Published June 5, 2024
| Version v1
Dataset
Open
Molecular dynamics simulation of SpoIVFB:Pro-SigmaK complex (in POPE/POPG mixture)
Description
Simulation in 2:1 POPE:POPG mixture.
Found here are all files needed to reproduce or visualize the results of molecular dynamics simulation of the SpoIVFB intramembrane protease bound to the transcription factor Pro-sigmaK. The protein complex was embedded in a POPE:POPG bilayer using CHARMM-GUI and simulated using OpenMM. The README file is a C-shell script that will run equilibration and 250ns of unrestrained simulation.
Individual output (.out) and trajectory (.dcd) files are provided for each checkpoint of the simulation. A combined trajectory containing 250 ns of unrestrained simulation is also provided (combined_250ns_traj.dcd). Together with the step5_input.psf file, this combined dcd file can be used with common software such as VMD to visualize the molecular dynamics trajectory.
Files
dihe.txt
Files
(16.6 GB)
| Name | Size | Download all |
|---|---|---|
|
md5:c3f7c9981efdf02d2c47e79417e71b27
|
5.4 GB | Download |
|
md5:913a47cb2cd7c18738a6c02fce91e2f0
|
5.4 GB | Download |
|
md5:4a397950802ba113789aba745192b4ca
|
33.8 kB | Preview Download |
|
md5:885385d7b9586a1d63cb00c02e04cf04
|
2.6 kB | Preview Download |
|
md5:38d198fcde58385d22afbd0008bd71a4
|
942 Bytes | Download |
|
md5:c69f0e4027e43d9c5f45eca9ddd99f32
|
14.8 kB | Download |
|
md5:9f7eec7c220bb163a34164352ed2a9b3
|
3.3 kB | Download |
|
md5:ff758e47fbec527e26be1454106cb131
|
7.4 kB | Download |
|
md5:5ba45f5328fe174fb95ffd91d04d730d
|
2.9 kB | Download |
|
md5:0e62036c1a94a5da6ed275cfb6526afb
|
7.3 kB | Download |
|
md5:ff5f9c0433921a81562f1a12734e0895
|
8.0 kB | Download |
|
md5:233b9dfa180a89a72b5d2688842bfce8
|
25.7 kB | Preview Download |
|
md5:ff4455bf4a495edf6aa68a017eba782f
|
60.3 kB | Download |
|
md5:10a8f8d52a3e1b3aa2c628374c7be008
|
1.7 kB | Download |
|
md5:95ab2092129ddfb6b48f9663165ac74f
|
58.3 kB | Download |
|
md5:d5350b13e307eb5d6155df1f34bc1d6b
|
60.7 kB | Download |
|
md5:4c324fc5f789ec39d6904f13a3c32f47
|
25.2 MB | Download |
|
md5:39bcab43681f4b666774f4ab4050a736
|
14.1 MB | Download |
|
md5:ab7f590ddfad91250a6f995b17867fdc
|
33.2 MB | Download |
|
md5:cd8674cde336dd156fd10a0af694e8c6
|
53.6 MB | Download |
|
md5:e32acf293a0a524ff72a35c2a28aa113
|
1.9 kB | Download |
|
md5:386a3566d75f64b29a81c88d86dcc3bd
|
10.1 kB | Download |
|
md5:75eaf6f6b8e2839103b406b0684e9486
|
53.6 MB | Download |
|
md5:bd98ad128b9fb8bf3e1836d633ed631b
|
1.5 kB | Download |
|
md5:0c52c9e7539b23e02819aae52a4472a3
|
10.1 kB | Download |
|
md5:71914ee42293f340ed20d69416c94466
|
53.6 MB | Download |
|
md5:4614fa4f417a1057df42d0662446ce3c
|
2.1 kB | Download |
|
md5:0f5667fa4925d913f6e351a9a681eac7
|
10.0 kB | Download |
|
md5:d07acfbc5b69244dc49de0968223163b
|
107.2 MB | Download |
|
md5:a128f0b19c116958a436aab598d68895
|
2.1 kB | Download |
|
md5:a36deab86ebc83844495a426d39a665a
|
20.1 kB | Download |
|
md5:0354cb48e229b86c8a4b2cd9c30b16b3
|
107.2 MB | Download |
|
md5:c3a18fa1264a1b15aad3dff776614ab1
|
2.1 kB | Download |
|
md5:93ce66ec7ed4fd38a4b1bda53552f200
|
20.2 kB | Download |
|
md5:8007a21a1240d43652922e2fb0572c7c
|
107.2 MB | Download |
|
md5:482824296a92bf4b8ac5a18f4d1f4d57
|
1.8 kB | Download |
|
md5:c1009cd064598db2e8e32cca2651d4f8
|
20.3 kB | Download |
|
md5:34af9313b576188a648b3e1c87ce47e6
|
214.3 MB | Download |
|
md5:0e285ae1bb4448f03bfb2c01310188ea
|
415.2 kB | Download |
|
md5:80931fbae724f9aee7a99ce09d4b4f3f
|
214.3 MB | Download |
|
md5:d6f4188e0a848fbcf97c85eaede1ae84
|
414.1 kB | Download |
|
md5:aa2eac44636609063c5e7e535bc4488d
|
214.3 MB | Download |
|
md5:89609820e20688e482089aa2e54e8989
|
418.2 kB | Download |
|
md5:530e2d1bf5173615938499c1b387df1c
|
214.3 MB | Download |
|
md5:1c5aae982aebcea13a8af17503a81945
|
418.3 kB | Download |
|
md5:61784803a4d3eaeb57a7927073f96aae
|
214.3 MB | Download |
|
md5:c7937e6145a4e19ec541c7e92c75ea63
|
418.2 kB | Download |
|
md5:f2f8dca308431c2845c02f1314bacc8f
|
214.3 MB | Download |
|
md5:a1cbc50ee1aac4dac31c5453bd9410ab
|
417.5 kB | Download |
|
md5:021132a1f93ea6ae20d910be28dff741
|
214.3 MB | Download |
|
md5:96e5f56e2888831299e11ba8ae72523c
|
417.4 kB | Download |
|
md5:c220e3fc46bf666ebcc9d34a884b0ecd
|
214.3 MB | Download |
|
md5:c129955f4b6713c457d9d9006af1e826
|
417.5 kB | Download |
|
md5:8b356584c4df34fd1c6087549a613c3c
|
214.3 MB | Download |
|
md5:7f1560c332ec68ec86cb85ac704bd1c3
|
417.4 kB | Download |
|
md5:9521bb94a2b78c1b9ec09003f01c641a
|
214.3 MB | Download |
|
md5:d18469ed6e6821e8d77e9ad57684223f
|
417.4 kB | Download |
|
md5:119e6f0a5c53f8f09ce7f6f6f66bf950
|
214.3 MB | Download |
|
md5:214bab32f48d027700ba5b67f2f4ef51
|
417.4 kB | Download |
|
md5:6c4d187fb3868219782658231d1214b1
|
214.3 MB | Download |
|
md5:261b65b620e490cfb101b713ea99fdb7
|
417.4 kB | Download |
|
md5:1d1a8c513b28b6d16868d55321d3c8aa
|
214.3 MB | Download |
|
md5:62fe8be1ea465df6703a22d5c341487a
|
417.3 kB | Download |
|
md5:bafb2100b2a43b064fbaafc5436dcb57
|
214.3 MB | Download |
|
md5:9fda99d17ce738735e511b759650b555
|
417.4 kB | Download |
|
md5:28ce7b2cefdff8dcfe83dd5888d25dbd
|
214.3 MB | Download |
|
md5:ef1dc7a44d32c9fc0f0f6c22644541e5
|
417.4 kB | Download |
|
md5:4be82a4a7e6549ef93043e5542ff30f1
|
214.3 MB | Download |
|
md5:fc14996021536bfe1247e10982140e98
|
417.5 kB | Download |
|
md5:77608a36e5dcd97c9ff431688f91da9d
|
214.3 MB | Download |
|
md5:8f16de4e6359e3d8802011de469d8bb2
|
417.4 kB | Download |
|
md5:7dfe1c5e7f150fd45377a3201c5c3f25
|
214.3 MB | Download |
|
md5:d200d08429ebdb2ec456564561ce9105
|
417.4 kB | Download |
|
md5:6db8f013b7de1bcea99159abbc17374a
|
214.3 MB | Download |
|
md5:e9f5e8b8ab6f06653edbc2bc0913cd8f
|
417.0 kB | Download |
|
md5:fa490849cab4af39c794aafaa3e7bc94
|
214.3 MB | Download |
|
md5:c5b015c7c3ee62d8e923f23f6c7da208
|
415.1 kB | Download |
|
md5:6c75fc93db8f781a4558f6e8b34f44c1
|
214.3 MB | Download |
|
md5:0f5de4cc3a41d52b031b2f0e3b53a2f9
|
414.9 kB | Download |
|
md5:400ed5eff9bc19bd28bf3cc7a77f93a2
|
214.3 MB | Download |
|
md5:3dd177a6fd0fddf05ea38927bb35e4df
|
415.0 kB | Download |
|
md5:b0d406070666bd8cd96b6c3d7d5fa2c9
|
214.3 MB | Download |
|
md5:093f12e4fb33fe63dc07fb51a4389427
|
413.9 kB | Download |
|
md5:c70a5412a3cfc79943fa50b93921f412
|
214.3 MB | Download |
|
md5:d5b5ab9b6fa03c4e7d99d0fbb055b4d4
|
413.3 kB | Download |
|
md5:fe7d0d3ef4ca8836fc8c83a7164ebff1
|
214.3 MB | Download |
|
md5:dd14c95034de374a0b0f976f14533c20
|
413.3 kB | Download |
|
md5:8245b6c5362333d50157810e3dae327f
|
1.6 kB | Download |
|
md5:303afcb38f17b71973c97bdc9995721e
|
68 Bytes | Download |
|
md5:aee978148a02afaa67cb91d5c79d36cc
|
2.1 kB | Download |
Additional details
Funding
- National Institute of General Medical Sciences
- Structural Basis of Antimicrobial Peptide Sensing and Resistance R35GM146721
- National Institute of General Medical Sciences
- Intramembrane-Cleaving Metalloproteases of Bacillus subtilis R01GM043585