PMC:2728203 / 40263-41257 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/2728203","sourcedb":"PMC","sourceid":"2728203","source_url":"https://www.ncbi.nlm.nih.gov/pmc/2728203","text":"Structural restraints\nNOE-derived distance restraints\nIntraresidue 439\nSequential 325\nMedium (2 ≤ ∣i − j∣ ≤ 4) 337\nLong (∣i − j∣\u003e 4) 140\nTotal 1241\n\u2028\u2028\nCross-peak intensity categories\nVery strong (0–2.3 Å) 23\nStrong (0–2.8 Å) 219\nMedium (0–3.5 Å) 641\nWeak (0–5.0 Å) 358\nTotal 1241\n\u2028\u2028\nStatistics for accepted structures\nNumber of accepted structures 45\nCNS energy terms (kcal mol− 1) (mean ± SD)\n E (total) 633.1 ± 11.3\n E (van der Waals) 307.5 ± 3.9\n E (distance restraints) 35.6 ± 3.9\nNo distance violations greater than 0.35 Å\nrmsd from the ideal geometry used within XPLOR\n Bond lengths (Å) 0.0065\n Bond angles (°) 0.68\n Improper angles (°) 0.37\nRamachandran statistics (%)\nResidues 4–84 Residues 4–99\nMost favored 93.5 94.0\nAdditionally allowed 6.1 5.6\nGenerously allowed 0.2 0.2\nDisallowed 0.2 0.1\nAtomic rmsd (Å) from the average structure (mean ± SD)\nResidues 4–84 Residues 4–99\nN, Cα, C atoms 0.41 ± 0.13 0.47 ± 0.13\nAll heavy atoms 0.92 ± 0.15 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