NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
524009 | 2lfu | 16679 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2lfu save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 10 _NOE_completeness_stats.Residue_count 193 _NOE_completeness_stats.Total_atom_count 2372 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 827 _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 0.0 _NOE_completeness_stats.Constraint_unexpanded_count 82 _NOE_completeness_stats.Constraint_count 82 _NOE_completeness_stats.Constraint_exp_unfiltered_count 1558 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 82 _NOE_completeness_stats.Constraint_intraresidue_count 0 _NOE_completeness_stats.Constraint_surplus_count 0 _NOE_completeness_stats.Constraint_observed_count 0 _NOE_completeness_stats.Constraint_expected_count 1558 _NOE_completeness_stats.Constraint_matched_count 0 _NOE_completeness_stats.Constraint_unmatched_count 0 _NOE_completeness_stats.Constraint_exp_nonobs_count 1558 _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 0 569 0 0.0 . >sigma medium-range 0 128 0 0.0 . >sigma long-range 0 861 0 0.0 . >sigma 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 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 2.00 2.50 191 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 2.50 3.00 249 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 3.00 3.50 442 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 3.50 4.00 658 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 4.00 4.50 1071 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 4.50 5.00 1618 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 5.00 5.50 1942 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 5.50 6.00 2212 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 6.00 6.50 2559 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 6.50 7.00 2900 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 7.00 7.50 3119 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 7.50 8.00 3253 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 8.00 8.50 3479 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 8.50 9.00 3855 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 sums . . 27566 0 0 0 0 0 0 0 0 0 . 0 . . 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 34 ASN 6 0 10 0 0.0 . >sigma 1 35 ILE 6 0 9 0 0.0 . >sigma 1 36 PHE 7 0 9 0 0.0 . >sigma 1 37 ALA 3 0 6 0 0.0 . >sigma 1 38 PRO 5 0 7 0 0.0 . >sigma 1 39 GLU 5 0 8 0 0.0 . >sigma 1 40 GLY 3 0 9 0 0.0 . >sigma 1 41 ASN 6 0 4 0 0.0 . >sigma 1 42 TYR 6 0 6 0 0.0 . >sigma 1 43 ARG 7 0 12 0 0.0 . >sigma 1 44 TYR 6 0 10 0 0.0 . >sigma 1 45 LEU 7 0 10 0 0.0 . >sigma 1 46 THR 4 0 10 0 0.0 . >sigma 1 47 TYR 6 0 12 0 0.0 . >sigma 1 48 GLY 3 0 7 0 0.0 . >sigma 1 49 ALA 3 0 16 0 0.0 . >sigma 1 50 GLU 5 0 7 0 0.0 . >sigma 1 51 LYS 7 0 12 0 0.0 . >sigma 1 52 LEU 7 0 21 0 0.0 . >sigma 1 53 PRO 5 0 9 0 0.0 . >sigma 1 54 GLY 3 0 5 0 0.0 . >sigma 1 55 GLY 3 0 6 0 0.0 . >sigma 1 56 SER 4 0 16 0 0.0 . >sigma 1 57 TYR 6 0 18 0 0.0 . >sigma 1 58 ALA 3 0 10 0 0.0 . >sigma 1 59 LEU 7 0 15 0 0.0 . >sigma 1 60 ARG 7 0 16 0 0.0 . >sigma 1 61 VAL 5 0 11 0 0.0 . >sigma 1 62 GLN 7 0 11 0 0.0 . >sigma 1 63 GLY 3 0 6 0 0.0 . >sigma 1 64 GLU 5 0 12 0 0.0 . >sigma 1 65 PRO 5 0 15 0 0.0 . >sigma 1 66 ALA 3 0 28 0 0.0 . >sigma 1 67 LYS 7 0 18 0 0.0 . >sigma 1 68 GLY 3 0 25 0 0.0 . >sigma 1 69 GLU 5 0 16 0 0.0 . >sigma 1 70 MET 6 0 18 0 0.0 . >sigma 1 71 LEU 7 0 42 0 0.0 . >sigma 1 72 ALA 3 0 15 0 0.0 . >sigma 1 73 GLY 3 0 13 0 0.0 . >sigma 1 74 THR 4 0 15 0 0.0 . >sigma 1 75 ALA 3 0 27 0 0.0 . >sigma 1 76 VAL 5 0 27 0 0.0 . >sigma 1 77 TYR 6 0 52 0 0.0 . >sigma 1 78 ASN 6 0 28 0 0.0 . >sigma 1 79 GLY 3 0 19 0 0.0 . >sigma 1 80 GLU 5 0 15 0 0.0 . >sigma 1 81 VAL 5 0 48 0 0.0 . >sigma 1 82 LEU 7 0 33 0 0.0 . >sigma 1 83 HIS 6 0 16 0 0.0 . >sigma 1 84 PHE 7 0 43 0 0.0 . >sigma 1 85 HIS 6 0 8 0 0.0 . >sigma 1 86 THR 4 0 6 0 0.0 . >sigma 1 87 GLU 5 0 7 0 0.0 . >sigma 1 88 ASN 6 0 8 0 0.0 . >sigma 1 89 GLY 3 0 7 0 0.0 . >sigma 1 90 ARG 7 0 7 0 0.0 . >sigma 1 91 PRO 5 0 9 0 0.0 . >sigma 1 92 TYR 6 0 8 0 0.0 . >sigma 1 93 PRO 5 0 17 0 0.0 . >sigma 1 94 THR 4 0 9 0 0.0 . >sigma 1 95 ARG 7 0 14 0 0.0 . >sigma 1 96 GLY 3 0 18 0 0.0 . >sigma 1 97 ARG 7 0 18 0 0.0 . >sigma 1 98 PHE 7 0 66 0 0.0 . >sigma 1 99 ALA 3 0 21 0 0.0 . >sigma 1 100 ALA 3 0 31 0 0.0 . >sigma 1 101 LYS 7 0 16 0 0.0 . >sigma 1 102 VAL 5 0 55 0 0.0 . >sigma 1 103 ASP 4 0 22 0 0.0 . >sigma 1 104 PHE 7 0 59 0 0.0 . >sigma 1 105 GLY 3 0 11 0 0.0 . >sigma 1 106 SER 4 0 17 0 0.0 . >sigma 1 107 LYS 7 0 36 0 0.0 . >sigma 1 108 SER 4 0 22 0 0.0 . >sigma 1 109 VAL 5 0 55 0 0.0 . >sigma 1 110 ASP 4 0 25 0 0.0 . >sigma 1 111 GLY 3 0 24 0 0.0 . >sigma 1 112 ILE 6 0 37 0 0.0 . >sigma 1 113 ILE 6 0 53 0 0.0 . >sigma 1 114 ASP 4 0 20 0 0.0 . >sigma 1 115 SER 4 0 13 0 0.0 . >sigma 1 116 GLY 3 0 9 0 0.0 . >sigma 1 117 ASP 4 0 10 0 0.0 . >sigma 1 118 ASP 4 0 13 0 0.0 . >sigma 1 119 LEU 7 0 10 0 0.0 . >sigma 1 120 HIS 6 0 10 0 0.0 . >sigma 1 121 MET 6 0 11 0 0.0 . >sigma 1 122 GLY 3 0 11 0 0.0 . >sigma 1 123 THR 4 0 14 0 0.0 . >sigma 1 124 GLN 7 0 13 0 0.0 . >sigma 1 125 LYS 7 0 25 0 0.0 . >sigma 1 126 PHE 7 0 69 0 0.0 . >sigma 1 127 LYS 7 0 21 0 0.0 . >sigma 1 128 ALA 3 0 29 0 0.0 . >sigma 1 129 ALA 3 0 14 0 0.0 . >sigma 1 130 ILE 6 0 75 0 0.0 . >sigma 1 131 ASP 4 0 11 0 0.0 . >sigma 1 132 GLY 3 0 9 0 0.0 . >sigma 1 133 ASN 6 0 26 0 0.0 . >sigma 1 134 GLY 3 0 18 0 0.0 . >sigma 1 135 PHE 7 0 62 0 0.0 . >sigma 1 136 LYS 7 0 19 0 0.0 . >sigma 1 137 GLY 3 0 18 0 0.0 . >sigma 1 138 THR 4 0 16 0 0.0 . >sigma 1 139 TRP 10 0 52 0 0.0 . >sigma 1 140 THR 4 0 15 0 0.0 . >sigma 1 141 GLU 5 0 11 0 0.0 . >sigma 1 142 ASN 6 0 9 0 0.0 . >sigma 1 143 GLY 3 0 8 0 0.0 . >sigma 1 144 GLY 3 0 6 0 0.0 . >sigma 1 145 GLY 3 0 12 0 0.0 . >sigma 1 146 ASP 4 0 10 0 0.0 . >sigma 1 147 VAL 5 0 47 0 0.0 . >sigma 1 148 SER 4 0 15 0 0.0 . >sigma 1 149 GLY 3 0 17 0 0.0 . >sigma 1 150 ARG 7 0 15 0 0.0 . >sigma 1 151 PHE 7 0 66 0 0.0 . >sigma 1 152 TYR 6 0 29 0 0.0 . >sigma 1 153 GLY 3 0 13 0 0.0 . >sigma 1 154 PRO 5 0 15 0 0.0 . >sigma 1 155 ALA 3 0 12 0 0.0 . >sigma 1 156 GLY 3 0 19 0 0.0 . >sigma 1 157 GLU 5 0 30 0 0.0 . >sigma 1 158 GLU 5 0 28 0 0.0 . >sigma 1 159 VAL 5 0 51 0 0.0 . >sigma 1 160 ALA 3 0 21 0 0.0 . >sigma 1 161 GLY 3 0 18 0 0.0 . >sigma 1 162 LYS 7 0 28 0 0.0 . >sigma 1 163 TYR 6 0 47 0 0.0 . >sigma 1 164 SER 4 0 11 0 0.0 . >sigma 1 165 TYR 6 0 9 0 0.0 . >sigma 1 166 ARG 7 0 8 0 0.0 . >sigma 1 167 PRO 5 0 9 0 0.0 . >sigma 1 168 THR 4 0 7 0 0.0 . >sigma 1 169 ASP 4 0 8 0 0.0 . >sigma 1 170 ALA 3 0 7 0 0.0 . >sigma 1 171 GLU 5 0 7 0 0.0 . >sigma 1 172 LYS 7 0 8 0 0.0 . >sigma 1 173 GLY 3 0 8 0 0.0 . >sigma 1 174 GLY 3 0 7 0 0.0 . >sigma 1 175 PHE 7 0 21 0 0.0 . >sigma 1 176 GLY 3 0 24 0 0.0 . >sigma 1 177 VAL 5 0 41 0 0.0 . >sigma 1 178 PHE 7 0 65 0 0.0 . >sigma 1 179 ALA 3 0 20 0 0.0 . >sigma 1 180 GLY 3 0 23 0 0.0 . >sigma 1 181 LYS 7 0 22 0 0.0 . >sigma 1 182 LYS 7 0 54 0 0.0 . >sigma 1 183 GLU 5 0 21 0 0.0 . >sigma 1 184 GLN 7 0 12 0 0.0 . >sigma 1 185 ASP 4 0 7 0 0.0 . >sigma 1 186 LEU 7 0 7 0 0.0 . >sigma 1 187 GLU 5 0 10 0 0.0 . >sigma 1 188 HIS 6 0 9 0 0.0 . >sigma 1 189 HIS 6 0 7 0 0.0 . >sigma 1 190 HIS 6 0 7 0 0.0 . >sigma 1 191 HIS 6 0 7 0 0.0 . >sigma 1 192 HIS 6 0 7 0 0.0 . >sigma 1 193 HIS 6 0 4 0 0.0 . >sigma stop_ save_
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