Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593775 | 2mvg RC | 25266 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2mvg
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 167
_NOE_completeness_stats.Total_atom_count 2652
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 937
_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 32.2
_NOE_completeness_stats.Constraint_unexpanded_count 1590
_NOE_completeness_stats.Constraint_count 1590
_NOE_completeness_stats.Constraint_exp_unfiltered_count 1848
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 0
_NOE_completeness_stats.Constraint_intraresidue_count 429
_NOE_completeness_stats.Constraint_surplus_count 57
_NOE_completeness_stats.Constraint_observed_count 1104
_NOE_completeness_stats.Constraint_expected_count 1808
_NOE_completeness_stats.Constraint_matched_count 583
_NOE_completeness_stats.Constraint_unmatched_count 521
_NOE_completeness_stats.Constraint_exp_nonobs_count 1225
_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 467 807 293 36.3 0.9 .
medium-range 374 575 155 27.0 -0.9 .
long-range 263 426 135 31.7 0.0 .
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 0 0 0 0 0 0 0 0 0 0 . 0 . .
shell 2.00 2.50 64 34 0 1 6 10 3 11 3 0 . 0 53.1 53.1
shell 2.50 3.00 347 183 0 0 15 22 48 67 25 6 . 0 52.7 52.8
shell 3.00 3.50 486 142 0 3 0 33 41 38 16 11 . 0 29.2 40.0
shell 3.50 4.00 911 224 0 0 5 26 51 55 51 24 . 12 24.6 32.2
shell 4.00 4.50 1193 185 0 0 0 10 45 51 33 35 . 11 15.5 25.6
shell 4.50 5.00 1931 169 0 0 0 2 15 53 45 40 . 14 8.8 19.0
shell 5.00 5.50 2547 99 0 0 0 0 2 8 29 42 . 18 3.9 13.9
shell 5.50 6.00 2969 46 0 0 0 0 0 3 6 21 . 16 1.5 10.4
shell 6.00 6.50 3227 19 0 0 0 0 0 1 2 8 . 8 0.6 8.1
shell 6.50 7.00 3359 3 0 0 0 0 0 0 0 1 . 2 0.1 6.5
shell 7.00 7.50 3676 0 0 0 0 0 0 0 0 0 . 0 0.0 5.3
shell 7.50 8.00 4087 0 0 0 0 0 0 0 0 0 . 0 0.0 4.5
shell 8.00 8.50 4296 0 0 0 0 0 0 0 0 0 . 0 0.0 3.8
shell 8.50 9.00 4495 0 0 0 0 0 0 0 0 0 . 0 0.0 3.3
sums . . 33588 1104 0 4 26 103 205 287 210 188 . 81 . .
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 SER 4 0 2 0 0.0 -1.9 >sigma
1 2 SER 4 1 6 1 16.7 -0.9 .
1 3 ILE 6 8 12 6 50.0 1.1 >sigma
1 4 GLY 3 9 9 6 66.7 2.1 >sigma
1 5 LEU 7 9 9 5 55.6 1.4 >sigma
1 6 VAL 5 13 9 6 66.7 2.1 >sigma
1 7 GLU 5 6 9 4 44.4 0.7 .
1 8 ARG 7 4 9 2 22.2 -0.6 .
1 9 THR 4 9 13 5 38.5 0.4 .
1 10 ASN 6 18 8 5 62.5 1.8 >sigma
1 11 ALA 3 9 14 3 21.4 -0.6 .
1 12 ALA 3 7 13 3 23.1 -0.5 .
1 13 LEU 7 24 30 8 26.7 -0.3 .
1 14 GLU 5 9 19 4 21.1 -0.7 .
1 15 SER 4 14 15 6 40.0 0.5 .
1 16 SER 4 6 20 3 15.0 -1.0 >sigma
1 17 SER 4 20 27 8 29.6 -0.1 .
1 18 LYS 7 14 18 6 33.3 0.1 .
1 19 ASP 4 12 16 6 37.5 0.3 .
1 20 LEU 7 31 51 15 29.4 -0.2 .
1 21 LYS 7 29 45 15 33.3 0.1 .
1 22 ASN 6 17 19 9 47.4 0.9 .
1 23 LYS 7 13 36 6 16.7 -0.9 .
1 24 ILE 6 28 48 13 27.1 -0.3 .
1 25 LEU 7 18 30 12 40.0 0.5 .
1 26 LYS 7 13 39 9 23.1 -0.5 .
1 27 ILE 6 35 53 22 41.5 0.6 .
1 28 LYS 7 13 27 7 25.9 -0.4 .
1 29 LYS 7 7 17 5 29.4 -0.2 .
1 30 GLU 5 4 20 4 20.0 -0.7 .
1 31 ALA 3 13 29 10 34.5 0.1 .
1 32 THR 4 17 17 10 58.8 1.6 >sigma
1 33 GLY 3 7 9 5 55.6 1.4 >sigma
1 34 LYS 7 8 22 5 22.7 -0.6 .
1 35 GLY 3 10 8 5 62.5 1.8 >sigma
1 36 VAL 5 31 34 14 41.2 0.6 .
1 37 LEU 7 12 13 5 38.5 0.4 .
1 38 PHE 7 11 10 6 60.0 1.7 >sigma
1 39 GLU 5 11 12 9 75.0 2.6 >sigma
1 40 ALA 3 13 15 6 40.0 0.5 .
1 41 PHE 7 10 10 4 40.0 0.5 .
1 42 THR 4 5 13 2 15.4 -1.0 >sigma
1 43 GLY 3 5 9 2 22.2 -0.6 .
1 44 LEU 7 18 33 5 15.2 -1.0 >sigma
1 45 LYS 7 3 7 1 14.3 -1.1 >sigma
1 46 THR 4 5 24 1 4.2 -1.7 >sigma
1 47 GLY 3 5 8 1 12.5 -1.2 >sigma
1 48 SER 4 0 8 0 0.0 -1.9 >sigma
1 49 LYS 7 6 15 1 6.7 -1.5 >sigma
1 50 VAL 5 10 15 6 40.0 0.5 .
1 51 THR 4 4 10 4 40.0 0.5 .
1 52 SER 4 4 11 3 27.3 -0.3 .
1 53 GLY 3 2 14 1 7.1 -1.5 >sigma
1 54 GLY 3 2 8 0 0.0 -1.9 >sigma
1 55 LEU 7 1 11 0 0.0 -1.9 >sigma
1 56 ALA 3 4 21 3 14.3 -1.1 >sigma
1 57 LEU 7 18 36 7 19.4 -0.8 .
1 58 ARG 7 4 23 3 13.0 -1.1 >sigma
1 59 GLU 5 5 17 2 11.8 -1.2 >sigma
1 60 ALA 3 18 27 8 29.6 -0.1 .
1 61 LYS 7 12 38 9 23.7 -0.5 .
1 62 VAL 5 24 36 12 33.3 0.1 .
1 63 GLN 7 28 27 19 70.4 2.3 >sigma
1 64 ALA 3 17 32 11 34.4 0.1 .
1 65 ILE 6 27 46 12 26.1 -0.4 .
1 66 VAL 5 22 26 14 53.8 1.3 >sigma
1 67 GLU 5 7 24 5 20.8 -0.7 .
1 68 THR 4 25 32 14 43.8 0.7 .
1 69 GLY 3 9 13 3 23.1 -0.5 .
1 70 LYS 7 7 17 2 11.8 -1.2 >sigma
1 71 PHE 7 24 46 10 21.7 -0.6 .
1 72 LEU 7 17 40 7 17.5 -0.9 .
1 73 LYS 7 9 18 5 27.8 -0.3 .
1 74 ILE 6 18 27 11 40.7 0.5 .
1 75 ILE 6 33 52 16 30.8 -0.1 .
1 76 GLU 5 15 33 7 21.2 -0.7 .
1 77 GLU 5 6 15 4 26.7 -0.3 .
1 78 GLU 5 13 23 7 30.4 -0.1 .
1 79 ALA 3 19 22 11 50.0 1.1 >sigma
1 80 LEU 7 9 25 6 24.0 -0.5 .
1 81 LYS 7 12 16 6 37.5 0.3 .
1 82 LEU 7 25 30 13 43.3 0.7 .
1 83 LYS 7 14 31 9 29.0 -0.2 .
1 84 GLU 5 15 18 9 50.0 1.1 >sigma
1 85 THR 4 12 18 9 50.0 1.1 >sigma
1 86 GLY 3 8 15 4 26.7 -0.3 .
1 87 ASN 6 4 14 2 14.3 -1.1 >sigma
1 88 SER 4 10 18 8 44.4 0.7 .
1 89 GLY 3 9 11 5 45.5 0.8 .
1 90 GLN 7 13 24 9 37.5 0.3 .
1 91 PHE 7 21 41 12 29.3 -0.2 .
1 92 LEU 7 27 16 9 56.3 1.5 >sigma
1 93 ALA 3 15 13 7 53.8 1.3 >sigma
1 94 MET 6 14 44 10 22.7 -0.6 .
1 95 PHE 7 19 38 9 23.7 -0.5 .
1 96 ASP 4 21 17 12 70.6 2.3 >sigma
1 97 LEU 7 24 42 15 35.7 0.2 .
1 98 MET 6 36 51 18 35.3 0.2 .
1 99 LEU 7 31 46 15 32.6 0.0 .
1 100 GLU 5 12 26 4 15.4 -1.0 >sigma
1 101 VAL 5 27 44 17 38.6 0.4 .
1 102 VAL 5 21 31 14 45.2 0.8 .
1 103 GLU 5 7 24 5 20.8 -0.7 .
1 104 SER 4 9 19 3 15.8 -1.0 .
1 105 LEU 7 16 43 7 16.3 -1.0 .
1 106 GLU 5 6 12 3 25.0 -0.4 .
1 107 ASP 4 10 16 7 43.8 0.7 .
1 108 VAL 5 24 43 15 34.9 0.2 .
1 109 GLY 3 8 7 2 28.6 -0.2 .
1 110 ILE 6 8 35 4 11.4 -1.2 >sigma
1 111 ILE 6 14 12 5 41.7 0.6 .
1 112 GLY 3 10 9 4 44.4 0.7 .
1 113 LEU 7 26 25 11 44.0 0.7 .
1 114 LYS 7 29 46 18 39.1 0.4 .
1 115 ALA 3 16 18 10 55.6 1.4 >sigma
1 116 ARG 7 15 24 9 37.5 0.3 .
1 117 VAL 5 35 39 18 46.2 0.9 .
1 118 LEU 7 19 33 13 39.4 0.4 .
1 119 GLU 5 17 17 7 41.2 0.6 .
1 120 GLU 5 10 20 7 35.0 0.2 .
1 121 SER 4 21 20 7 35.0 0.2 .
1 122 LYS 7 19 16 7 43.8 0.7 .
1 123 ASN 6 6 10 4 40.0 0.5 .
1 124 ASN 6 11 12 5 41.7 0.6 .
1 125 PRO 5 6 8 4 50.0 1.1 >sigma
1 126 ILE 6 34 34 18 52.9 1.3 >sigma
1 127 ASN 6 21 15 9 60.0 1.7 >sigma
1 128 THR 4 22 19 12 63.2 1.9 >sigma
1 129 ALA 3 27 27 12 44.4 0.7 .
1 130 GLU 5 15 16 9 56.3 1.5 >sigma
1 131 ARG 7 16 29 11 37.9 0.4 .
1 132 LEU 7 20 42 10 23.8 -0.5 .
1 133 LEU 7 22 18 7 38.9 0.4 .
1 134 ALA 3 13 16 5 31.3 -0.0 .
1 135 ALA 3 13 24 7 29.2 -0.2 .
1 136 LYS 7 20 49 10 20.4 -0.7 .
1 137 ALA 3 18 18 7 38.9 0.4 .
1 138 GLN 7 16 25 8 32.0 -0.0 .
1 139 ILE 6 24 41 11 26.8 -0.3 .
1 140 GLU 5 12 26 9 34.6 0.2 .
1 141 ASN 6 12 18 9 50.0 1.1 >sigma
1 142 GLN 7 29 29 18 62.1 1.8 >sigma
1 143 LEU 7 7 25 5 20.0 -0.7 .
1 144 LYS 7 9 17 6 35.3 0.2 .
1 145 VAL 5 23 30 12 40.0 0.5 .
1 146 VAL 5 13 29 11 37.9 0.4 .
1 147 LYS 7 19 33 11 33.3 0.1 .
1 148 GLU 5 6 18 4 22.2 -0.6 .
1 149 LYS 7 12 22 7 31.8 -0.0 .
1 150 GLN 7 7 18 4 22.2 -0.6 .
1 151 ASN 6 5 10 2 20.0 -0.7 .
1 152 ILE 6 12 11 5 45.5 0.8 .
1 153 GLU 5 10 11 4 36.4 0.3 .
1 154 ASN 6 1 7 0 0.0 -1.9 >sigma
1 155 GLY 3 0 6 0 0.0 -1.9 >sigma
1 156 GLY 3 0 6 0 0.0 -1.9 >sigma
1 157 GLU 5 1 8 0 0.0 -1.9 >sigma
1 158 LYS 7 1 10 1 10.0 -1.3 >sigma
1 159 LYS 7 2 10 2 20.0 -0.7 .
1 160 ASN 6 1 8 1 12.5 -1.2 >sigma
1 161 ASN 6 0 7 0 0.0 -1.9 >sigma
1 162 LYS 7 0 10 0 0.0 -1.9 >sigma
1 163 SER 4 1 9 1 11.1 -1.3 >sigma
1 164 LYS 7 2 7 2 28.6 -0.2 .
1 165 LYS 7 2 8 2 25.0 -0.4 .
1 166 LYS 7 3 9 3 33.3 0.1 .
1 167 LYS 7 2 5 2 40.0 0.5 .
stop_
save_