HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (312K, 39°C, 100 ns), seed #2 (doi:10.7910/DVN/MXFXLD)

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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 (312K, 39°C, 100 ns), seed #2

doi:10.7910/DVN/MXFXLD

Harvard Dataverse

2025-03-11

1

PCD, Thermo, 2025, "HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (312K, 39°C, 100 ns), seed #2", https://doi.org/10.7910/DVN/MXFXLD, Harvard Dataverse, V1, UNF:6:JUWUeFv6QXrHDbgiMRRdwA== [fileUNF]

HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (312K, 39°C, 100 ns), seed #2

doi:10.7910/DVN/MXFXLD

PCD, Thermo (Chonnam National University)

Harvard Dataverse

PCD, Thermo

PCD, Thermo

2025-03-11

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

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 (312K, 39°C, 100 ns), seed #2

• Number of cases: 10001

• No. of variables per record: 3

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

UNF:6:epv+7DHjG7dG1FMJy1G98w==

• Number of cases: 588

• No. of variables per record: 3

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

UNF:6:1ApSQNropx+X2EcGOs2TJA==

• Number of cases: 10001

• No. of variables per record: 5

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

UNF:6:IcT6pzVLrQR2tcOyKXjtkg==

• Number of cases: 10001

• No. of variables per record: 2

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

UNF:6:sjm2BzbK6Y9dRG5xhrzH8g==

• Number of cases: 587

• No. of variables per record: 2

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

UNF:6:9rFhKr76KGdrlvOe4tMHHw==

• Number of cases: 10001

• No. of variables per record: 2

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

UNF:6:63DiDq6YKzbQ8xocNzOjSQ==

• 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
• 0.7439 - 0.7439
• Time (ps) - Time (ps)
• Total - Total

f10979176 Location:

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

Variable Format: numeric

Notes: UNF:6:Xd0BNWL8q82nJpopTOPPCw==

f10979176 Location:

Summary Statistics: StDev 1.4366580043203514; Mean 2.911608839116105; Min. 0.0; Valid 10001.0; Max. 11.0;

Variable Format: numeric

Notes: UNF:6:u9dcKozjKSj5fafiJpYjFQ==

f10979176 Location:

Summary Statistics: Min. 0.0; Mean 4.366163383661645; Valid 10001.0; StDev 2.227489835869744; Max. 16.0;

Variable Format: numeric

Notes: UNF:6:+f1JNACQer/ynz7d3sabXw==

f10979205 Location:

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

Variable Format: numeric

Notes: UNF:6:0ZVCJE3wSuC1hJySEYgUsA==

f10979205 Location:

Summary Statistics: Valid 588.0; StDev 0.4455395978784675; Min. 0.0; Max. 2.109; Mean 0.501391156462585;

Variable Format: numeric

Notes: UNF:6:LT0aORgJWs6NzMD1rSvkEw==

f10979205 Location:

Summary Statistics: Max. 0.51; Min. 0.001; Valid 588.0; Mean 0.11621428571428571; StDev 0.08013260942772782

Variable Format: numeric

Notes: UNF:6:As6rfLSdMOZc9UvU2OjEAg==

f10979203 Location:

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

Variable Format: numeric

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

f10979203 Location:

Summary Statistics: StDev 0.0381982048712416; Max. 3.39656; Mean 3.2796231246875314; Min. 3.09038; Valid 10001.0

Variable Format: numeric

Notes: UNF:6:zdSWr+D1rh2NiwsM7ich7Q==

f10979203 Location:

Summary Statistics: StDev 0.38601173115307097; Valid 10001.0; Mean 2.268518300169983; Max. 3.06641; Min. 1.47173

Variable Format: numeric

Notes: UNF:6:3ceLEn92QSYme+lL1h5+zw==

f10979203 Location:

Summary Statistics: Mean 3.0342789931006897; Max. 3.23163; StDev 0.12446929431693608; Min. 2.33759; Valid 10001.0;

Variable Format: numeric

Notes: UNF:6:iksncF8hCgwpP3OGaImPhw==

f10979203 Location:

Summary Statistics: Valid 10001.0; Min. 1.61063; StDev 0.37619613857178286; Max. 3.16654; Mean 2.618350315968403

Variable Format: numeric

Notes: UNF:6:FLmxEA0+RqqEoaFqmAL2kA==

f10979167 Location:

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

Variable Format: numeric

Notes: UNF:6:o8DlsKAspsa1vrbsM5xrhw==

f10979167 Location:

Summary Statistics: Max. 1.0873377; Mean 0.713489185931407; Valid 10001.0; Min. 4.991E-4; StDev 0.14616335209287393

Variable Format: numeric

Notes: UNF:6:2HABNDSYKbZ5uZtKMIX4dw==

f10979159 Location:

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

Variable Format: numeric

Notes: UNF:6:38dJW4XDuoosytbht5Mm1A==

f10979159 Location:

Summary Statistics: StDev 0.18224363782450723; Max. 1.3802; Mean 0.33850221465076663; Valid 587.0; Min. 0.1

Variable Format: numeric

Notes: UNF:6:KaWvajhjQ1ENG1j9MG7VYA==

f10979156 Location:

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

Variable Format: numeric

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

f10979156 Location:

Summary Statistics: StDev 4.226460504975385; Valid 10001.0; Min. 278.074; Max. 310.684; Mean 294.8107798220178;

Variable Format: numeric

Notes: UNF:6:TAOzlDc82pSrLCObaPTxFg==

Label:

1afv-part2-312k-hbond.xvg

application/octet-stream

Label:

1afv-part2-312k-res-sasa.xvg

application/octet-stream

Label:

1afv-part2-312k-rg.xvg

application/octet-stream

Label:

1afv-part2-312k-rmsd.xvg

application/octet-stream

Label:

1afv-part2-312k-rmsf.xvg

application/octet-stream

Label:

1afv-part2-312k-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

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em.gro

application/octet-stream

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em.log

text/plain

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em.mdp

application/octet-stream

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em.tpr

application/octet-stream

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em.trr

application/octet-stream

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index.ndx

application/octet-stream

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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

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md_0_10.log

text/plain

Label:

md_0_10.tpr

application/octet-stream

Label:

md_0_10_prev.cpt

application/mac-compactpro

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newbox.gro

application/octet-stream

Label:

npt.cpt

application/mac-compactpro

Label:

npt.edr

application/octet-stream

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npt.gro

application/octet-stream

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npt.log

text/plain

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npt.mdp

application/octet-stream

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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