NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
627517 |
5nmy   |
34121 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_5nmy
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 15
_NOE_completeness_stats.Residue_count 246
_NOE_completeness_stats.Total_atom_count 3722
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1313
_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 57.5
_NOE_completeness_stats.Constraint_unexpanded_count 4285
_NOE_completeness_stats.Constraint_count 4285
_NOE_completeness_stats.Constraint_exp_unfiltered_count 3476
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 50
_NOE_completeness_stats.Constraint_intraresidue_count 854
_NOE_completeness_stats.Constraint_surplus_count 331
_NOE_completeness_stats.Constraint_observed_count 3050
_NOE_completeness_stats.Constraint_expected_count 3189
_NOE_completeness_stats.Constraint_matched_count 1834
_NOE_completeness_stats.Constraint_unmatched_count 1216
_NOE_completeness_stats.Constraint_exp_nonobs_count 1355
_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 891 887 543 61.2 0.9 .
medium-range 412 429 229 53.4 -0.8 .
long-range 1747 1873 1062 56.7 -0.1 .
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 4 4 0 1 2 1 0 0 0 0 . 0 100.0 100.0
shell 2.00 2.50 399 338 11 116 119 61 28 3 0 0 . 0 84.7 84.9
shell 2.50 3.00 597 412 0 24 124 144 91 23 6 0 . 0 69.0 75.4
shell 3.00 3.50 814 471 0 2 46 187 156 59 17 4 . 0 57.9 67.5
shell 3.50 4.00 1375 609 0 0 12 122 275 149 40 11 . 0 44.3 57.5
shell 4.00 4.50 2174 570 0 0 0 10 165 256 111 28 . 0 26.2 44.8
shell 4.50 5.00 3118 418 0 0 0 0 15 177 171 55 . 0 13.4 33.3
shell 5.00 5.50 3525 197 0 0 0 0 1 15 91 90 . 0 5.6 25.1
shell 5.50 6.00 3983 28 0 0 0 0 0 1 13 14 . 0 0.7 19.1
shell 6.00 6.50 4524 3 0 0 0 0 0 0 3 0 . 0 0.1 14.9
shell 6.50 7.00 4868 0 0 0 0 0 0 0 0 0 . 0 0.0 12.0
shell 7.00 7.50 5759 0 0 0 0 0 0 0 0 0 . 0 0.0 9.8
shell 7.50 8.00 6075 0 0 0 0 0 0 0 0 0 . 0 0.0 8.2
shell 8.00 8.50 6601 0 0 0 0 0 0 0 0 0 . 0 0.0 7.0
shell 8.50 9.00 6982 0 0 0 0 0 0 0 0 0 . 0 0.0 6.0
sums . . 50798 3050 11 143 303 525 731 683 452 202 . 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 1 GLY 3 0 2 0 0.0 -2.5 >sigma
1 2 SER 4 0 5 0 0.0 -2.5 >sigma
1 3 HIS 6 2 7 1 14.3 -1.8 >sigma
1 4 GLU 5 10 10 3 30.0 -1.1 >sigma
1 5 HIS 6 25 21 13 61.9 0.4 .
1 6 SER 4 20 17 12 70.6 0.8 .
1 7 ALA 3 38 36 22 61.1 0.4 .
1 8 GLN 7 30 22 16 72.7 0.9 .
1 9 TRP 10 54 53 34 64.2 0.5 .
1 10 LEU 7 69 56 40 71.4 0.8 .
1 11 ASN 6 28 24 14 58.3 0.2 .
1 12 ASN 6 11 13 9 69.2 0.7 .
1 13 TYR 6 44 41 29 70.7 0.8 .
1 14 LYS 7 15 15 12 80.0 1.2 >sigma
1 15 LYS 7 23 31 12 38.7 -0.7 .
1 16 GLY 3 11 16 7 43.8 -0.4 .
1 17 TYR 6 17 18 10 55.6 0.1 .
1 18 GLY 3 19 15 11 73.3 0.9 .
1 19 TYR 6 29 33 18 54.5 0.0 .
1 20 GLY 3 8 13 5 38.5 -0.7 .
1 21 PRO 5 4 8 2 25.0 -1.3 >sigma
1 22 TYR 6 15 20 11 55.0 0.1 .
1 23 PRO 5 5 13 5 38.5 -0.7 .
1 24 LEU 7 3 10 1 10.0 -2.0 >sigma
1 25 GLY 3 0 6 0 0.0 -2.5 >sigma
1 26 ILE 6 0 7 0 0.0 -2.5 >sigma
1 27 ASN 6 0 8 0 0.0 -2.5 >sigma
1 28 GLY 3 1 7 1 14.3 -1.8 >sigma
1 29 GLY 3 7 8 4 50.0 -0.2 .
1 30 MET 6 16 21 14 66.7 0.6 .
1 31 HIS 6 18 24 10 41.7 -0.5 .
1 32 TYR 6 10 35 10 28.6 -1.1 >sigma
1 33 GLY 3 14 20 8 40.0 -0.6 .
1 34 VAL 5 42 43 23 53.5 -0.0 .
1 35 ASP 4 14 18 9 50.0 -0.2 .
1 36 PHE 7 41 49 27 55.1 0.1 .
1 37 PHE 7 27 30 19 63.3 0.5 .
1 38 MET 6 47 43 27 62.8 0.4 .
1 39 ASN 6 10 11 7 63.6 0.5 .
1 40 ILE 6 25 32 18 56.3 0.1 .
1 41 GLY 3 19 15 11 73.3 0.9 .
1 42 THR 4 28 22 14 63.6 0.5 .
1 43 PRO 5 19 29 15 51.7 -0.1 .
1 44 VAL 5 36 44 22 50.0 -0.2 .
1 45 LYS 7 29 41 15 36.6 -0.8 .
1 46 ALA 3 30 31 19 61.3 0.4 .
1 47 ILE 6 51 53 31 58.5 0.2 .
1 48 SER 4 30 31 22 71.0 0.8 .
1 49 SER 4 35 25 20 80.0 1.2 >sigma
1 50 GLY 3 27 18 13 72.2 0.9 .
1 51 LYS 7 36 30 21 70.0 0.8 .
1 52 ILE 6 53 58 33 56.9 0.2 .
1 53 VAL 5 24 27 15 55.6 0.1 .
1 54 GLU 5 29 26 17 65.4 0.5 .
1 55 ALA 3 23 28 14 50.0 -0.2 .
1 56 GLY 3 13 11 9 81.8 1.3 >sigma
1 57 TRP 10 18 18 10 55.6 0.1 .
1 58 SER 4 8 9 6 66.7 0.6 .
1 59 ASN 6 3 5 3 60.0 0.3 .
1 60 TYR 6 7 8 6 75.0 1.0 .
1 61 GLY 3 2 7 2 28.6 -1.1 >sigma
1 62 GLY 3 1 6 1 16.7 -1.7 >sigma
1 63 GLY 3 4 7 3 42.9 -0.5 .
1 64 ASN 6 9 20 4 20.0 -1.5 >sigma
1 65 GLN 7 16 23 11 47.8 -0.3 .
1 66 ILE 6 57 64 34 53.1 -0.0 .
1 67 GLY 3 30 22 15 68.2 0.7 .
1 68 LEU 7 55 57 32 56.1 0.1 .
1 69 ILE 6 42 39 23 59.0 0.3 .
1 70 GLU 5 32 30 19 63.3 0.5 .
1 71 ASN 6 17 13 9 69.2 0.7 .
1 72 ASP 4 13 12 7 58.3 0.2 .
1 73 GLY 3 15 11 7 63.6 0.5 .
1 74 VAL 5 18 21 10 47.6 -0.3 .
1 75 HIS 6 22 29 16 55.2 0.1 .
1 76 ARG 7 26 37 15 40.5 -0.6 .
1 77 GLN 7 40 58 31 53.4 -0.0 .
1 78 TRP 10 34 44 23 52.3 -0.1 .
1 79 TYR 6 48 50 35 70.0 0.8 .
1 80 MET 6 20 39 15 38.5 -0.7 .
1 81 HIS 6 10 18 8 44.4 -0.4 .
1 82 LEU 7 36 50 21 42.0 -0.5 .
1 83 SER 4 18 13 7 53.8 0.0 .
1 84 LYS 7 36 20 17 85.0 1.5 >sigma
1 85 TYR 6 33 34 23 67.6 0.7 .
1 86 ASN 6 28 30 22 73.3 0.9 .
1 87 VAL 5 31 47 23 48.9 -0.2 .
1 88 LYS 7 16 20 12 60.0 0.3 .
1 89 VAL 5 17 21 10 47.6 -0.3 .
1 90 GLY 3 14 16 9 56.3 0.1 .
1 91 ASP 4 21 22 11 50.0 -0.2 .
1 92 TYR 6 31 24 19 79.2 1.2 >sigma
1 93 VAL 5 32 40 19 47.5 -0.3 .
1 94 LYS 7 23 21 14 66.7 0.6 .
1 95 ALA 3 25 24 18 75.0 1.0 .
1 96 GLY 3 18 16 9 56.3 0.1 .
1 97 GLN 7 24 26 13 50.0 -0.2 .
1 98 ILE 6 43 45 25 55.6 0.1 .
1 99 ILE 6 44 63 31 49.2 -0.2 .
1 100 GLY 3 40 26 22 84.6 1.4 >sigma
1 101 TRP 10 68 44 38 86.4 1.5 >sigma
1 102 SER 4 21 21 13 61.9 0.4 .
1 103 GLY 3 15 23 10 43.5 -0.5 .
1 104 SER 4 5 9 3 33.3 -0.9 .
1 105 THR 4 12 13 6 46.2 -0.3 .
1 106 GLY 3 0 5 0 0.0 -2.5 >sigma
1 107 TYR 6 0 4 0 0.0 -2.5 >sigma
1 108 SER 4 0 6 0 0.0 -2.5 >sigma
1 109 THR 4 1 8 1 12.5 -1.9 >sigma
1 110 ALA 3 5 11 5 45.5 -0.4 .
1 111 PRO 5 9 25 8 32.0 -1.0 .
1 112 HIS 6 10 16 7 43.8 -0.4 .
1 113 LEU 7 30 50 21 42.0 -0.5 .
1 114 HIS 6 21 30 15 50.0 -0.2 .
1 115 PHE 7 39 55 25 45.5 -0.4 .
1 116 GLN 7 17 44 9 20.5 -1.5 >sigma
1 117 ARG 7 17 36 9 25.0 -1.3 >sigma
1 118 MET 6 49 48 25 52.1 -0.1 .
1 119 VAL 5 45 36 28 77.8 1.1 >sigma
1 120 ASN 6 22 19 15 78.9 1.2 >sigma
1 121 SER 4 15 17 10 58.8 0.2 .
1 122 PHE 7 12 18 9 50.0 -0.2 .
1 123 SER 4 12 15 5 33.3 -0.9 .
1 124 ASN 6 4 14 2 14.3 -1.8 >sigma
1 125 SER 4 5 13 3 23.1 -1.4 >sigma
1 126 THR 4 26 27 17 63.0 0.4 .
1 127 ALA 3 38 21 17 81.0 1.3 >sigma
1 128 GLN 7 18 19 12 63.2 0.4 .
1 129 ASP 4 9 17 6 35.3 -0.8 .
1 130 PRO 5 14 44 9 20.5 -1.5 >sigma
1 131 MET 6 20 39 16 41.0 -0.6 .
1 132 PRO 5 12 21 10 47.6 -0.3 .
1 133 PHE 7 33 44 18 40.9 -0.6 .
1 134 LEU 7 56 58 35 60.3 0.3 .
1 135 LYS 7 27 25 14 56.0 0.1 .
1 136 SER 4 10 12 3 25.0 -1.3 >sigma
1 137 ALA 3 31 27 18 66.7 0.6 .
1 138 GLY 3 17 15 8 53.3 -0.0 .
1 139 TYR 6 59 56 32 57.1 0.2 .
1 140 GLY 3 14 12 6 50.0 -0.2 .
1 141 LYS 7 5 20 3 15.0 -1.8 >sigma
1 142 ALA 3 0 6 0 0.0 -2.5 >sigma
1 143 GLY 3 0 5 0 0.0 -2.5 >sigma
1 144 GLY 3 0 5 0 0.0 -2.5 >sigma
1 145 THR 4 1 6 1 16.7 -1.7 >sigma
1 146 VAL 5 2 9 2 22.2 -1.4 >sigma
1 147 THR 4 4 9 4 44.4 -0.4 .
1 148 PRO 5 4 7 4 57.1 0.2 .
1 149 THR 4 5 6 4 66.7 0.6 .
1 150 PRO 5 4 6 3 50.0 -0.2 .
1 151 ASN 6 0 7 0 0.0 -2.5 >sigma
1 152 THR 4 0 7 0 0.0 -2.5 >sigma
1 153 GLY 3 2 6 2 33.3 -0.9 .
1 154 TRP 10 44 46 27 58.7 0.2 .
1 155 LYS 7 22 18 12 66.7 0.6 .
1 156 THR 4 28 21 16 76.2 1.0 >sigma
1 157 ASN 6 27 29 19 65.5 0.6 .
1 158 LYS 7 10 14 6 42.9 -0.5 .
1 159 TYR 6 25 25 13 52.0 -0.1 .
1 160 GLY 3 16 13 12 92.3 1.8 >sigma
1 161 THR 4 42 39 30 76.9 1.1 >sigma
1 162 LEU 7 52 32 25 78.1 1.1 >sigma
1 163 TYR 6 74 42 38 90.5 1.7 >sigma
1 164 LYS 7 36 41 19 46.3 -0.3 .
1 165 SER 4 13 10 8 80.0 1.2 >sigma
1 166 GLU 5 22 24 11 45.8 -0.4 .
1 167 SER 4 13 8 7 87.5 1.6 >sigma
1 168 ALA 3 15 13 9 69.2 0.7 .
1 169 SER 4 25 14 9 64.3 0.5 .
1 170 PHE 7 89 68 56 82.4 1.3 >sigma
1 171 THR 4 27 21 15 71.4 0.8 .
1 172 PRO 5 47 46 35 76.1 1.0 >sigma
1 173 ASN 6 29 18 13 72.2 0.9 .
1 174 THR 4 22 20 15 75.0 1.0 .
1 175 ASP 4 24 17 14 82.4 1.3 >sigma
1 176 ILE 6 48 51 36 70.6 0.8 .
1 177 ILE 6 30 36 19 52.8 -0.0 .
1 178 THR 4 46 42 30 71.4 0.8 .
1 179 ARG 7 53 62 34 54.8 0.1 .
1 180 THR 4 33 29 19 65.5 0.6 .
1 181 THR 4 14 17 8 47.1 -0.3 .
1 182 GLY 3 18 18 12 66.7 0.6 .
1 183 PRO 5 17 38 10 26.3 -1.3 >sigma
1 184 PHE 7 41 46 26 56.5 0.1 .
1 185 ARG 7 23 26 17 65.4 0.5 .
1 186 SER 4 9 12 6 50.0 -0.2 .
1 187 MET 6 22 41 16 39.0 -0.7 .
1 188 PRO 5 7 11 6 54.5 0.0 .
1 189 GLN 7 30 33 20 60.6 0.3 .
1 190 SER 4 30 24 17 70.8 0.8 .
1 191 GLY 3 20 14 8 57.1 0.2 .
1 192 VAL 5 24 30 15 50.0 -0.2 .
1 193 LEU 7 29 46 17 37.0 -0.8 .
1 194 LYS 7 21 22 12 54.5 0.0 .
1 195 ALA 3 20 18 16 88.9 1.6 >sigma
1 196 GLY 3 13 11 9 81.8 1.3 >sigma
1 197 GLN 7 18 21 11 52.4 -0.1 .
1 198 THR 4 11 12 6 50.0 -0.2 .
1 199 ILE 6 54 49 30 61.2 0.4 .
1 200 HIS 6 20 12 10 83.3 1.4 >sigma
1 201 TYR 6 73 53 43 81.1 1.3 >sigma
1 202 ASP 4 17 15 10 66.7 0.6 .
1 203 GLU 5 27 25 13 52.0 -0.1 .
1 204 VAL 5 38 43 20 46.5 -0.3 .
1 205 MET 6 64 57 39 68.4 0.7 .
1 206 LYS 7 55 59 32 54.2 0.0 .
1 207 GLN 7 42 46 24 52.2 -0.1 .
1 208 ASP 4 20 22 14 63.6 0.5 .
1 209 GLY 3 9 11 8 72.7 0.9 .
1 210 HIS 6 55 35 29 82.9 1.4 >sigma
1 211 VAL 5 58 49 33 67.3 0.6 .
1 212 TRP 10 91 78 57 73.1 0.9 .
1 213 VAL 5 75 52 43 82.7 1.3 >sigma
1 214 GLY 3 31 25 17 68.0 0.7 .
1 215 TYR 6 58 42 30 71.4 0.8 .
1 216 THR 4 18 13 10 76.9 1.1 >sigma
1 217 GLY 3 21 17 12 70.6 0.8 .
1 218 ASN 6 2 8 0 0.0 -2.5 >sigma
1 219 SER 4 4 8 2 25.0 -1.3 >sigma
1 220 GLY 3 7 9 4 44.4 -0.4 .
1 221 GLN 7 16 19 11 57.9 0.2 .
1 222 ARG 7 19 16 8 50.0 -0.2 .
1 223 ILE 6 48 46 31 67.4 0.6 .
1 224 TYR 6 54 46 32 69.6 0.7 .
1 225 LEU 7 63 65 41 63.1 0.4 .
1 226 PRO 5 49 37 30 81.1 1.3 >sigma
1 227 VAL 5 66 49 38 77.6 1.1 >sigma
1 228 ARG 7 52 61 32 52.5 -0.0 .
1 229 THR 4 37 22 19 86.4 1.5 >sigma
1 230 TRP 10 71 60 41 68.3 0.7 .
1 231 ASN 6 20 20 12 60.0 0.3 .
1 232 LYS 7 20 15 12 80.0 1.2 >sigma
1 233 SER 4 4 14 3 21.4 -1.5 >sigma
1 234 THR 4 8 15 5 33.3 -0.9 .
1 235 ASN 6 17 12 10 83.3 1.4 >sigma
1 236 THR 4 24 15 11 73.3 0.9 .
1 237 LEU 7 28 38 14 36.8 -0.8 .
1 238 GLY 3 17 13 8 61.5 0.4 .
1 239 VAL 5 11 8 5 62.5 0.4 .
1 240 LEU 7 31 43 21 48.8 -0.2 .
1 241 TRP 10 76 44 36 81.8 1.3 >sigma
1 242 GLY 3 28 23 18 78.3 1.1 >sigma
1 243 THR 4 18 10 6 60.0 0.3 .
1 244 ILE 6 34 35 22 62.9 0.4 .
1 245 LYS 7 15 14 7 50.0 -0.2 .
stop_
save_
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