx

application/octet-stream

Label:

ions.mdp

application/octet-stream

Label:

ions.tpr

application/octet-stream

Label:

md.mdp

application/octet-stream

Label:

mdout.mdp

application/octet-stream

Label:

md_0_10.cpt

application/mac-compactpro

Label:

md_0_10.edr

application/octet-stream

Label:

md_0_10.gro

application/octet-stream

Label:

md_0_10.log

text/plain

Label:

md_0_10.tpr

application/octet-stream

Label:

md_0_10_prev.cpt

application/mac-compactpro

Label:

newbox.gro

application/octet-stream

Label:

npt.cpt

application/mac-compactpro

Label:

npt.edr

application/octet-stream

Label:

npt.gro

application/octet-stream

Label:

npt.log

text/plain

Label:

npt.mdp

application/octet-stream

Label:

npt.tpr

application/octet-stream

Label:

npt.trr

application/octet-stream

Label:

nvt.cpt

application/mac-compactpro

Label:

nvt.edr

application/octet-stream

Label:

nvt.gro

application/octet-stream

Label:

nvt.log

text/plain

Label:

nvt.mdp

application/octet-stream

Label:

nvt.tpr

application/octet-stream

Label:

nvt.trr

application/octet-stream

Label:

posre_Protein_chain_A.itp

application/vnd.shana.informed.formtemplate

Label:

posre_Protein_chain_H.itp

application/vnd.shana.informed.formtemplate

Label:

posre_Protein_chain_L.itp

application/vnd.shana.informed.formtemplate

Label:

solv.gro

application/octet-stream

Label:

solv_ions.gro

application/octet-stream

Label:

topol.top

application/octet-stream

Label:

topol.top.1

application/octet-stream

Label:

topol.top.2

application/octet-stream

Label:

topol_Protein_chain_A.itp

application/vnd.shana.informed.formtemplate

Label:

topol_Protein_chain_H.itp

application/vnd.shana.informed.formtemplate

Label:

topol_Protein_chain_L.itp

application/vnd.shana.informed.formtemplate

Label:

xvg2csv.py

text/x-python