Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425675 | 2go9 RC | 7070 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2go9
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 161
_NOE_completeness_stats.Total_atom_count 2656
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 923
_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 39.7
_NOE_completeness_stats.Constraint_unexpanded_count 1614
_NOE_completeness_stats.Constraint_count 1614
_NOE_completeness_stats.Constraint_exp_unfiltered_count 1858
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 64
_NOE_completeness_stats.Constraint_intraresidue_count 544
_NOE_completeness_stats.Constraint_surplus_count 12
_NOE_completeness_stats.Constraint_observed_count 994
_NOE_completeness_stats.Constraint_expected_count 1848
_NOE_completeness_stats.Constraint_matched_count 734
_NOE_completeness_stats.Constraint_unmatched_count 260
_NOE_completeness_stats.Constraint_exp_nonobs_count 1114
_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 465 678 348 51.3 1.0 .
medium-range 207 350 131 37.4 -0.2 .
long-range 322 820 255 31.1 -0.8 .
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 3 3 0 2 0 1 0 0 0 0 . 0 100.0 100.0
shell 2.00 2.50 174 132 1 43 57 21 10 0 0 0 . 0 75.9 76.3
shell 2.50 3.00 348 205 0 11 66 80 37 11 0 0 . 0 58.9 64.8
shell 3.00 3.50 471 190 0 2 28 78 56 21 5 0 . 0 40.3 53.2
shell 3.50 4.00 852 204 0 0 5 56 87 48 8 0 . 0 23.9 39.7
shell 4.00 4.50 1343 165 0 0 0 7 60 75 20 3 . 0 12.3 28.2
shell 4.50 5.00 1952 73 0 0 0 0 11 38 21 3 . 0 3.7 18.9
shell 5.00 5.50 2407 16 0 0 0 0 1 3 8 4 . 0 0.7 13.1
shell 5.50 6.00 2950 6 0 0 0 0 0 0 3 2 . 1 0.2 9.5
shell 6.00 6.50 3188 0 0 0 0 0 0 0 0 0 . 0 0.0 7.3
shell 6.50 7.00 3542 0 0 0 0 0 0 0 0 0 . 0 0.0 5.8
shell 7.00 7.50 3824 0 0 0 0 0 0 0 0 0 . 0 0.0 4.7
shell 7.50 8.00 4084 0 0 0 0 0 0 0 0 0 . 0 0.0 4.0
shell 8.00 8.50 4446 0 0 0 0 0 0 0 0 0 . 0 0.0 3.4
shell 8.50 9.00 4754 0 0 0 0 0 0 0 0 0 . 0 0.0 2.9
sums . . 34338 994 1 58 156 243 262 196 65 12 . 1 . .
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 0 4 0 0.0 -2.6 >sigma
1 2 ARG 7 0 8 0 0.0 -2.6 >sigma
1 3 GLU 5 5 10 5 50.0 0.6 .
1 4 LEU 7 10 10 7 70.0 1.8 >sigma
1 5 THR 4 20 19 13 68.4 1.7 >sigma
1 6 THR 4 17 33 11 33.3 -0.5 .
1 7 VAL 5 30 45 25 55.6 0.9 .
1 8 LEU 7 17 36 14 38.9 -0.1 .
1 9 VAL 5 14 44 13 29.5 -0.7 .
1 10 LYS 7 13 40 10 25.0 -1.0 >sigma
1 11 ASN 6 14 34 12 35.3 -0.4 .
1 12 LEU 7 11 49 10 20.4 -1.3 >sigma
1 13 PRO 5 14 36 14 38.9 -0.1 .
1 14 LYS 7 5 11 5 45.5 0.3 .
1 15 SER 4 4 14 4 28.6 -0.8 .
1 16 TYR 6 10 26 8 30.8 -0.6 .
1 17 ASN 6 11 15 9 60.0 1.2 >sigma
1 18 GLN 7 15 25 13 52.0 0.7 .
1 19 ASN 6 13 16 9 56.3 1.0 .
1 20 LYS 7 21 29 16 55.2 0.9 .
1 21 VAL 5 14 32 10 31.3 -0.6 .
1 22 TYR 6 14 23 12 52.2 0.7 .
1 23 LYS 7 17 18 12 66.7 1.6 >sigma
1 24 TYR 6 7 18 4 22.2 -1.2 >sigma
1 25 PHE 7 9 35 7 20.0 -1.3 >sigma
1 26 LYS 7 6 16 5 31.3 -0.6 .
1 27 HIS 6 1 11 0 0.0 -2.6 >sigma
1 28 CYS 4 3 16 3 18.8 -1.4 >sigma
1 29 GLY 3 6 11 4 36.4 -0.3 .
1 30 PRO 5 5 7 4 57.1 1.0 >sigma
1 31 ILE 6 16 42 15 35.7 -0.3 .
1 32 ILE 6 13 23 12 52.2 0.7 .
1 33 HIS 6 19 24 16 66.7 1.6 >sigma
1 34 VAL 5 21 36 15 41.7 0.0 .
1 35 ASP 4 14 14 9 64.3 1.5 >sigma
1 36 VAL 5 21 32 18 56.3 1.0 .
1 37 ALA 3 17 21 15 71.4 1.9 >sigma
1 38 ASP 4 3 15 3 20.0 -1.3 >sigma
1 39 SER 4 4 10 3 30.0 -0.7 .
1 40 LEU 7 6 10 4 40.0 -0.1 .
1 41 LYS 7 6 14 5 35.7 -0.3 .
1 42 LYS 7 5 13 4 30.8 -0.6 .
1 43 ASN 6 3 9 1 11.1 -1.9 >sigma
1 44 PHE 7 10 18 6 33.3 -0.5 .
1 45 ARG 7 11 32 8 25.0 -1.0 >sigma
1 46 PHE 7 16 40 13 32.5 -0.5 .
1 47 ALA 3 18 30 15 50.0 0.6 .
1 48 ARG 7 10 20 5 25.0 -1.0 >sigma
1 49 ILE 6 21 58 18 31.0 -0.6 .
1 50 GLU 5 17 37 15 40.5 -0.0 .
1 51 PHE 7 16 54 11 20.4 -1.3 >sigma
1 52 ALA 3 10 19 6 31.6 -0.6 .
1 53 ARG 7 18 23 12 52.2 0.7 .
1 54 TYR 6 15 22 12 54.5 0.8 .
1 55 ASP 4 13 21 9 42.9 0.1 .
1 56 GLY 3 12 20 8 40.0 -0.1 .
1 57 ALA 3 18 25 15 60.0 1.2 >sigma
1 58 LEU 7 21 25 14 56.0 0.9 .
1 59 ALA 3 12 15 9 60.0 1.2 >sigma
1 60 ALA 3 11 21 9 42.9 0.1 .
1 61 ILE 6 25 41 18 43.9 0.2 .
1 62 THR 4 5 12 3 25.0 -1.0 >sigma
1 63 LYS 7 3 8 3 37.5 -0.2 .
1 64 THR 4 17 28 13 46.4 0.3 .
1 65 HIS 6 4 9 4 44.4 0.2 .
1 66 LYS 7 1 6 1 16.7 -1.5 >sigma
1 67 VAL 5 11 21 9 42.9 0.1 .
1 68 VAL 5 12 23 10 43.5 0.2 .
1 69 GLY 3 4 8 3 37.5 -0.2 .
1 70 GLN 7 6 9 4 44.4 0.2 .
1 71 ASN 6 19 20 11 55.0 0.9 .
1 72 GLU 5 12 18 8 44.4 0.2 .
1 73 ILE 6 21 48 18 37.5 -0.2 .
1 74 ILE 6 18 42 13 31.0 -0.6 .
1 75 VAL 5 25 42 18 42.9 0.1 .
1 76 SER 4 13 13 10 76.9 2.3 >sigma
1 77 HIS 6 12 17 10 58.8 1.1 >sigma
1 78 LEU 7 20 43 15 34.9 -0.4 .
1 79 THR 4 13 21 7 33.3 -0.5 .
1 80 GLU 5 8 10 4 40.0 -0.1 .
1 81 CYS 4 12 18 5 27.8 -0.8 .
1 82 THR 4 12 14 8 57.1 1.0 >sigma
1 83 LEU 7 14 46 10 21.7 -1.2 >sigma
1 84 TRP 10 13 42 12 28.6 -0.8 .
1 85 MET 6 23 40 20 50.0 0.6 .
1 86 THR 4 16 28 14 50.0 0.6 .
1 87 ASN 6 10 20 10 50.0 0.6 .
1 88 PHE 7 8 25 6 24.0 -1.1 >sigma
1 89 PRO 5 4 26 4 15.4 -1.6 >sigma
1 90 PRO 5 3 10 3 30.0 -0.7 .
1 91 SER 4 4 12 4 33.3 -0.5 .
1 92 TYR 6 8 35 4 11.4 -1.9 >sigma
1 93 THR 4 15 15 9 60.0 1.2 >sigma
1 94 GLN 7 19 36 18 50.0 0.6 .
1 95 ARG 7 9 14 8 57.1 1.0 >sigma
1 96 ASN 6 14 23 10 43.5 0.2 .
1 97 ILE 6 21 48 17 35.4 -0.4 .
1 98 ARG 7 13 28 8 28.6 -0.8 .
1 99 ASP 4 17 17 11 64.7 1.5 >sigma
1 100 LEU 7 21 25 14 56.0 0.9 .
1 101 LEU 7 22 39 12 30.8 -0.6 .
1 102 GLN 7 17 20 11 55.0 0.9 .
1 103 ASP 4 12 11 9 81.8 2.6 >sigma
1 104 ILE 6 23 27 16 59.3 1.1 >sigma
1 105 ASN 6 13 16 8 50.0 0.6 .
1 106 VAL 5 7 14 3 21.4 -1.2 >sigma
1 107 VAL 5 9 14 6 42.9 0.1 .
1 108 ALA 3 13 23 10 43.5 0.2 .
1 109 LEU 7 23 34 14 41.2 0.0 .
1 110 SER 4 15 18 12 66.7 1.6 >sigma
1 111 ILE 6 15 46 12 26.1 -0.9 .
1 112 ARG 7 10 15 7 46.7 0.4 .
1 113 LEU 7 16 34 12 35.3 -0.4 .
1 114 PRO 5 8 18 6 33.3 -0.5 .
1 115 SER 4 6 6 4 66.7 1.6 >sigma
1 116 LEU 7 9 13 6 46.2 0.3 .
1 117 ARG 7 5 9 4 44.4 0.2 .
1 118 PHE 7 3 9 3 33.3 -0.5 .
1 119 ASN 6 2 8 0 0.0 -2.6 >sigma
1 120 THR 4 2 7 0 0.0 -2.6 >sigma
1 121 SER 4 5 13 4 30.8 -0.6 .
1 122 ARG 7 3 7 3 42.9 0.1 .
1 123 ARG 7 4 7 2 28.6 -0.8 .
1 124 PHE 7 7 18 4 22.2 -1.2 >sigma
1 125 ALA 3 13 27 11 40.7 -0.0 .
1 126 TYR 6 12 34 9 26.5 -0.9 .
1 127 ILE 6 20 55 14 25.5 -1.0 .
1 128 ASP 4 18 24 13 54.2 0.8 .
1 129 VAL 5 22 47 15 31.9 -0.6 .
1 130 THR 4 13 22 10 45.5 0.3 .
1 131 SER 4 10 20 8 40.0 -0.1 .
1 132 LYS 7 12 33 10 30.3 -0.7 .
1 133 GLU 5 11 19 10 52.6 0.7 .
1 134 ASP 4 11 14 8 57.1 1.0 >sigma
1 135 ALA 3 17 26 11 42.3 0.1 .
1 136 ARG 7 10 17 10 58.8 1.1 >sigma
1 137 TYR 6 13 22 11 50.0 0.6 .
1 138 CYS 4 17 24 10 41.7 0.0 .
1 139 VAL 5 27 39 17 43.6 0.2 .
1 140 GLU 5 15 17 11 64.7 1.5 >sigma
1 141 LYS 7 7 14 6 42.9 0.1 .
1 142 LEU 7 9 31 7 22.6 -1.2 >sigma
1 143 ASN 6 19 17 10 58.8 1.1 >sigma
1 144 GLY 3 6 8 4 50.0 0.6 .
1 145 LEU 7 15 34 13 38.2 -0.2 .
1 146 LYS 7 12 18 7 38.9 -0.1 .
1 147 ILE 6 20 35 13 37.1 -0.2 .
1 148 GLU 5 13 9 7 77.8 2.3 >sigma
1 149 GLY 3 9 9 5 55.6 0.9 .
1 150 TYR 6 9 17 5 29.4 -0.7 .
1 151 THR 4 12 17 9 52.9 0.7 .
1 152 LEU 7 21 37 15 40.5 -0.0 .
1 153 VAL 5 12 22 9 40.9 -0.0 .
1 154 THR 4 21 36 16 44.4 0.2 .
1 155 LYS 7 16 26 13 50.0 0.6 .
1 156 VAL 5 18 39 13 33.3 -0.5 .
1 157 SER 4 9 13 7 53.8 0.8 .
1 158 ASN 6 15 20 9 45.0 0.2 .
1 159 PRO 5 6 6 3 50.0 0.6 .
1 160 LEU 7 10 16 4 25.0 -1.0 >sigma
1 161 GLU 5 11 11 6 54.5 0.8 .
stop_
save_