HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (313K, 40°C, 100 ns), seed #2 (doi:10.7910/DVN/PSOU2X)

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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 (313K, 40°C, 100 ns), seed #2

doi:10.7910/DVN/PSOU2X

Harvard Dataverse

2025-03-11

1

PCD, Thermo, 2025, "HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (313K, 40°C, 100 ns), seed #2", https://doi.org/10.7910/DVN/PSOU2X, Harvard Dataverse, V1, UNF:6:ZHo00p3bMgAaEZ6m+sdp3g== [fileUNF]

HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (313K, 40°C, 100 ns), seed #2

doi:10.7910/DVN/PSOU2X

PCD, Thermo (Chonnam National University)

Harvard Dataverse

PCD, Thermo

PCD, Thermo

2025-03-11

https://doi.org/10.7910/DVN/PSOU2X

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 (313K, 40°C, 100 ns), seed #2

• Number of cases: 10001

• No. of variables per record: 3

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

UNF:6:g0dOWFaB0KqtmryI3Y7RzA==

• Number of cases: 588

• No. of variables per record: 3

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

UNF:6:u9I9pidW5LsWt5lbPpoOnw==

• Number of cases: 10001

• No. of variables per record: 5

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

UNF:6:QGsFj4LK3dm6CzZaIM0FRg==

• Number of cases: 10001

• No. of variables per record: 2

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

UNF:6:Nd4hZU5qMXFqI2h2dQB0Wg==

• Number of cases: 587

• No. of variables per record: 2

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

UNF:6:czyJj6KwIWa1rBZnKJ5oww==

• Number of cases: 10001

• No. of variables per record: 2

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

UNF:6:nQHeaqVy7DoUvCatfVVPlA==

• 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
• 0.7792 - 0.7792
• Time (ps) - Time (ps)
• Total - Total

f10979249 Location:

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

Variable Format: numeric

Notes: UNF:6:Xd0BNWL8q82nJpopTOPPCw==

f10979249 Location:

Summary Statistics: Min. 0.0; StDev 2.20409522399198; Mean 3.8977102289769654; Max. 12.0; Valid 10001.0;

Variable Format: numeric

Notes: UNF:6:etCyQUgxyQO8sXBnmFUVLQ==

f10979249 Location:

Summary Statistics: Mean 4.084691530847047; Max. 15.0; Min. 0.0; StDev 2.7348723237726; Valid 10001.0

Variable Format: numeric

Notes: UNF:6:fBvaM72tIhX7gVe2oIpyHA==

f10979237 Location:

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

Variable Format: numeric

Notes: UNF:6:0ZVCJE3wSuC1hJySEYgUsA==

f10979237 Location:

Summary Statistics: Mean 0.4995799319727891; Min. 0.0; Max. 2.118; StDev 0.4389717954625097; Valid 588.0;

Variable Format: numeric

Notes: UNF:6:4XAMFK78JGbtGrSKVKiY1Q==

f10979237 Location:

Summary Statistics: Max. 0.485; Valid 588.0; Mean 0.11251360544217688; Min. 0.0; StDev 0.07785701841922772

Variable Format: numeric

Notes: UNF:6:+fOfqE3sYiHf5FHefIOi+g==

f10979256 Location:

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

Variable Format: numeric

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

f10979256 Location:

Summary Statistics: Max. 3.35794; Min. 3.0561; Mean 3.2020180171982804; Valid 10001.0; StDev 0.04621072344140592

Variable Format: numeric

Notes: UNF:6:9ib6q/14RJ67GFPmp0xabQ==

f10979256 Location:

Summary Statistics: Max. 3.09722; Min. 1.52291; Mean 2.630257418258174; StDev 0.3971863966391017; Valid 10001.0;

Variable Format: numeric

Notes: UNF:6:zgY4HJjkCYaviboFRdQsWA==

f10979256 Location:

Summary Statistics: Valid 10001.0; StDev 0.38293016364243637; Max. 3.13879; Min. 1.55215; Mean 2.500106157384262

Variable Format: numeric

Notes: UNF:6:sQmKV7AVXiBp8qL6sO0Phw==

f10979256 Location:

Summary Statistics: Valid 10001.0; StDev 0.27466094169141336; Mean 2.6384714408559145; Max. 3.07201; Min. 1.77035

Variable Format: numeric

Notes: UNF:6:oxJRtcqF+GzSsg/JhpFM9w==

f10979252 Location:

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

Variable Format: numeric

Notes: UNF:6:o8DlsKAspsa1vrbsM5xrhw==

f10979252 Location:

Summary Statistics: Max. 0.6637696; StDev 0.05833259732606852; Mean 0.3928823805619438; Valid 10001.0; Min. 4.989E-4;

Variable Format: numeric

Notes: UNF:6:WBK3jG3rMdSM7ljZZemyAQ==

f10979227 Location:

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

Variable Format: numeric

Notes: UNF:6:38dJW4XDuoosytbht5Mm1A==

f10979227 Location:

Summary Statistics: Min. 0.0944; Mean 0.23392708688245314; StDev 0.10712948051823436; Valid 587.0; Max. 1.0758

Variable Format: numeric

Notes: UNF:6:/rjAzNywy1r/1Os2GNqjzw==

f10979210 Location:

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

Variable Format: numeric

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

f10979210 Location:

Summary Statistics: Min. 276.325; Mean 293.75035266473355; StDev 3.81152934115889; Valid 10001.0; Max. 306.752

Variable Format: numeric

Notes: UNF:6:FVtIVPFJcIcDrhNwIZ0mXQ==

Label:

1afv-part2-313k-hbond.xvg

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1afv-part2-313k-res-sasa.xvg

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1afv-part2-313k-rg.xvg

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1afv-part2-313k-rmsd.xvg

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1afv-part2-313k-rmsf.xvg

application/octet-stream

Label:

1afv-part2-313k-sasa.xvg

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1afv.pdb

application/vnd.palm

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complex.gro

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dynamic-nopbc.xtc

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em.edr

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em.gro

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em.log

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em.tpr

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em.trr

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index.ndx

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ions.mdp

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ions.tpr

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md.mdp

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mdout.mdp

application/octet-stream

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md_0_10.cpt

application/mac-compactpro

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md_0_10.edr

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md_0_10.gro

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md_0_10.log

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md_0_10.tpr

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md_0_10_prev.cpt

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newbox.gro

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npt.cpt

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npt.edr

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npt.gro

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npt.log

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npt.mdp

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npt.tpr

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npt.trr

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nvt.cpt

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nvt.edr

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nvt.gro

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nvt.log

text/plain

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nvt.mdp

application/octet-stream

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nvt.tpr

application/octet-stream

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nvt.trr

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posre_Protein_chain_A.itp

application/vnd.shana.informed.formtemplate

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posre_Protein_chain_H.itp

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posre_Protein_chain_L.itp

application/vnd.shana.informed.formtemplate

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solv.gro

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solv_ions.gro

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topol.top

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topol.top.1

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topol.top.2

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topol_Protein_chain_A.itp

application/vnd.shana.informed.formtemplate

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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