NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
483564 | 1yho | 5981 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_1yho save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 25 _NOE_completeness_stats.Residue_count 188 _NOE_completeness_stats.Total_atom_count 3130 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 1066 _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 36.7 _NOE_completeness_stats.Constraint_unexpanded_count 1800 _NOE_completeness_stats.Constraint_count 1836 _NOE_completeness_stats.Constraint_exp_unfiltered_count 2661 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 102 _NOE_completeness_stats.Constraint_intraresidue_count 211 _NOE_completeness_stats.Constraint_surplus_count 255 _NOE_completeness_stats.Constraint_observed_count 1268 _NOE_completeness_stats.Constraint_expected_count 2442 _NOE_completeness_stats.Constraint_matched_count 897 _NOE_completeness_stats.Constraint_unmatched_count 371 _NOE_completeness_stats.Constraint_exp_nonobs_count 1545 _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 642 745 493 66.2 1.0 >sigma medium-range 240 457 136 29.8 -0.4 . long-range 386 1240 268 21.6 -0.7 . 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 18 15 0 0 0 4 0 6 0 0 . 5 83.3 83.3 shell 2.00 2.50 275 181 0 0 0 44 0 117 0 2 . 18 65.8 66.9 shell 2.50 3.00 402 205 0 0 0 7 0 154 0 3 . 41 51.0 57.7 shell 3.00 3.50 707 234 0 0 0 3 0 127 0 4 . 100 33.1 45.3 shell 3.50 4.00 1040 262 0 0 0 0 0 80 0 2 . 180 25.2 36.7 shell 4.00 4.50 1819 230 0 0 0 0 0 23 0 0 . 207 12.6 26.4 shell 4.50 5.00 2400 109 0 0 0 0 0 1 0 5 . 103 4.5 18.6 shell 5.00 5.50 3068 25 0 0 0 0 0 0 0 1 . 24 0.8 13.0 shell 5.50 6.00 3709 6 0 0 0 0 0 0 0 0 . 6 0.2 9.4 shell 6.00 6.50 4061 1 0 0 0 0 0 0 0 0 . 1 0.0 7.2 shell 6.50 7.00 4473 0 0 0 0 0 0 0 0 0 . 0 0.0 5.8 shell 7.00 7.50 4935 0 0 0 0 0 0 0 0 0 . 0 0.0 4.7 shell 7.50 8.00 5365 0 0 0 0 0 0 0 0 0 . 0 0.0 3.9 shell 8.00 8.50 5692 0 0 0 0 0 0 0 0 0 . 0 0.0 3.3 shell 8.50 9.00 6217 0 0 0 0 0 0 0 0 0 . 0 0.0 2.9 sums . . 44181 1268 0 0 0 58 0 508 0 17 . 685 . . 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 VAL 5 3 9 3 33.3 -0.5 . 1 2 GLY 3 6 8 6 75.0 2.0 >sigma 1 3 SER 4 7 14 6 42.9 0.0 . 1 4 LEU 7 8 39 5 12.8 -1.8 >sigma 1 5 ASN 6 6 25 4 16.0 -1.6 >sigma 1 6 CYS 4 15 34 12 35.3 -0.4 . 1 7 ILE 6 16 56 13 23.2 -1.1 >sigma 1 8 VAL 5 16 36 11 30.6 -0.7 . 1 9 ALA 3 16 23 14 60.9 1.1 >sigma 1 10 VAL 5 24 40 15 37.5 -0.3 . 1 11 SER 4 32 29 16 55.2 0.8 . 1 12 GLN 7 15 23 10 43.5 0.1 . 1 13 ASN 6 13 12 7 58.3 1.0 . 1 14 MET 6 13 14 6 42.9 0.0 . 1 15 GLY 3 15 22 8 36.4 -0.4 . 1 16 ILE 6 16 39 13 33.3 -0.5 . 1 17 GLY 3 17 21 10 47.6 0.3 . 1 18 LYS 7 11 29 8 27.6 -0.9 . 1 19 ASN 6 7 9 3 33.3 -0.5 . 1 20 GLY 3 5 9 3 33.3 -0.5 . 1 21 ASP 4 5 9 3 33.3 -0.5 . 1 22 LEU 7 17 24 11 45.8 0.2 . 1 23 PRO 5 7 35 7 20.0 -1.3 >sigma 1 24 TRP 10 31 65 22 33.8 -0.5 . 1 25 PRO 5 8 16 8 50.0 0.5 . 1 26 PRO 5 7 8 5 62.5 1.2 >sigma 1 27 LEU 7 22 62 20 32.3 -0.6 . 1 28 ARG 7 8 12 8 66.7 1.5 >sigma 1 29 ASN 6 14 30 11 36.7 -0.3 . 1 30 GLU 5 11 34 9 26.5 -0.9 . 1 31 PHE 7 20 21 14 66.7 1.5 >sigma 1 32 ARG 7 15 16 10 62.5 1.2 >sigma 1 33 TYR 6 15 32 13 40.6 -0.1 . 1 34 PHE 7 15 39 12 30.8 -0.7 . 1 35 GLN 7 9 20 9 45.0 0.2 . 1 36 ARG 7 13 22 11 50.0 0.5 . 1 37 MET 6 15 31 13 41.9 -0.0 . 1 38 THR 4 10 22 6 27.3 -0.9 . 1 39 THR 4 7 12 7 58.3 1.0 . 1 40 THR 4 7 11 5 45.5 0.2 . 1 41 SER 4 9 11 5 45.5 0.2 . 1 42 SER 4 7 10 7 70.0 1.7 >sigma 1 43 VAL 5 11 24 7 29.2 -0.8 . 1 44 GLU 5 8 8 6 75.0 2.0 >sigma 1 45 GLY 3 7 6 5 83.3 2.4 >sigma 1 46 LYS 7 5 24 3 12.5 -1.8 >sigma 1 47 GLN 7 8 18 6 33.3 -0.5 . 1 48 ASN 6 16 20 11 55.0 0.8 . 1 49 LEU 7 14 56 8 14.3 -1.7 >sigma 1 50 VAL 5 16 43 12 27.9 -0.9 . 1 51 ILE 6 15 59 13 22.0 -1.2 >sigma 1 52 MET 6 19 50 15 30.0 -0.7 . 1 53 GLY 3 13 20 10 50.0 0.5 . 1 54 LYS 7 10 26 6 23.1 -1.1 >sigma 1 55 LYS 7 9 14 7 50.0 0.5 . 1 56 THR 4 14 29 10 34.5 -0.5 . 1 57 TRP 10 37 73 29 39.7 -0.2 . 1 58 PHE 7 22 26 15 57.7 0.9 . 1 59 SER 4 14 16 10 62.5 1.2 >sigma 1 60 ILE 6 20 47 14 29.8 -0.7 . 1 61 PRO 5 10 22 8 36.4 -0.4 . 1 62 GLU 5 11 14 8 57.1 0.9 . 1 63 LYS 7 12 16 8 50.0 0.5 . 1 64 ASN 6 18 26 15 57.7 0.9 . 1 65 ARG 7 14 43 11 25.6 -1.0 . 1 66 PRO 5 5 13 5 38.5 -0.2 . 1 67 LEU 7 12 26 9 34.6 -0.5 . 1 68 LYS 7 5 8 3 37.5 -0.3 . 1 69 GLY 3 2 9 2 22.2 -1.2 >sigma 1 70 ARG 7 6 30 6 20.0 -1.3 >sigma 1 71 ILE 6 19 44 14 31.8 -0.6 . 1 72 ASN 6 12 33 9 27.3 -0.9 . 1 73 LEU 7 24 64 18 28.1 -0.8 . 1 74 VAL 5 29 47 20 42.6 0.0 . 1 75 LEU 7 25 45 15 33.3 -0.5 . 1 76 SER 4 22 24 12 50.0 0.5 . 1 77 ARG 7 8 14 5 35.7 -0.4 . 1 78 GLU 5 7 9 5 55.6 0.8 . 1 79 LEU 7 21 32 15 46.9 0.3 . 1 80 LYS 7 10 8 7 87.5 2.7 >sigma 1 81 GLU 5 14 13 8 61.5 1.1 >sigma 1 82 PRO 5 13 30 8 26.7 -0.9 . 1 83 PRO 5 16 34 14 41.2 -0.1 . 1 84 GLN 7 10 7 7 100.0 3.4 >sigma 1 85 GLY 3 9 12 7 58.3 1.0 . 1 86 ALA 3 28 30 20 66.7 1.5 >sigma 1 87 HIS 6 13 23 8 34.8 -0.5 . 1 88 PHE 7 21 32 12 37.5 -0.3 . 1 89 LEU 7 36 60 24 40.0 -0.1 . 1 90 SER 4 20 25 12 48.0 0.3 . 1 91 ARG 7 11 17 8 47.1 0.3 . 1 92 SER 4 19 18 13 72.2 1.8 >sigma 1 93 LEU 7 18 47 13 27.7 -0.9 . 1 94 ASP 4 19 16 12 75.0 2.0 >sigma 1 95 ASP 4 12 22 11 50.0 0.5 . 1 96 ALA 3 21 34 15 44.1 0.1 . 1 97 LEU 7 13 35 9 25.7 -1.0 . 1 98 LYS 7 11 14 7 50.0 0.5 . 1 99 LEU 7 15 29 8 27.6 -0.9 . 1 100 THR 4 13 28 8 28.6 -0.8 . 1 101 GLU 5 7 13 7 53.8 0.7 . 1 102 GLN 7 7 23 4 17.4 -1.5 >sigma 1 103 PRO 5 6 13 5 38.5 -0.2 . 1 104 GLU 5 7 15 6 40.0 -0.1 . 1 105 LEU 7 11 45 9 20.0 -1.3 >sigma 1 106 ALA 3 14 18 10 55.6 0.8 . 1 107 ASN 6 9 11 9 81.8 2.4 >sigma 1 108 LYS 7 11 13 7 53.8 0.7 . 1 109 VAL 5 15 47 13 27.7 -0.9 . 1 110 ASP 4 10 21 9 42.9 0.0 . 1 111 MET 6 17 28 16 57.1 0.9 . 1 112 VAL 5 13 46 9 19.6 -1.4 >sigma 1 113 TRP 10 26 45 19 42.2 -0.0 . 1 114 ILE 6 14 55 10 18.2 -1.4 >sigma 1 115 VAL 5 15 40 10 25.0 -1.0 >sigma 1 116 GLY 3 11 20 6 30.0 -0.7 . 1 117 GLY 3 11 16 9 56.3 0.8 . 1 118 SER 4 11 15 7 46.7 0.3 . 1 119 SER 4 11 13 8 61.5 1.1 >sigma 1 120 VAL 5 21 43 14 32.6 -0.6 . 1 121 TYR 6 17 45 13 28.9 -0.8 . 1 122 LYS 7 11 22 7 31.8 -0.6 . 1 123 GLU 5 15 23 11 47.8 0.3 . 1 124 ALA 3 17 27 9 33.3 -0.5 . 1 125 MET 6 15 33 13 39.4 -0.2 . 1 126 ASN 6 12 9 6 66.7 1.5 >sigma 1 127 HIS 6 12 22 6 27.3 -0.9 . 1 128 PRO 5 5 9 5 55.6 0.8 . 1 129 GLY 3 4 7 4 57.1 0.9 . 1 130 HIS 6 6 6 4 66.7 1.5 >sigma 1 131 LEU 7 10 51 8 15.7 -1.6 >sigma 1 132 LYS 7 9 33 7 21.2 -1.3 >sigma 1 133 LEU 7 17 55 12 21.8 -1.2 >sigma 1 134 PHE 7 16 57 13 22.8 -1.2 >sigma 1 135 VAL 5 14 31 10 32.3 -0.6 . 1 136 THR 4 22 28 18 64.3 1.3 >sigma 1 137 ARG 7 8 15 6 40.0 -0.1 . 1 138 ILE 6 31 54 22 40.7 -0.1 . 1 139 MET 6 14 18 11 61.1 1.1 >sigma 1 140 GLN 7 14 26 8 30.8 -0.7 . 1 141 ASP 4 7 6 4 66.7 1.5 >sigma 1 142 PHE 7 24 40 14 35.0 -0.4 . 1 143 GLU 5 9 11 6 54.5 0.7 . 1 144 SER 4 14 20 9 45.0 0.2 . 1 145 ASP 4 9 17 7 41.2 -0.1 . 1 146 THR 4 16 20 10 50.0 0.5 . 1 147 PHE 7 10 15 7 46.7 0.3 . 1 148 PHE 7 14 46 12 26.1 -1.0 . 1 149 PRO 5 4 15 4 26.7 -0.9 . 1 150 GLU 5 6 8 5 62.5 1.2 >sigma 1 151 ILE 6 14 34 9 26.5 -0.9 . 1 152 ASP 4 13 16 8 50.0 0.5 . 1 153 LEU 7 14 20 9 45.0 0.2 . 1 154 GLU 5 9 12 9 75.0 2.0 >sigma 1 155 LYS 7 12 19 11 57.9 0.9 . 1 156 TYR 6 27 50 18 36.0 -0.4 . 1 157 LYS 7 10 20 7 35.0 -0.4 . 1 158 LEU 7 18 30 11 36.7 -0.3 . 1 159 LEU 7 18 40 9 22.5 -1.2 >sigma 1 160 PRO 5 5 20 5 25.0 -1.0 >sigma 1 161 GLU 5 8 15 5 33.3 -0.5 . 1 162 TYR 6 20 37 13 35.1 -0.4 . 1 163 PRO 5 7 10 5 50.0 0.5 . 1 164 GLY 3 5 6 4 66.7 1.5 >sigma 1 165 VAL 5 22 36 13 36.1 -0.4 . 1 166 LEU 7 11 24 7 29.2 -0.8 . 1 167 SER 4 11 11 6 54.5 0.7 . 1 168 ASP 4 14 12 8 66.7 1.5 >sigma 1 169 VAL 5 13 26 7 26.9 -0.9 . 1 170 GLN 7 22 24 11 45.8 0.2 . 1 171 GLU 5 16 24 10 41.7 -0.0 . 1 172 GLU 5 19 33 13 39.4 -0.2 . 1 173 LYS 7 8 17 4 23.5 -1.1 >sigma 1 174 GLY 3 8 10 6 60.0 1.1 >sigma 1 175 ILE 6 24 47 17 36.2 -0.4 . 1 176 LYS 7 12 25 9 36.0 -0.4 . 1 177 TYR 6 37 54 25 46.3 0.2 . 1 178 LYS 7 13 27 11 40.7 -0.1 . 1 179 PHE 7 13 36 11 30.6 -0.7 . 1 180 GLU 5 11 20 8 40.0 -0.1 . 1 181 VAL 5 20 51 13 25.5 -1.0 >sigma 1 182 TYR 6 29 53 20 37.7 -0.3 . 1 183 GLU 5 9 27 7 25.9 -1.0 . 1 184 LYS 7 11 35 6 17.1 -1.5 >sigma 1 185 ASN 6 7 7 4 57.1 0.9 . 1 186 ASP 4 2 2 2 100.0 3.4 >sigma stop_ save_
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