NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
648100 | 6ocv | 27284 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6ocv save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 20 _NOE_completeness_stats.Residue_count 192 _NOE_completeness_stats.Total_atom_count 3091 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 1044 _NOE_completeness_stats.Use_intra_residue_restraints no _NOE_completeness_stats.Redundancy_threshold_pct 5.0 _NOE_completeness_stats.Distance_averaging_power 1.00 _NOE_completeness_stats.Completeness_cutoff 4.00 _NOE_completeness_stats.Completeness_cumulative_pct 54.0 _NOE_completeness_stats.Constraint_unexpanded_count 3249 _NOE_completeness_stats.Constraint_count 3249 _NOE_completeness_stats.Constraint_exp_unfiltered_count 2377 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 194 _NOE_completeness_stats.Constraint_intraresidue_count 145 _NOE_completeness_stats.Constraint_surplus_count 121 _NOE_completeness_stats.Constraint_observed_count 2789 _NOE_completeness_stats.Constraint_expected_count 2303 _NOE_completeness_stats.Constraint_matched_count 1244 _NOE_completeness_stats.Constraint_unmatched_count 1545 _NOE_completeness_stats.Constraint_exp_nonobs_count 1059 _NOE_completeness_stats.Details ; A detailed methodology description is available at: http://nmr.cmbi.ru.nl/~jd/wattos/doc/Wattos/Soup/Constraint/dc_completeness.html Please note that the contributions in ambiguous restraints are considered separate 'restraints' for the sets defined below. The cut off for all statistics except those in the by-shell table is given below by the above tag: _NOE_completeness_stats.Completeness_cutoff Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * Number of models * 5 * Number of residues * 6 * Number of atoms * 7 * Standard set name of observable atom definitions see: Doreleijers et al., J.Biomol.NMR 14, 123-132 (1999). * 8 * Observable atom(group)s * 9 * Include intra residue restraints * 10 * Surplus threshold for determining redundant restraints * 11 * Power for averaging the distance over models * 12 * Up to what distance are NOEs expected * 13 * Cumulative completeness percentage * 14 * Number of unexpanded restraints in restraint list. * 15 * Number of restraints in restraint list. Set U * 16 * Expected restraints based on criteria in list. Set V Set V differs from set B only if intra residue restraints are analyzed. * 17 * Exceptional restraints, i.e. with an unknown atom.Set E * 18 * Not observable NOEs with e.g. hydroxyl Ser HG. Set O Even though restraints with these atom types might have been observed they are excluded from the analysis. * 19 * Intra-residue restraints if not to be analyzed. Set I * 20 * Surplus like double restraints. Set S * 21 * Observed restraints. Set A = U - (E u O u I u S) * 22 * Expected restraints based on criteria as in A. Set B = V - (I u S) * 23 * Observed restraints matched to the expected. Set M = A n B * 24 * Observed restraints that were not expected. Set C = A - M * 25 * Expected restraints that were not observed. Set D = B - M * 26 * This tag Description of the tags in the class table: * 1 * Class of restraint. Note that 'medium-range' involves (2<=i<=4) contacts. Possible values are: intraresidue,sequential,medium-range,long-range, and intermolecular. * 2 * Observed restraints. Set A = U - (E u O u I u S) * 3 * Expected restraints based on criteria as in A. Set B = V - (I u S) * 4 * Observed restraints matched to the expected. Set M = A n B * 5 * Completeness percentage * 6 * Standard deviation from the average over the classes. * 7 * Extra information * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the shell table. The first row shows the lower limit of the shells requested and The last row shows the total number of restraints over the shells. * 1 * Description of the content of the row: edges, shell, or sums. The value determines the meaning of the values to the nine 'Matched_shell_x' tags among others. * 2 * Lower limit of shell of expected restraints. * 3 * Upper limit of shell of expected restraints. * 4 * Expected restraints based on criteria as in A. Set B = V - (I u S) * 5 * Observed restraints matched to the expected. Set M = A n B * 6 * Matched restraints with experimental distance in shell 1 * 7 * Matched restraints with experimental distance in shell 2 * 8 * Matched restraints with experimental distance in shell 3 * 9 * Matched restraints with experimental distance in shell 4 * 10 * Matched restraints with experimental distance in shell 5 * 11 * Matched restraints with experimental distance in shell 6 * 12 * Matched restraints with experimental distance in shell 7 * 13 * Matched restraints with experimental distance in shell 8 * 14 * Matched restraints with experimental distance in shell 9 * 15 * Matched restraints overflowing the last shell * 16 * Completeness percentage for this shell * 17 * Completeness percentage up to upper limit of this shell * 18 * Administrative tag * 19 * Administrative tag Description of the tags in the residue table: * 1 * Chain identifier * 2 * Residue number * 3 * Residue name * 4 * Observable atom(group)s for this residue. * 5 * Observed restraints. Set A = U - (E u O u I u S) * 6 * Expected restraints based on criteria as in A. Set B = V - (I u S) * 7 * Observed restraints matched to the expected. Set M = A n B * 8 * Completeness percentage * 9 * Standard deviation from the average over the residues. * 10 * Extra information * 11 * Administrative tag * 12 * Administrative tag ; loop_ _NOE_completeness_class.Type _NOE_completeness_class.Constraint_observed_count _NOE_completeness_class.Constraint_expected_count _NOE_completeness_class.Constraint_matched_count _NOE_completeness_class.Completeness_cumulative_pct _NOE_completeness_class.Std_dev _NOE_completeness_class.Details intraresidue 0 0 0 . . "no intras" sequential 930 850 555 65.3 1.0 >sigma medium-range 921 715 347 48.5 -0.4 . long-range 938 738 342 46.3 -0.6 . intermolecular 0 0 0 . . "no multimer" stop_ loop_ _NOE_completeness_shell.Type _NOE_completeness_shell.Shell_start _NOE_completeness_shell.Shell_end _NOE_completeness_shell.Constraint_expected_count _NOE_completeness_shell.Constraint_matched_count _NOE_completeness_shell.Matched_shell_1 _NOE_completeness_shell.Matched_shell_2 _NOE_completeness_shell.Matched_shell_3 _NOE_completeness_shell.Matched_shell_4 _NOE_completeness_shell.Matched_shell_5 _NOE_completeness_shell.Matched_shell_6 _NOE_completeness_shell.Matched_shell_7 _NOE_completeness_shell.Matched_shell_8 _NOE_completeness_shell.Matched_shell_9 _NOE_completeness_shell.Matched_shell_overflow _NOE_completeness_shell.Completeness_shell_pct _NOE_completeness_shell.Completeness_cumulative_pct edges . . . . 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 . . . . shell 0.00 2.00 28 15 0 0 0 2 1 3 7 1 . 1 53.6 53.6 shell 2.00 2.50 179 129 0 0 2 18 42 33 25 8 . 1 72.1 69.6 shell 2.50 3.00 434 290 0 0 1 14 51 86 100 30 . 8 66.8 67.7 shell 3.00 3.50 614 318 0 0 1 9 39 117 94 38 . 20 51.8 59.9 shell 3.50 4.00 1048 492 0 0 0 2 48 145 161 74 . 62 46.9 54.0 shell 4.00 4.50 1612 512 0 0 0 0 32 89 161 148 . 82 31.8 44.9 shell 4.50 5.00 2198 452 0 0 0 0 5 71 122 145 . 109 20.6 36.1 shell 5.00 5.50 2719 344 0 0 0 0 0 10 114 127 . 93 12.7 28.9 shell 5.50 6.00 3113 174 0 0 0 0 0 0 20 98 . 56 5.6 22.8 shell 6.00 6.50 3428 49 0 0 0 0 0 0 0 11 . 38 1.4 18.1 shell 6.50 7.00 3672 13 0 0 0 0 0 0 0 0 . 13 0.4 14.6 shell 7.00 7.50 4009 1 0 0 0 0 0 0 0 0 . 1 0.0 12.1 shell 7.50 8.00 4438 0 0 0 0 0 0 0 0 0 . 0 0.0 10.1 shell 8.00 8.50 4813 0 0 0 0 0 0 0 0 0 . 0 0.0 8.6 shell 8.50 9.00 5052 0 0 0 0 0 0 0 0 0 . 0 0.0 7.5 sums . . 37357 2789 0 0 4 45 218 554 804 680 . 484 . . stop_ loop_ _NOE_completeness_comp.Entity_assembly_ID _NOE_completeness_comp.Comp_index_ID _NOE_completeness_comp.Comp_ID _NOE_completeness_comp.Obs_atom_count _NOE_completeness_comp.Constraint_observed_count _NOE_completeness_comp.Constraint_expected_count _NOE_completeness_comp.Constraint_matched_count _NOE_completeness_comp.Completeness_cumulative_pct _NOE_completeness_comp.Std_dev _NOE_completeness_comp.Details 1 1 MET 6 7 20 3 15.0 -2.3 >sigma 1 2 MET 6 23 36 9 25.0 -1.7 >sigma 1 3 GLY 3 28 18 7 38.9 -0.9 . 1 4 MET 6 38 35 13 37.1 -1.0 >sigma 1 5 VAL 5 41 36 18 50.0 -0.3 . 1 6 PHE 7 40 38 21 55.3 -0.0 . 1 7 THR 4 30 19 14 73.7 1.0 >sigma 1 8 GLY 3 22 16 10 62.5 0.4 . 1 9 LEU 7 64 53 33 62.3 0.4 . 1 10 MET 6 51 37 21 56.8 0.1 . 1 11 GLU 5 29 16 11 68.8 0.8 . 1 12 LEU 7 51 45 17 37.8 -1.0 . 1 13 ILE 6 83 56 30 53.6 -0.1 . 1 14 GLU 5 45 32 20 62.5 0.4 . 1 15 ASP 4 18 13 8 61.5 0.4 . 1 16 GLU 5 32 19 15 78.9 1.3 >sigma 1 17 PHE 7 47 22 20 90.9 2.0 >sigma 1 18 GLY 3 26 10 9 90.0 2.0 >sigma 1 19 TYR 6 28 24 16 66.7 0.6 . 1 20 GLU 5 23 16 12 75.0 1.1 >sigma 1 21 THR 4 38 27 17 63.0 0.4 . 1 22 LEU 7 46 55 25 45.5 -0.6 . 1 23 ASP 4 26 16 10 62.5 0.4 . 1 24 THR 4 40 24 21 87.5 1.8 >sigma 1 25 LEU 7 65 58 29 50.0 -0.3 . 1 26 LEU 7 38 29 12 41.4 -0.8 . 1 27 GLU 5 26 19 12 63.2 0.4 . 1 28 SER 4 24 24 11 45.8 -0.5 . 1 29 CYS 4 17 16 8 50.0 -0.3 . 1 30 GLU 5 9 14 4 28.6 -1.5 >sigma 1 31 LEU 7 27 22 7 31.8 -1.3 >sigma 1 32 GLN 7 10 13 8 61.5 0.4 . 1 33 SER 4 16 17 11 64.7 0.5 . 1 34 GLU 5 14 15 7 46.7 -0.5 . 1 35 GLY 3 23 15 10 66.7 0.6 . 1 36 ILE 6 23 19 9 47.4 -0.5 . 1 37 TYR 6 19 15 7 46.7 -0.5 . 1 38 THR 4 8 13 5 38.5 -1.0 . 1 39 SER 4 16 17 5 29.4 -1.5 >sigma 1 40 VAL 5 14 18 7 38.9 -0.9 . 1 41 GLY 3 13 13 8 61.5 0.4 . 1 42 SER 4 19 16 8 50.0 -0.3 . 1 43 TYR 6 25 28 8 28.6 -1.5 >sigma 1 44 ASP 4 13 15 9 60.0 0.3 . 1 45 HIS 6 15 16 8 50.0 -0.3 . 1 46 GLN 7 18 18 10 55.6 0.0 . 1 47 GLU 5 32 33 14 42.4 -0.7 . 1 48 LEU 7 53 26 17 65.4 0.6 . 1 49 LEU 7 30 27 15 55.6 0.0 . 1 50 GLN 7 28 25 13 52.0 -0.2 . 1 51 LEU 7 54 49 23 46.9 -0.5 . 1 52 VAL 5 50 38 23 60.5 0.3 . 1 53 VAL 5 28 27 13 48.1 -0.4 . 1 54 LYS 7 46 47 25 53.2 -0.1 . 1 55 LEU 7 67 58 33 56.9 0.1 . 1 56 SER 4 32 16 9 56.3 0.1 . 1 57 GLU 5 24 16 9 56.3 0.1 . 1 58 VAL 5 42 37 20 54.1 -0.1 . 1 59 SER 4 33 21 15 71.4 0.9 . 1 60 SER 4 14 12 6 50.0 -0.3 . 1 61 VAL 5 37 31 18 58.1 0.2 . 1 62 PRO 5 28 23 14 60.9 0.3 . 1 63 VAL 5 38 24 17 70.8 0.9 . 1 64 THR 4 37 20 16 80.0 1.4 >sigma 1 65 GLU 5 32 19 12 63.2 0.4 . 1 66 LEU 7 51 52 22 42.3 -0.7 . 1 67 VAL 5 52 39 20 51.3 -0.2 . 1 68 ARG 7 25 22 10 45.5 -0.6 . 1 69 LEU 7 23 27 7 25.9 -1.7 >sigma 1 70 PHE 7 48 44 25 56.8 0.1 . 1 71 GLY 3 28 17 12 70.6 0.9 . 1 72 LYS 7 16 30 7 23.3 -1.8 >sigma 1 73 LYS 7 22 25 11 44.0 -0.6 . 1 74 LEU 7 58 43 27 62.8 0.4 . 1 75 PHE 7 27 46 13 28.3 -1.5 >sigma 1 76 VAL 5 40 32 15 46.9 -0.5 . 1 77 GLU 5 32 25 18 72.0 0.9 . 1 78 LEU 7 41 33 15 45.5 -0.6 . 1 79 ILE 6 59 45 27 60.0 0.3 . 1 80 GLU 5 29 18 15 83.3 1.6 >sigma 1 81 GLY 3 10 12 7 58.3 0.2 . 1 82 HIS 6 34 26 17 65.4 0.6 . 1 83 PRO 5 13 13 7 53.8 -0.1 . 1 84 GLU 5 20 21 12 57.1 0.1 . 1 85 ILE 6 48 35 24 68.6 0.8 . 1 86 ALA 3 34 23 17 73.9 1.1 >sigma 1 87 ASN 6 27 15 13 86.7 1.8 >sigma 1 88 GLU 5 22 21 11 52.4 -0.2 . 1 89 MET 6 55 37 25 67.6 0.7 . 1 90 LYS 7 25 17 10 58.8 0.2 . 1 91 ASP 4 32 23 18 78.3 1.3 >sigma 1 92 SER 4 18 15 7 46.7 -0.5 . 1 93 PHE 7 37 36 14 38.9 -0.9 . 1 94 ASP 4 28 25 15 60.0 0.3 . 1 95 LEU 7 52 50 27 54.0 -0.1 . 1 96 LEU 7 44 40 18 45.0 -0.6 . 1 97 SER 4 17 11 8 72.7 1.0 . 1 98 LYS 7 37 34 15 44.1 -0.6 . 1 99 ILE 6 42 35 19 54.3 -0.1 . 1 100 ASP 4 17 13 9 69.2 0.8 . 1 101 SER 4 11 13 7 53.8 -0.1 . 1 102 PHE 7 27 30 12 40.0 -0.9 . 1 103 ILE 6 44 34 17 50.0 -0.3 . 1 104 HIS 6 25 26 16 61.5 0.4 . 1 105 VAL 5 30 28 17 60.7 0.3 . 1 106 GLU 5 25 20 10 50.0 -0.3 . 1 107 VAL 5 42 30 17 56.7 0.1 . 1 108 TYR 6 35 22 14 63.6 0.5 . 1 109 LYS 7 29 22 13 59.1 0.2 . 1 110 LEU 7 26 24 13 54.2 -0.1 . 1 111 TYR 6 36 24 13 54.2 -0.1 . 1 112 PRO 5 10 12 5 41.7 -0.8 . 1 113 GLN 7 17 21 11 52.4 -0.2 . 1 114 ALA 3 30 15 10 66.7 0.6 . 1 115 GLU 5 9 7 6 85.7 1.7 >sigma 1 116 LEU 7 15 21 7 33.3 -1.3 >sigma 1 117 PRO 5 5 23 4 17.4 -2.2 >sigma 1 118 LYS 7 18 13 7 53.8 -0.1 . 1 119 PHE 7 31 22 12 54.5 -0.0 . 1 120 THR 4 14 14 6 42.9 -0.7 . 1 121 CYS 4 16 7 4 57.1 0.1 . 1 122 ASP 4 23 20 11 55.0 -0.0 . 1 123 ARG 7 22 17 9 52.9 -0.1 . 1 124 LEU 7 39 29 16 55.2 -0.0 . 1 125 GLY 3 24 14 9 64.3 0.5 . 1 126 ASP 4 5 8 3 37.5 -1.0 >sigma 1 127 ASN 6 24 21 12 57.1 0.1 . 1 128 ASP 4 39 19 15 78.9 1.3 >sigma 1 129 ILE 6 63 41 27 65.9 0.6 . 1 130 ARG 7 67 42 25 59.5 0.2 . 1 131 LEU 7 75 53 26 49.1 -0.4 . 1 132 HIS 6 36 28 15 53.6 -0.1 . 1 133 TYR 6 29 39 10 25.6 -1.7 >sigma 1 134 GLN 7 27 20 11 55.0 -0.0 . 1 135 SER 4 15 23 5 21.7 -1.9 >sigma 1 136 LYS 7 10 16 4 25.0 -1.7 >sigma 1 137 ARG 7 5 16 3 18.8 -2.1 >sigma 1 138 PRO 5 10 23 5 21.7 -1.9 >sigma 1 139 PHE 7 22 15 5 33.3 -1.3 >sigma 1 140 ALA 3 23 16 10 62.5 0.4 . 1 141 SER 4 17 21 8 38.1 -1.0 . 1 142 PHE 7 30 32 13 40.6 -0.8 . 1 143 ALA 3 25 23 14 60.9 0.3 . 1 144 GLU 5 30 31 20 64.5 0.5 . 1 145 GLY 3 18 14 8 57.1 0.1 . 1 146 LEU 7 24 31 12 38.7 -0.9 . 1 147 LEU 7 44 39 17 43.6 -0.7 . 1 148 ASP 4 36 18 15 83.3 1.6 >sigma 1 149 GLY 3 20 21 9 42.9 -0.7 . 1 150 CYS 4 24 22 11 50.0 -0.3 . 1 151 ALA 3 40 24 21 87.5 1.8 >sigma 1 152 GLU 5 25 28 14 50.0 -0.3 . 1 153 TYR 6 27 28 14 50.0 -0.3 . 1 154 PHE 7 47 28 17 60.7 0.3 . 1 155 LYS 7 14 10 7 70.0 0.8 . 1 156 GLU 5 22 19 12 63.2 0.4 . 1 157 ASP 4 14 11 8 72.7 1.0 . 1 158 PHE 7 39 36 20 55.6 0.0 . 1 159 THR 4 22 18 12 66.7 0.6 . 1 160 ILE 6 65 49 33 67.3 0.7 . 1 161 SER 4 30 20 11 55.0 -0.0 . 1 162 ARG 7 28 24 12 50.0 -0.3 . 1 163 THR 4 40 20 18 90.0 2.0 >sigma 1 164 PRO 5 21 15 13 86.7 1.8 >sigma 1 165 GLU 5 20 15 11 73.3 1.0 >sigma 1 166 THR 4 36 28 15 53.6 -0.1 . 1 167 GLN 7 40 23 15 65.2 0.6 . 1 168 ASP 4 17 8 6 75.0 1.1 >sigma 1 169 SER 4 19 14 7 50.0 -0.3 . 1 170 GLU 5 11 15 5 33.3 -1.3 >sigma 1 171 THR 4 12 25 9 36.0 -1.1 >sigma 1 172 ASP 4 20 17 10 58.8 0.2 . 1 173 VAL 5 40 33 16 48.5 -0.4 . 1 174 ILE 6 49 27 21 77.8 1.3 >sigma 1 175 PHE 7 68 51 28 54.9 -0.0 . 1 176 ASN 6 33 20 13 65.0 0.5 . 1 177 ILE 6 88 54 44 81.5 1.5 >sigma 1 178 THR 4 38 15 15 100.0 2.5 >sigma 1 179 ARG 7 34 33 11 33.3 -1.3 >sigma 1 180 ALA 3 27 10 8 80.0 1.4 >sigma 1 181 PRO 5 16 8 8 100.0 2.5 >sigma 1 182 ARG 7 21 14 7 50.0 -0.3 . 1 183 GLY 3 8 7 5 71.4 0.9 . 1 184 ALA 3 6 6 6 100.0 2.5 >sigma 1 185 GLU 5 7 6 5 83.3 1.6 >sigma 1 186 ASN 6 7 5 3 60.0 0.3 . 1 187 LEU 7 6 7 4 57.1 0.1 . 1 188 TYR 6 4 14 3 21.4 -1.9 >sigma 1 189 PHE 7 0 14 0 0.0 -3.1 >sigma 1 190 GLN 7 0 5 0 0.0 -3.1 >sigma stop_ save_
Contact the webmaster for help, if required. Thursday, June 27, 2024 5:48:33 PM GMT (wattos1)