Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606667 | 5krw RC | 30134 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_5krw
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 155
_NOE_completeness_stats.Total_atom_count 2452
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 873
_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 11.5
_NOE_completeness_stats.Constraint_unexpanded_count 976
_NOE_completeness_stats.Constraint_count 976
_NOE_completeness_stats.Constraint_exp_unfiltered_count 2498
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 140
_NOE_completeness_stats.Constraint_intraresidue_count 110
_NOE_completeness_stats.Constraint_surplus_count 13
_NOE_completeness_stats.Constraint_observed_count 713
_NOE_completeness_stats.Constraint_expected_count 2487
_NOE_completeness_stats.Constraint_matched_count 285
_NOE_completeness_stats.Constraint_unmatched_count 428
_NOE_completeness_stats.Constraint_exp_nonobs_count 2202
_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 227 806 140 17.4 1.0 >sigma
medium-range 331 844 74 8.8 -0.5 .
long-range 155 837 71 8.5 -0.5 .
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 29 5 0 0 0 1 1 3 0 0 . 0 17.2 17.2
shell 2.00 2.50 266 53 0 0 5 17 15 13 1 1 . 1 19.9 19.7
shell 2.50 3.00 526 104 0 1 4 56 23 9 8 3 . 0 19.8 19.7
shell 3.00 3.50 552 45 0 0 0 6 12 14 7 6 . 0 8.2 15.1
shell 3.50 4.00 1114 78 0 0 0 2 17 28 19 10 . 2 7.0 11.5
shell 4.00 4.50 1647 177 0 0 0 0 13 64 79 11 . 10 10.7 11.2
shell 4.50 5.00 2203 150 0 0 0 0 0 7 53 72 . 18 6.8 9.7
shell 5.00 5.50 2592 68 0 0 0 0 0 0 9 31 . 28 2.6 7.6
shell 5.50 6.00 3150 25 0 0 0 0 0 0 0 5 . 20 0.8 5.8
shell 6.00 6.50 3336 8 0 0 0 0 0 0 0 0 . 8 0.2 4.6
shell 6.50 7.00 3710 0 0 0 0 0 0 0 0 0 . 0 0.0 3.7
shell 7.00 7.50 3803 0 0 0 0 0 0 0 0 0 . 0 0.0 3.1
shell 7.50 8.00 4349 0 0 0 0 0 0 0 0 0 . 0 0.0 2.6
shell 8.00 8.50 4757 0 0 0 0 0 0 0 0 0 . 0 0.0 2.2
shell 8.50 9.00 4768 0 0 0 0 0 0 0 0 0 . 0 0.0 1.9
sums . . 36802 713 0 1 9 82 81 138 176 139 . 87 . .
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 6 19 4 21.1 0.9 .
1 2 THR 4 0 8 0 0.0 -0.9 .
1 3 SER 4 0 21 0 0.0 -0.9 .
1 4 THR 4 15 37 5 13.5 0.3 .
1 5 VAL 5 16 35 10 28.6 1.6 >sigma
1 6 GLU 5 7 31 5 16.1 0.5 .
1 7 PHE 7 22 68 16 23.5 1.2 >sigma
1 8 ILE 6 24 46 10 21.7 1.0 >sigma
1 9 ASN 6 13 25 8 32.0 1.9 >sigma
1 10 ARG 7 7 57 2 3.5 -0.6 .
1 11 TRP 10 30 76 15 19.7 0.8 .
1 12 GLN 7 14 32 3 9.4 -0.1 .
1 13 ARG 7 5 34 2 5.9 -0.4 .
1 14 ILE 6 26 67 12 17.9 0.7 .
1 15 ALA 3 16 35 4 11.4 0.1 .
1 16 LEU 7 12 30 4 13.3 0.3 .
1 17 LEU 7 0 46 0 0.0 -0.9 .
1 18 SER 4 11 30 4 13.3 0.3 .
1 19 GLN 7 6 27 3 11.1 0.1 .
1 20 SER 4 6 20 3 15.0 0.4 .
1 21 LEU 7 35 67 14 20.9 0.9 .
1 22 LEU 7 35 61 18 29.5 1.7 >sigma
1 23 GLU 5 7 24 3 12.5 0.2 .
1 24 LEU 7 22 59 8 13.6 0.3 .
1 25 ALA 3 30 37 16 43.2 2.9 >sigma
1 26 GLN 7 16 26 8 30.8 1.8 >sigma
1 27 ARG 7 10 25 5 20.0 0.8 .
1 28 GLY 3 13 12 6 50.0 3.5 >sigma
1 29 GLU 5 12 31 3 9.7 -0.1 .
1 30 TRP 10 17 46 4 8.7 -0.2 .
1 31 ASP 4 8 15 3 20.0 0.8 .
1 32 LEU 7 14 41 6 14.6 0.4 .
1 33 LEU 7 37 70 16 22.9 1.1 >sigma
1 34 LEU 7 13 52 3 5.8 -0.4 .
1 35 GLN 7 11 24 3 12.5 0.2 .
1 36 GLN 7 13 43 3 7.0 -0.3 .
1 37 GLU 5 12 42 5 11.9 0.1 .
1 38 VAL 5 21 21 6 28.6 1.6 >sigma
1 39 SER 4 8 18 4 22.2 1.0 >sigma
1 40 TYR 6 15 64 11 17.2 0.6 .
1 41 LEU 7 17 63 4 6.3 -0.4 .
1 42 GLN 7 8 19 2 10.5 0.0 .
1 43 SER 4 8 28 2 7.1 -0.3 .
1 44 ILE 6 33 67 11 16.4 0.5 .
1 45 GLU 5 11 23 4 17.4 0.6 .
1 46 THR 4 19 27 6 22.2 1.0 >sigma
1 47 VAL 5 33 52 14 26.9 1.5 >sigma
1 48 MET 6 21 37 7 18.9 0.8 .
1 49 GLU 5 10 15 5 33.3 2.0 >sigma
1 50 LYS 7 5 30 2 6.7 -0.3 .
1 51 GLN 7 3 10 2 20.0 0.8 .
1 52 THR 4 4 20 3 15.0 0.4 .
1 53 PRO 5 7 37 7 18.9 0.8 .
1 54 PRO 5 1 10 1 10.0 -0.0 .
1 55 GLY 3 0 11 0 0.0 -0.9 .
1 56 ILE 6 21 57 9 15.8 0.5 .
1 57 THR 4 13 24 6 25.0 1.3 >sigma
1 58 ARG 7 1 17 0 0.0 -0.9 .
1 59 SER 4 0 20 0 0.0 -0.9 .
1 60 ILE 6 22 58 9 15.5 0.5 .
1 61 GLN 7 10 34 2 5.9 -0.4 .
1 62 ASP 4 8 17 2 11.8 0.1 .
1 63 MET 6 28 32 9 28.1 1.6 >sigma
1 64 VAL 5 55 62 23 37.1 2.4 >sigma
1 65 ALA 3 20 25 7 28.0 1.6 >sigma
1 66 GLY 3 9 12 5 41.7 2.8 >sigma
1 67 TYR 6 25 45 10 22.2 1.0 >sigma
1 68 ILE 6 29 68 9 13.2 0.3 .
1 69 LYS 7 11 29 3 10.3 -0.0 .
1 70 GLN 7 9 29 2 6.9 -0.3 .
1 71 THR 4 21 40 10 25.0 1.3 >sigma
1 72 LEU 7 13 49 5 10.2 -0.0 .
1 73 ASP 4 9 18 3 16.7 0.6 .
1 74 ASN 6 17 36 7 19.4 0.8 .
1 75 GLU 5 15 35 5 14.3 0.3 .
1 76 GLN 7 8 27 4 14.8 0.4 .
1 77 LEU 7 22 32 8 25.0 1.3 >sigma
1 78 LEU 7 40 71 19 26.8 1.4 >sigma
1 79 LYS 7 10 36 3 8.3 -0.2 .
1 80 GLY 3 8 15 5 33.3 2.0 >sigma
1 81 LEU 7 28 41 12 29.3 1.7 >sigma
1 82 LEU 7 31 73 14 19.2 0.8 .
1 83 GLN 7 9 28 3 10.7 0.0 .
1 84 GLN 7 7 21 3 14.3 0.3 .
1 85 ARG 7 11 43 4 9.3 -0.1 .
1 86 LEU 7 19 60 4 6.7 -0.3 .
1 87 ASP 4 9 16 2 12.5 0.2 .
1 88 GLU 5 5 21 2 9.5 -0.1 .
1 89 LEU 7 22 55 5 9.1 -0.1 .
1 90 SER 4 10 22 2 9.1 -0.1 .
1 91 SER 4 7 15 2 13.3 0.3 .
1 92 LEU 7 15 32 4 12.5 0.2 .
1 93 ILE 6 19 51 4 7.8 -0.2 .
1 94 GLY 3 7 10 4 40.0 2.6 >sigma
1 95 GLN 7 4 16 1 6.3 -0.4 .
1 96 VAL 5 5 33 3 9.1 -0.1 .
1 97 LEU 7 11 42 7 16.7 0.6 .
1 98 PHE 7 6 23 2 8.7 -0.2 .
1 99 GLN 7 0 19 0 0.0 -0.9 .
1 100 GLY 3 0 14 0 0.0 -0.9 .
1 101 PRO 5 0 11 0 0.0 -0.9 .
1 102 SER 4 0 10 0 0.0 -0.9 .
1 103 ALA 3 0 14 0 0.0 -0.9 .
1 104 GLY 3 0 6 0 0.0 -0.9 .
1 105 LEU 7 2 17 0 0.0 -0.9 .
1 106 VAL 5 2 19 0 0.0 -0.9 .
1 107 PRO 5 0 20 0 0.0 -0.9 .
1 108 ARG 7 0 13 0 0.0 -0.9 .
1 109 GLY 3 0 6 0 0.0 -0.9 .
1 110 SER 4 0 5 0 0.0 -0.9 .
1 111 GLY 3 0 5 0 0.0 -0.9 .
1 112 GLY 3 0 8 0 0.0 -0.9 .
1 113 ILE 6 4 36 2 5.6 -0.4 .
1 114 GLU 5 3 6 0 0.0 -0.9 .
1 115 GLY 3 1 6 0 0.0 -0.9 .
1 116 SER 4 0 10 0 0.0 -0.9 .
1 117 ILE 6 0 42 0 0.0 -0.9 .
1 118 ASP 4 0 26 0 0.0 -0.9 .
1 119 GLU 5 0 18 0 0.0 -0.9 .
1 120 THR 4 0 22 0 0.0 -0.9 .
1 121 VAL 5 0 51 0 0.0 -0.9 .
1 122 ALA 3 0 21 0 0.0 -0.9 .
1 123 ARG 7 0 26 0 0.0 -0.9 .
1 124 TYR 6 0 40 0 0.0 -0.9 .
1 125 LYS 7 0 35 0 0.0 -0.9 .
1 126 ALA 3 0 23 0 0.0 -0.9 .
1 127 GLN 7 0 37 0 0.0 -0.9 .
1 128 PHE 7 0 49 0 0.0 -0.9 .
1 129 THR 4 0 24 0 0.0 -0.9 .
1 130 GLN 7 0 41 0 0.0 -0.9 .
1 131 LEU 7 0 61 0 0.0 -0.9 .
1 132 ASP 4 0 27 0 0.0 -0.9 .
1 133 THR 4 0 21 0 0.0 -0.9 .
1 134 MET 6 0 56 0 0.0 -0.9 .
1 135 MET 6 0 51 0 0.0 -0.9 .
1 136 SER 4 0 14 0 0.0 -0.9 .
1 137 LYS 7 0 39 0 0.0 -0.9 .
1 138 LEU 7 0 67 0 0.0 -0.9 .
1 139 ASN 6 0 22 0 0.0 -0.9 .
1 140 ASN 6 0 22 0 0.0 -0.9 .
1 141 THR 4 0 38 0 0.0 -0.9 .
1 142 SER 4 0 25 0 0.0 -0.9 .
1 143 SER 4 0 12 0 0.0 -0.9 .
1 144 TYR 6 0 37 0 0.0 -0.9 .
1 145 LEU 7 0 73 0 0.0 -0.9 .
1 146 THR 4 0 26 0 0.0 -0.9 .
1 147 GLN 7 0 22 0 0.0 -0.9 .
1 148 GLN 7 0 37 0 0.0 -0.9 .
1 149 PHE 7 0 51 0 0.0 -0.9 .
1 150 THR 4 0 21 0 0.0 -0.9 .
1 151 ALA 3 0 18 0 0.0 -0.9 .
1 152 MET 6 0 41 0 0.0 -0.9 .
1 153 ASN 6 0 29 0 0.0 -0.9 .
1 154 LYS 7 0 18 0 0.0 -0.9 .
1 155 SER 4 0 5 0 0.0 -0.9 .
stop_
save_