diff --git "a/data/files/A0016/records.jsonl" "b/data/files/A0016/records.jsonl" new file mode 100644--- /dev/null +++ "b/data/files/A0016/records.jsonl" @@ -0,0 +1,3 @@ +{"project_identifier": "A0016", "accession": "A0016", "published": true, "md_index": 0, "md_name": "replica 1", "analyses": ["clusters", "clusters-00", "clusters-01", "clusters-02", "clusters-03", "clusters-04", "clusters-05", "dist-perres", "energies", "fluctuation", "hbonds", "interactions", "pca", "pockets", "rgyr", "rmsd-pairwise", "rmsd-perres", "rmsds", "sasa", "tmscores"], "chains": [], "metadata": {"NAME": "Dynarepo 1JWH", "DESCRIPTION": "PPI from PDBbind, Classical MD simulations, 3 replicates of 500 ns", "AUTHORS": ["Omid Mokhtari", "Hamed Khakzad", "Yasaman Karami"], "GROUPS": ["Delta team, Inria center at the University of Lorraine"], "CONTACT": "yasaman.karami@inria.fr", "PROGRAM": "GROMACS", "VERSION": "2024.2", "TYPE": "trajectory", "METHOD": "Classical MD", "LICENSE": "Apache License 2.0", "LINKCENSE": "https://www.apache.org/licenses/LICENSE-2.0", "CITATION": "DynaRepo citation", "THANKS": "DynaRepo Acknowledgements", "LINKS": null, "PDBIDS": ["1JWH"], "FORCED_REFERENCES": null, "REFERENCES": ["P68400", "P67870"], "INPUT_LIGANDS": null, "LIGANDS": [], "LIGANDNAMES": null, "PROTSEQ": ["SGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGS", "EVSWISWFCGLRGNEFFCEVDEDYIQDKFNLTGLNEQVPHYRQALDMILDLEPDEELEDNPNQSDLIEQAAEMLYGLIHARYILTNRGIAQMLEKYQQGDFGYXPRVYXENQPMLPIGLSDIPGEAMVKLYXPKXMDVYTPKSSRHHHTDGAYFGTGFPHMLFMVHPEYRPKRPANQFVPRLYGFKIHPMAYQLQLQAAS", "SGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSS", "SSSEEVSWISWFCGLRGNEFFCEVDEDYIQDKFNLTGLNEQVPHYRQALDMILDLEPDEELEDNPNQSDLIEQAAEMLYGLIHARYILTNRGIAQMLEKYQQGDFGYXPRVYXENQPMLPIGLSDIPGEAMVKLYXPKXMDVYTPKSSRHHHTDGAYFGTGFPHMLFMVHPEYRPKRPANQFVPRLYGFKIHPMAYQLQLQAAS"], "NUCLSEQ": [], "DOMAINS": ["Casein kinase II subunit alpha", "Protein kinase", "Interaction with beta subunit", "Casein kinase II subunit beta", "Interaction with alpha subunit", "KSSR motif"], "FRAMESTEP": 0.1, "TIMESTEP": 2, "TEMP": 310, "ENSEMBLE": "NPT", "FF": ["CHARMM36m"], "WAT": "TIP3P", "BOXTYPE": "Dodecahedron", "SYSTATS": 17609, "SYSTRES": 1075, "PROTATS": 17609, "PROTRES": 1075, "NUCLATS": 0, "NUCLRES": 0, "LIPIATS": 0, "LIPIRES": 0, "CARBATS": 0, "CARBRES": 0, "SOLVATS": 0, "SOLVRES": 0, "COUNCAT": 0, "COUNANI": 0, "COUNION": 0, "INTERACTIONS": [{"name": "protein-protein interaction A-D", "agent_1": "protein A", "agent_2": "protein D", "selection_1": "chain A", "selection_2": "chain B", "type": "protein-protein"}, {"name": "protein-protein interaction A-C", "agent_1": "protein A", "agent_2": "protein C", "selection_1": "chain A", "selection_2": "chain C", "type": "protein-protein"}, {"name": "protein-protein interaction B-D", "agent_1": "protein B", "agent_2": "protein D", "selection_1": "chain A", "selection_2": "chain D", "type": "protein-protein"}, {"name": "protein-protein interaction B-C", "agent_1": "protein B", "agent_2": "protein C", "selection_1": "chain B", "selection_2": "chain C", "type": "protein-protein"}, {"name": "protein-protein interaction D-C", "agent_1": "protein D", "agent_2": "protein C", "selection_1": "chain B", "selection_2": "chain D", "type": "protein-protein"}], "PBC_SELECTION": null, "CHAINNAMES": null, "MEMBRANES": null, "CUSTOMS": null, "ORIENTATION": null, "PTM": [], "MULTIMERIC": null, "COLLECTIONS": "dynarepo", "WARNINGS": [], "BOXSIZEX": 18.2153, "BOXSIZEY": 18.2153, "BOXSIZEZ": 12.8434, "mdName": "replica 1", "mdAtoms": 17609, "mdFrames": 5001}, "files": [{"name": "topology.tpr", "downloadUrl": "/projects/A0016/files/topology.tpr", "length": 5617364, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": null}}, {"name": "screenshot.jpg", "downloadUrl": "/projects/A0016/files/screenshot.jpg", "length": 22985, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": null}}, {"name": "trajectory.bin", "downloadUrl": "/projects/A0016/files/trajectory.bin", "length": 1056751308, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 5001, "atoms": 17609}}, {"name": "pca_trajectory_01.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_01.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_02.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_02.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_03.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_03.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_04.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_04.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_05.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_05.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_06.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_06.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_07.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_07.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_08.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_08.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_09.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_09.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_10.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_10.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "structure.pdb", "downloadUrl": "/projects/A0016/files/structure.pdb", "length": 1426364, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "trajectory.xtc", "downloadUrl": "/projects/A0016/files/trajectory.xtc", "length": 335888300, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_00.jpg", "length": 23078, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_01.jpg", "length": 23058, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_02.jpg", "length": 23193, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_03.jpg", "length": 22994, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_04.jpg", "length": 22837, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_05.jpg", "length": 22855, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_06.jpg", "length": 22634, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_07.jpg", "length": 22312, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_08.jpg", "length": 22818, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_09.jpg", "length": 22745, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_10.jpg", "length": 23270, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_11.jpg", "length": 22099, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_12.jpg", "length": 23028, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_13.jpg", "length": 23201, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_14.jpg", "length": 23395, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_15.jpg", "length": 22013, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_16.jpg", "length": 23450, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_17.jpg", "length": 23034, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_18.jpg", "length": 23591, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_19.jpg", "length": 23321, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_00.jpg", "length": 21223, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_01.jpg", "length": 21750, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_02.jpg", "length": 20641, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_03.jpg", "length": 21470, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_04.jpg", "length": 20682, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_05.jpg", "length": 20654, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_06.jpg", "length": 20516, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_07.jpg", "length": 20280, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_08.jpg", "length": 20685, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_09.jpg", "length": 21276, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_10.jpg", "length": 20623, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_11.jpg", "length": 20840, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_12.jpg", "length": 21378, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_13.jpg", "length": 21014, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_14.jpg", "length": 21204, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_15.jpg", "length": 21290, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_16.jpg", "length": 21423, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_17.jpg", "length": 21179, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_18.jpg", "length": 21352, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_19.jpg", "length": 21447, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_20.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_20.jpg", "length": 21491, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_00.jpg", "length": 22657, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_01.jpg", "length": 22483, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_02.jpg", "length": 22354, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_03.jpg", "length": 22328, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_04.jpg", "length": 22161, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_05.jpg", "length": 22892, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_06.jpg", "length": 21448, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_07.jpg", "length": 21538, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_08.jpg", "length": 21479, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_09.jpg", "length": 21776, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_10.jpg", "length": 21325, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_11.jpg", "length": 21428, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_12.jpg", "length": 22705, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_13.jpg", "length": 20878, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_14.jpg", "length": 22261, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_15.jpg", "length": 22454, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_16.jpg", "length": 22386, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_17.jpg", "length": 22473, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_18.jpg", "length": 22426, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_19.jpg", "length": 22793, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_20.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_20.jpg", "length": 22661, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_00.jpg", "length": 20427, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_01.jpg", "length": 20815, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_02.jpg", "length": 20766, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_03.jpg", "length": 20638, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_04.jpg", "length": 20621, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_05.jpg", "length": 20592, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_06.jpg", "length": 20753, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_07.jpg", "length": 20622, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_08.jpg", "length": 20250, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_09.jpg", "length": 20075, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_10.jpg", "length": 20635, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_11.jpg", "length": 20361, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_12.jpg", "length": 20437, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_13.jpg", "length": 21304, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_14.jpg", "length": 20838, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_15.jpg", "length": 21043, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_16.jpg", "length": 21191, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_17.jpg", "length": 21168, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_18.jpg", "length": 19740, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_19.jpg", "length": 20965, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_20.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_20.jpg", "length": 20554, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_21.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_21.jpg", "length": 21246, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_00.jpg", "length": 23259, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_01.jpg", "length": 22970, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_02.jpg", "length": 23427, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_03.jpg", "length": 22069, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_04.jpg", "length": 22694, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_05.jpg", "length": 22592, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_06.jpg", "length": 23839, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_07.jpg", "length": 22452, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_08.jpg", "length": 23155, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_09.jpg", "length": 22336, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_10.jpg", "length": 22484, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_11.jpg", "length": 23110, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_12.jpg", "length": 23247, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_13.jpg", "length": 22938, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_14.jpg", "length": 23564, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_15.jpg", "length": 23017, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_16.jpg", "length": 23581, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_17.jpg", "length": 23546, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_18.jpg", "length": 23219, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_19.jpg", "length": 23895, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_00.jpg", "length": 22650, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_01.jpg", "length": 22421, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_02.jpg", "length": 22085, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_03.jpg", "length": 22412, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_04.jpg", "length": 21541, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_05.jpg", "length": 22281, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_06.jpg", "length": 22175, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_07.jpg", "length": 23021, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_08.jpg", "length": 22368, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_09.jpg", "length": 22311, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_10.jpg", "length": 22687, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_11.jpg", "length": 22737, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_12.jpg", "length": 22882, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_13.jpg", "length": 22663, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_14.jpg", "length": 22888, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_15.jpg", "length": 22871, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_16.jpg", "length": 22704, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_17.jpg", "length": 22702, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_18.jpg", "length": 22736, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_19.jpg", "length": 23020, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_01.pdb", "downloadUrl": "/projects/A0016/files/pocket_01.pdb", "length": 21641, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_02.pdb", "downloadUrl": "/projects/A0016/files/pocket_02.pdb", "length": 19095, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_03.pdb", "downloadUrl": "/projects/A0016/files/pocket_03.pdb", "length": 18894, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_04.pdb", "downloadUrl": "/projects/A0016/files/pocket_04.pdb", "length": 17554, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_05.pdb", "downloadUrl": "/projects/A0016/files/pocket_05.pdb", "length": 12328, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_06.pdb", "downloadUrl": "/projects/A0016/files/pocket_06.pdb", "length": 11926, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_07.pdb", "downloadUrl": "/projects/A0016/files/pocket_07.pdb", "length": 10988, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_08.pdb", "downloadUrl": "/projects/A0016/files/pocket_08.pdb", "length": 10653, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_09.pdb", "downloadUrl": "/projects/A0016/files/pocket_09.pdb", "length": 5762, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_10.pdb", "downloadUrl": "/projects/A0016/files/pocket_10.pdb", "length": 4355, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}]} +{"project_identifier": "A0016", "accession": "A0016", "published": true, "md_index": 1, "md_name": "replica 2", "analyses": ["clusters", "clusters-00", "clusters-01", "clusters-02", "clusters-03", "clusters-04", "clusters-05", "dist-perres", "energies", "fluctuation", "hbonds", "interactions", "pca", "pockets", "rgyr", "rmsd-pairwise", "rmsd-perres", "rmsds", "sasa", "tmscores"], "chains": [], "metadata": {"NAME": "Dynarepo 1JWH", "DESCRIPTION": "PPI from PDBbind, Classical MD simulations, 3 replicates of 500 ns", "AUTHORS": ["Omid Mokhtari", "Hamed Khakzad", "Yasaman Karami"], "GROUPS": ["Delta team, Inria center at the University of Lorraine"], "CONTACT": "yasaman.karami@inria.fr", "PROGRAM": "GROMACS", "VERSION": "2024.2", "TYPE": "trajectory", "METHOD": "Classical MD", "LICENSE": "Apache License 2.0", "LINKCENSE": "https://www.apache.org/licenses/LICENSE-2.0", "CITATION": "DynaRepo citation", "THANKS": "DynaRepo Acknowledgements", "LINKS": null, "PDBIDS": ["1JWH"], "FORCED_REFERENCES": null, "REFERENCES": ["P68400", "P67870"], "INPUT_LIGANDS": null, "LIGANDS": [], "LIGANDNAMES": null, "PROTSEQ": ["SGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGS", "EVSWISWFCGLRGNEFFCEVDEDYIQDKFNLTGLNEQVPHYRQALDMILDLEPDEELEDNPNQSDLIEQAAEMLYGLIHARYILTNRGIAQMLEKYQQGDFGYXPRVYXENQPMLPIGLSDIPGEAMVKLYXPKXMDVYTPKSSRHHHTDGAYFGTGFPHMLFMVHPEYRPKRPANQFVPRLYGFKIHPMAYQLQLQAAS", "SGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSS", "SSSEEVSWISWFCGLRGNEFFCEVDEDYIQDKFNLTGLNEQVPHYRQALDMILDLEPDEELEDNPNQSDLIEQAAEMLYGLIHARYILTNRGIAQMLEKYQQGDFGYXPRVYXENQPMLPIGLSDIPGEAMVKLYXPKXMDVYTPKSSRHHHTDGAYFGTGFPHMLFMVHPEYRPKRPANQFVPRLYGFKIHPMAYQLQLQAAS"], "NUCLSEQ": [], "DOMAINS": ["Casein kinase II subunit alpha", "Protein kinase", "Interaction with beta subunit", "Casein kinase II subunit beta", "Interaction with alpha subunit", "KSSR motif"], "FRAMESTEP": 0.1, "TIMESTEP": 2, "TEMP": 310, "ENSEMBLE": "NPT", "FF": ["CHARMM36m"], "WAT": "TIP3P", "BOXTYPE": "Dodecahedron", "SYSTATS": 17609, "SYSTRES": 1075, "PROTATS": 17609, "PROTRES": 1075, "NUCLATS": 0, "NUCLRES": 0, "LIPIATS": 0, "LIPIRES": 0, "CARBATS": 0, "CARBRES": 0, "SOLVATS": 0, "SOLVRES": 0, "COUNCAT": 0, "COUNANI": 0, "COUNION": 0, "INTERACTIONS": [{"name": "protein-protein interaction A-D", "agent_1": "protein A", "agent_2": "protein D", "selection_1": "chain A", "selection_2": "chain B", "type": "protein-protein"}, {"name": "protein-protein interaction A-C", "agent_1": "protein A", "agent_2": "protein C", "selection_1": "chain A", "selection_2": "chain C", "type": "protein-protein"}, {"name": "protein-protein interaction B-D", "agent_1": "protein B", "agent_2": "protein D", "selection_1": "chain A", "selection_2": "chain D", "type": "protein-protein"}, {"name": "protein-protein interaction B-C", "agent_1": "protein B", "agent_2": "protein C", "selection_1": "chain B", "selection_2": "chain C", "type": "protein-protein"}, {"name": "protein-protein interaction D-C", "agent_1": "protein D", "agent_2": "protein C", "selection_1": "chain B", "selection_2": "chain D", "type": "protein-protein"}], "PBC_SELECTION": null, "CHAINNAMES": null, "MEMBRANES": null, "CUSTOMS": null, "ORIENTATION": null, "PTM": [], "MULTIMERIC": null, "COLLECTIONS": "dynarepo", "WARNINGS": [], "BOXSIZEX": 18.2153, "BOXSIZEY": 18.2153, "BOXSIZEZ": 12.8434, "mdName": "replica 1", "mdAtoms": 17609, "mdFrames": 5001}, "files": [{"name": "topology.tpr", "downloadUrl": "/projects/A0016/files/topology.tpr", "length": 5617364, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": null}}, {"name": "screenshot.jpg", "downloadUrl": "/projects/A0016/files/screenshot.jpg", "length": 22985, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": null}}, {"name": "trajectory.bin", "downloadUrl": "/projects/A0016/files/trajectory.bin", "length": 1056751308, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 5001, "atoms": 17609}}, {"name": "pca_trajectory_01.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_01.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_02.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_02.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_03.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_03.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_04.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_04.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_05.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_05.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_06.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_06.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_07.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_07.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_08.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_08.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_09.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_09.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_10.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_10.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "structure.pdb", "downloadUrl": "/projects/A0016/files/structure.pdb", "length": 1426364, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "trajectory.xtc", "downloadUrl": "/projects/A0016/files/trajectory.xtc", "length": 335888300, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_00.jpg", "length": 23078, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_01.jpg", "length": 23058, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_02.jpg", "length": 23193, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_03.jpg", "length": 22994, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_04.jpg", "length": 22837, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_05.jpg", "length": 22855, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_06.jpg", "length": 22634, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_07.jpg", "length": 22312, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_08.jpg", "length": 22818, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_09.jpg", "length": 22745, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_10.jpg", "length": 23270, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_11.jpg", "length": 22099, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_12.jpg", "length": 23028, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_13.jpg", "length": 23201, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_14.jpg", "length": 23395, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_15.jpg", "length": 22013, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_16.jpg", "length": 23450, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_17.jpg", "length": 23034, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_18.jpg", "length": 23591, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_19.jpg", "length": 23321, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_00.jpg", "length": 21223, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_01.jpg", "length": 21750, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_02.jpg", "length": 20641, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_03.jpg", "length": 21470, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_04.jpg", "length": 20682, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_05.jpg", "length": 20654, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_06.jpg", "length": 20516, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_07.jpg", "length": 20280, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_08.jpg", "length": 20685, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_09.jpg", "length": 21276, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_10.jpg", "length": 20623, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_11.jpg", "length": 20840, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_12.jpg", "length": 21378, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_13.jpg", "length": 21014, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_14.jpg", "length": 21204, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_15.jpg", "length": 21290, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_16.jpg", "length": 21423, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_17.jpg", "length": 21179, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_18.jpg", "length": 21352, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_19.jpg", "length": 21447, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_20.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_20.jpg", "length": 21491, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_00.jpg", "length": 22657, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_01.jpg", "length": 22483, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_02.jpg", "length": 22354, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_03.jpg", "length": 22328, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_04.jpg", "length": 22161, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_05.jpg", "length": 22892, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_06.jpg", "length": 21448, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_07.jpg", "length": 21538, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_08.jpg", "length": 21479, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_09.jpg", "length": 21776, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_10.jpg", "length": 21325, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_11.jpg", "length": 21428, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_12.jpg", "length": 22705, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_13.jpg", "length": 20878, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_14.jpg", "length": 22261, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_15.jpg", "length": 22454, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_16.jpg", "length": 22386, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_17.jpg", "length": 22473, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_18.jpg", "length": 22426, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_19.jpg", "length": 22793, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_20.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_20.jpg", "length": 22661, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_00.jpg", "length": 20427, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_01.jpg", "length": 20815, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_02.jpg", "length": 20766, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_03.jpg", "length": 20638, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_04.jpg", "length": 20621, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_05.jpg", "length": 20592, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_06.jpg", "length": 20753, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_07.jpg", "length": 20622, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_08.jpg", "length": 20250, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_09.jpg", "length": 20075, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_10.jpg", "length": 20635, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_11.jpg", "length": 20361, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_12.jpg", "length": 20437, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_13.jpg", "length": 21304, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_14.jpg", "length": 20838, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_15.jpg", "length": 21043, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_16.jpg", "length": 21191, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_17.jpg", "length": 21168, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_18.jpg", "length": 19740, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_19.jpg", "length": 20965, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_20.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_20.jpg", "length": 20554, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_21.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_21.jpg", "length": 21246, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_00.jpg", "length": 23259, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_01.jpg", "length": 22970, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_02.jpg", "length": 23427, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_03.jpg", "length": 22069, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_04.jpg", "length": 22694, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_05.jpg", "length": 22592, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_06.jpg", "length": 23839, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_07.jpg", "length": 22452, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_08.jpg", "length": 23155, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_09.jpg", "length": 22336, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_10.jpg", "length": 22484, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_11.jpg", "length": 23110, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_12.jpg", "length": 23247, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_13.jpg", "length": 22938, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_14.jpg", "length": 23564, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_15.jpg", "length": 23017, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_16.jpg", "length": 23581, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_17.jpg", "length": 23546, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_18.jpg", "length": 23219, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_19.jpg", "length": 23895, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_00.jpg", "length": 22650, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_01.jpg", "length": 22421, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_02.jpg", "length": 22085, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_03.jpg", "length": 22412, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_04.jpg", "length": 21541, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_05.jpg", "length": 22281, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_06.jpg", "length": 22175, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_07.jpg", "length": 23021, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_08.jpg", "length": 22368, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_09.jpg", "length": 22311, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_10.jpg", "length": 22687, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_11.jpg", "length": 22737, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_12.jpg", "length": 22882, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_13.jpg", "length": 22663, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_14.jpg", "length": 22888, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_15.jpg", "length": 22871, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_16.jpg", "length": 22704, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_17.jpg", "length": 22702, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_18.jpg", "length": 22736, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_19.jpg", "length": 23020, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_01.pdb", "downloadUrl": "/projects/A0016/files/pocket_01.pdb", "length": 21641, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_02.pdb", "downloadUrl": "/projects/A0016/files/pocket_02.pdb", "length": 19095, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_03.pdb", "downloadUrl": "/projects/A0016/files/pocket_03.pdb", "length": 18894, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_04.pdb", "downloadUrl": "/projects/A0016/files/pocket_04.pdb", "length": 17554, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_05.pdb", "downloadUrl": "/projects/A0016/files/pocket_05.pdb", "length": 12328, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_06.pdb", "downloadUrl": "/projects/A0016/files/pocket_06.pdb", "length": 11926, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_07.pdb", "downloadUrl": "/projects/A0016/files/pocket_07.pdb", "length": 10988, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_08.pdb", "downloadUrl": "/projects/A0016/files/pocket_08.pdb", "length": 10653, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_09.pdb", "downloadUrl": "/projects/A0016/files/pocket_09.pdb", "length": 5762, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_10.pdb", "downloadUrl": "/projects/A0016/files/pocket_10.pdb", "length": 4355, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}]} +{"project_identifier": "A0016", "accession": "A0016", "published": true, "md_index": 2, "md_name": "replica 3", "analyses": ["clusters", "clusters-00", "clusters-01", "clusters-02", "clusters-03", "clusters-04", "clusters-05", "dist-perres", "energies", "fluctuation", "hbonds", "interactions", "pca", "pockets", "rgyr", "rmsd-pairwise", "rmsd-perres", "rmsds", "sasa", "tmscores"], "chains": [], "metadata": {"NAME": "Dynarepo 1JWH", "DESCRIPTION": "PPI from PDBbind, Classical MD simulations, 3 replicates of 500 ns", "AUTHORS": ["Omid Mokhtari", "Hamed Khakzad", "Yasaman Karami"], "GROUPS": ["Delta team, Inria center at the University of Lorraine"], "CONTACT": "yasaman.karami@inria.fr", "PROGRAM": "GROMACS", "VERSION": "2024.2", "TYPE": "trajectory", "METHOD": "Classical MD", "LICENSE": "Apache License 2.0", "LINKCENSE": "https://www.apache.org/licenses/LICENSE-2.0", "CITATION": "DynaRepo citation", "THANKS": "DynaRepo Acknowledgements", "LINKS": null, "PDBIDS": ["1JWH"], "FORCED_REFERENCES": null, "REFERENCES": ["P68400", "P67870"], "INPUT_LIGANDS": null, "LIGANDS": [], "LIGANDNAMES": null, "PROTSEQ": ["SGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGS", "EVSWISWFCGLRGNEFFCEVDEDYIQDKFNLTGLNEQVPHYRQALDMILDLEPDEELEDNPNQSDLIEQAAEMLYGLIHARYILTNRGIAQMLEKYQQGDFGYXPRVYXENQPMLPIGLSDIPGEAMVKLYXPKXMDVYTPKSSRHHHTDGAYFGTGFPHMLFMVHPEYRPKRPANQFVPRLYGFKIHPMAYQLQLQAAS", "SGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSS", "SSSEEVSWISWFCGLRGNEFFCEVDEDYIQDKFNLTGLNEQVPHYRQALDMILDLEPDEELEDNPNQSDLIEQAAEMLYGLIHARYILTNRGIAQMLEKYQQGDFGYXPRVYXENQPMLPIGLSDIPGEAMVKLYXPKXMDVYTPKSSRHHHTDGAYFGTGFPHMLFMVHPEYRPKRPANQFVPRLYGFKIHPMAYQLQLQAAS"], "NUCLSEQ": [], "DOMAINS": ["Casein kinase II subunit alpha", "Protein kinase", "Interaction with beta subunit", "Casein kinase II subunit beta", "Interaction with alpha subunit", "KSSR motif"], "FRAMESTEP": 0.1, "TIMESTEP": 2, "TEMP": 310, "ENSEMBLE": "NPT", "FF": ["CHARMM36m"], "WAT": "TIP3P", "BOXTYPE": "Dodecahedron", "SYSTATS": 17609, "SYSTRES": 1075, "PROTATS": 17609, "PROTRES": 1075, "NUCLATS": 0, "NUCLRES": 0, "LIPIATS": 0, "LIPIRES": 0, "CARBATS": 0, "CARBRES": 0, "SOLVATS": 0, "SOLVRES": 0, "COUNCAT": 0, "COUNANI": 0, "COUNION": 0, "INTERACTIONS": [{"name": "protein-protein interaction A-D", "agent_1": "protein A", "agent_2": "protein D", "selection_1": "chain A", "selection_2": "chain B", "type": "protein-protein"}, {"name": "protein-protein interaction A-C", "agent_1": "protein A", "agent_2": "protein C", "selection_1": "chain A", "selection_2": "chain C", "type": "protein-protein"}, {"name": "protein-protein interaction B-D", "agent_1": "protein B", "agent_2": "protein D", "selection_1": "chain A", "selection_2": "chain D", "type": "protein-protein"}, {"name": "protein-protein interaction B-C", "agent_1": "protein B", "agent_2": "protein C", "selection_1": "chain B", "selection_2": "chain C", "type": "protein-protein"}, {"name": "protein-protein interaction D-C", "agent_1": "protein D", "agent_2": "protein C", "selection_1": "chain B", "selection_2": "chain D", "type": "protein-protein"}], "PBC_SELECTION": null, "CHAINNAMES": null, "MEMBRANES": null, "CUSTOMS": null, "ORIENTATION": null, "PTM": [], "MULTIMERIC": null, "COLLECTIONS": "dynarepo", "WARNINGS": [], "BOXSIZEX": 18.2153, "BOXSIZEY": 18.2153, "BOXSIZEZ": 12.8434, "mdName": "replica 1", "mdAtoms": 17609, "mdFrames": 5001}, "files": [{"name": "topology.tpr", "downloadUrl": "/projects/A0016/files/topology.tpr", "length": 5617364, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": null}}, {"name": "screenshot.jpg", "downloadUrl": "/projects/A0016/files/screenshot.jpg", "length": 22985, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": null}}, {"name": "trajectory.bin", "downloadUrl": "/projects/A0016/files/trajectory.bin", "length": 1056751308, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 5001, "atoms": 17609}}, {"name": "pca_trajectory_01.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_01.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_02.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_02.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_03.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_03.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_04.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_04.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_05.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_05.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_06.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_06.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_07.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_07.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_08.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_08.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_09.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_09.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "pca_trajectory_10.bin", "downloadUrl": "/projects/A0016/files/pca_trajectory_10.bin", "length": 774000, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0, "frames": 20, "atoms": 3225}}, {"name": "structure.pdb", "downloadUrl": "/projects/A0016/files/structure.pdb", "length": 1426364, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "trajectory.xtc", "downloadUrl": "/projects/A0016/files/trajectory.xtc", "length": 335888300, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_00.jpg", "length": 23078, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_01.jpg", "length": 23058, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_02.jpg", "length": 23193, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_03.jpg", "length": 22994, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_04.jpg", "length": 22837, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_05.jpg", "length": 22855, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_06.jpg", "length": 22634, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_07.jpg", "length": 22312, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_08.jpg", "length": 22818, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_09.jpg", "length": 22745, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_10.jpg", "length": 23270, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_11.jpg", "length": 22099, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_12.jpg", "length": 23028, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_13.jpg", "length": 23201, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_14.jpg", "length": 23395, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_15.jpg", "length": 22013, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_16.jpg", "length": 23450, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_17.jpg", "length": 23034, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_18.jpg", "length": 23591, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_00_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_00_screenshot_19.jpg", "length": 23321, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_00.jpg", "length": 21223, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_01.jpg", "length": 21750, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_02.jpg", "length": 20641, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_03.jpg", "length": 21470, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_04.jpg", "length": 20682, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_05.jpg", "length": 20654, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_06.jpg", "length": 20516, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_07.jpg", "length": 20280, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_08.jpg", "length": 20685, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_09.jpg", "length": 21276, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_10.jpg", "length": 20623, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_11.jpg", "length": 20840, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_12.jpg", "length": 21378, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_13.jpg", "length": 21014, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_14.jpg", "length": 21204, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_15.jpg", "length": 21290, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_16.jpg", "length": 21423, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_17.jpg", "length": 21179, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_18.jpg", "length": 21352, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_19.jpg", "length": 21447, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_01_screenshot_20.jpg", "downloadUrl": "/projects/A0016/files/clusters_01_screenshot_20.jpg", "length": 21491, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_00.jpg", "length": 22657, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_01.jpg", "length": 22483, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_02.jpg", "length": 22354, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_03.jpg", "length": 22328, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_04.jpg", "length": 22161, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_05.jpg", "length": 22892, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_06.jpg", "length": 21448, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_07.jpg", "length": 21538, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_08.jpg", "length": 21479, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_09.jpg", "length": 21776, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_10.jpg", "length": 21325, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_11.jpg", "length": 21428, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_12.jpg", "length": 22705, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_13.jpg", "length": 20878, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_14.jpg", "length": 22261, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_15.jpg", "length": 22454, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_16.jpg", "length": 22386, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_17.jpg", "length": 22473, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_18.jpg", "length": 22426, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_19.jpg", "length": 22793, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_02_screenshot_20.jpg", "downloadUrl": "/projects/A0016/files/clusters_02_screenshot_20.jpg", "length": 22661, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_00.jpg", "length": 20427, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_01.jpg", "length": 20815, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_02.jpg", "length": 20766, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_03.jpg", "length": 20638, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_04.jpg", "length": 20621, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_05.jpg", "length": 20592, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_06.jpg", "length": 20753, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_07.jpg", "length": 20622, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_08.jpg", "length": 20250, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_09.jpg", "length": 20075, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_10.jpg", "length": 20635, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_11.jpg", "length": 20361, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_12.jpg", "length": 20437, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_13.jpg", "length": 21304, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_14.jpg", "length": 20838, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_15.jpg", "length": 21043, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_16.jpg", "length": 21191, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_17.jpg", "length": 21168, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_18.jpg", "length": 19740, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_19.jpg", "length": 20965, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_20.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_20.jpg", "length": 20554, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_03_screenshot_21.jpg", "downloadUrl": "/projects/A0016/files/clusters_03_screenshot_21.jpg", "length": 21246, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_00.jpg", "length": 23259, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_01.jpg", "length": 22970, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_02.jpg", "length": 23427, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_03.jpg", "length": 22069, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_04.jpg", "length": 22694, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_05.jpg", "length": 22592, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_06.jpg", "length": 23839, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_07.jpg", "length": 22452, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_08.jpg", "length": 23155, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_09.jpg", "length": 22336, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_10.jpg", "length": 22484, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_11.jpg", "length": 23110, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_12.jpg", "length": 23247, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_13.jpg", "length": 22938, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_14.jpg", "length": 23564, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_15.jpg", "length": 23017, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_16.jpg", "length": 23581, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_17.jpg", "length": 23546, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_18.jpg", "length": 23219, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_04_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_04_screenshot_19.jpg", "length": 23895, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_00.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_00.jpg", "length": 22650, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_01.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_01.jpg", "length": 22421, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_02.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_02.jpg", "length": 22085, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_03.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_03.jpg", "length": 22412, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_04.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_04.jpg", "length": 21541, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_05.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_05.jpg", "length": 22281, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_06.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_06.jpg", "length": 22175, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_07.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_07.jpg", "length": 23021, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_08.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_08.jpg", "length": 22368, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_09.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_09.jpg", "length": 22311, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_10.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_10.jpg", "length": 22687, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_11.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_11.jpg", "length": 22737, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_12.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_12.jpg", "length": 22882, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_13.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_13.jpg", "length": 22663, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_14.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_14.jpg", "length": 22888, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_15.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_15.jpg", "length": 22871, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_16.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_16.jpg", "length": 22704, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_17.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_17.jpg", "length": 22702, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_18.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_18.jpg", "length": 22736, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "clusters_05_screenshot_19.jpg", "downloadUrl": "/projects/A0016/files/clusters_05_screenshot_19.jpg", "length": 23020, "contentType": "application/octet-stream", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_01.pdb", "downloadUrl": "/projects/A0016/files/pocket_01.pdb", "length": 21641, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_02.pdb", "downloadUrl": "/projects/A0016/files/pocket_02.pdb", "length": 19095, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_03.pdb", "downloadUrl": "/projects/A0016/files/pocket_03.pdb", "length": 18894, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_04.pdb", "downloadUrl": "/projects/A0016/files/pocket_04.pdb", "length": 17554, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_05.pdb", "downloadUrl": "/projects/A0016/files/pocket_05.pdb", "length": 12328, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_06.pdb", "downloadUrl": "/projects/A0016/files/pocket_06.pdb", "length": 11926, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_07.pdb", "downloadUrl": "/projects/A0016/files/pocket_07.pdb", "length": 10988, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_08.pdb", "downloadUrl": "/projects/A0016/files/pocket_08.pdb", "length": 10653, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_09.pdb", "downloadUrl": "/projects/A0016/files/pocket_09.pdb", "length": 5762, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}, {"name": "pocket_10.pdb", "downloadUrl": "/projects/A0016/files/pocket_10.pdb", "length": 4355, "contentType": "chemical/x-pdb", "metadata": {"project": "683f3fd4e82f4ec7d5ececad", "md": 0}}]}