HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (310K, 37°C, 100 ns), seed #2 (doi:10.7910/DVN/WZ9V3V)

View:

Part 1: Document Description
Part 2: Study Description
Part 3: Data Files Description
Part 4: Variable Description
Part 5: Other Study-Related Materials
Entire Codebook

HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (310K, 37°C, 100 ns), seed #2

doi:10.7910/DVN/WZ9V3V

Harvard Dataverse

2025-03-11

1

PCD, Thermo, 2025, "HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (310K, 37°C, 100 ns), seed #2", https://doi.org/10.7910/DVN/WZ9V3V, Harvard Dataverse, V1, UNF:6:2IZQ6+4xyu5MajbQjF+8Dw== [fileUNF]

HIV-1 capsid protein P24 in complex with Fab of mAb 25.3 (310K, 37°C, 100 ns), seed #2

doi:10.7910/DVN/WZ9V3V

PCD, Thermo (Chonnam National University)

Harvard Dataverse

PCD, Thermo

PCD, Thermo

2025-03-11

https://doi.org/10.7910/DVN/WZ9V3V

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 (310K, 37°C, 100 ns), seed #2

• Number of cases: 10001

• No. of variables per record: 3

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

UNF:6:kSjuFOH0dOsVElwQ8L3sQg==

• Number of cases: 588

• No. of variables per record: 3

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

UNF:6:TiTJ3BvjrtRCGggcRYi65g==

• Number of cases: 10001

• No. of variables per record: 5

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

UNF:6:/zxryzEWVlGOPwzsfZ99iA==

• Number of cases: 10001

• No. of variables per record: 2

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

UNF:6:QfkOWW0A0DCnjP/foUijGw==

• Number of cases: 587

• No. of variables per record: 2

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

UNF:6:nvtswIrvrk7AQDZpn4xZVg==

• Number of cases: 10001

• No. of variables per record: 2

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

UNF:6:0pOkfw2UIwco87V54qZgrQ==

• 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
• 0.3179 - 0.3179
• Time (ps) - Time (ps)
• Total - Total

f10979071 Location:

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

Variable Format: numeric

Notes: UNF:6:Xd0BNWL8q82nJpopTOPPCw==

f10979071 Location:

Summary Statistics: Valid 10001.0; Mean 4.938706129387092; Max. 11.0; Min. 1.0; StDev 1.4552466065006102

Variable Format: numeric

Notes: UNF:6:ZwiFqqEZj9toECuxfgLlng==

f10979071 Location:

Summary Statistics: Valid 10001.0; Mean 5.152084791520889; StDev 2.459708906193914; Max. 15.0; Min. 0.0

Variable Format: numeric

Notes: UNF:6:x6o2/32VhQHzXrfbApZoOg==

f10979068 Location:

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

Variable Format: numeric

Notes: UNF:6:0ZVCJE3wSuC1hJySEYgUsA==

f10979068 Location:

Summary Statistics: Max. 2.238; StDev 0.4505976127594397; Mean 0.5022721088435373; Valid 588.0; Min. 0.0

Variable Format: numeric

Notes: UNF:6:CvVd2JwlY0QCH51kwm+CHw==

f10979068 Location:

Summary Statistics: Valid 588.0; Max. 0.548; StDev 0.0735234197303811; Mean 0.11137585034013606; Min. 0.0;

Variable Format: numeric

Notes: UNF:6:ZlQFGeEcIU9+ZB59DtY8ZQ==

f10979058 Location:

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

Variable Format: numeric

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

f10979058 Location:

Summary Statistics: Mean 3.227565324467553; StDev 0.03831507123048603; Valid 10001.0; Min. 3.07993; Max. 3.32415;

Variable Format: numeric

Notes: UNF:6:tJpwgMRBsocX07MCokWyBA==

f10979058 Location:

Summary Statistics: Min. 2.05737; Valid 10001.0; StDev 0.2520893044067012; Max. 3.0509; Mean 2.6627684331566845

Variable Format: numeric

Notes: UNF:6:xN5Ut3sI6BfBL1p7GPQaBQ==

f10979058 Location:

Summary Statistics: Max. 2.94962; StDev 0.28276372886278267; Valid 10001.0; Mean 2.4905587491250873; Min. 1.78582

Variable Format: numeric

Notes: UNF:6:yA8gWd8ARk+2faoUzvL5aw==

f10979058 Location:

Summary Statistics: StDev 0.2841539367106273; Valid 10001.0; Min. 1.99048; Mean 2.7055217978202175; Max. 3.13077;

Variable Format: numeric

Notes: UNF:6:HZ7Ru6z7EVNdMTZzYrEFsg==

f10979030 Location:

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

Variable Format: numeric

Notes: UNF:6:o8DlsKAspsa1vrbsM5xrhw==

f10979030 Location:

Summary Statistics: Valid 10001.0; Max. 0.75646; Mean 0.43247198892110783; StDev 0.09282211678171337; Min. 4.991E-4

Variable Format: numeric

Notes: UNF:6:8FA61ep7m/qFzt+CGodl3Q==

f10979039 Location:

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

Variable Format: numeric

Notes: UNF:6:38dJW4XDuoosytbht5Mm1A==

f10979039 Location:

Summary Statistics: Min. 0.0974; Valid 587.0; Mean 0.2506195911413969; StDev 0.1312314446152494; Max. 1.3305;

Variable Format: numeric

Notes: UNF:6:H+KwmJ1ClLcnzCO/j0aJrw==

f10979051 Location:

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

Variable Format: numeric

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

f10979051 Location:

Summary Statistics: Max. 310.451; Mean 295.328296970303; StDev 4.743310984829034; Min. 277.578; Valid 10001.0

Variable Format: numeric

Notes: UNF:6:8oRKy717/uhT9XvxnvwO9A==

Label:

1afv-part2-310k-hbond.xvg

application/octet-stream

Label:

1afv-part2-310k-res-sasa.xvg

application/octet-stream

Label:

1afv-part2-310k-rg.xvg

application/octet-stream

Label:

1afv-part2-310k-rmsd.xvg

application/octet-stream

Label:

1afv-part2-310k-rmsf.xvg

application/octet-stream

Label:

1afv-part2-310k-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:

ie.mdp

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