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 |
|
|
409185 |
1z87   |
6752 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_1z87
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 15
_NOE_completeness_stats.Residue_count 263
_NOE_completeness_stats.Total_atom_count 3906
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1378
_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 41.0
_NOE_completeness_stats.Constraint_unexpanded_count 2089
_NOE_completeness_stats.Constraint_count 2089
_NOE_completeness_stats.Constraint_exp_unfiltered_count 2703
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 126
_NOE_completeness_stats.Constraint_intraresidue_count 545
_NOE_completeness_stats.Constraint_surplus_count 3
_NOE_completeness_stats.Constraint_observed_count 1415
_NOE_completeness_stats.Constraint_expected_count 2700
_NOE_completeness_stats.Constraint_matched_count 1108
_NOE_completeness_stats.Constraint_unmatched_count 307
_NOE_completeness_stats.Constraint_exp_nonobs_count 1592
_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 615 1065 515 48.4 1.0 >sigma
medium-range 199 394 134 34.0 -0.7 .
long-range 601 1241 459 37.0 -0.3 .
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 37 31 0 1 2 2 3 3 2 7 . 11 83.8 83.8
shell 2.00 2.50 297 242 0 95 10 50 7 16 18 20 . 26 81.5 81.7
shell 2.50 3.00 471 267 0 44 5 62 19 24 37 23 . 53 56.7 67.1
shell 3.00 3.50 705 284 0 0 4 71 13 30 52 33 . 81 40.3 54.6
shell 3.50 4.00 1190 284 0 0 0 50 8 34 69 26 . 97 23.9 41.0
shell 4.00 4.50 1904 177 0 0 0 0 0 18 79 6 . 74 9.3 27.9
shell 4.50 5.00 2607 88 0 0 0 0 0 0 35 6 . 47 3.4 19.0
shell 5.00 5.50 3281 36 0 0 0 0 0 0 8 0 . 28 1.1 13.4
shell 5.50 6.00 3634 5 0 0 0 0 0 0 0 0 . 5 0.1 10.0
shell 6.00 6.50 4134 0 0 0 0 0 0 0 0 0 . 0 0.0 7.7
shell 6.50 7.00 4626 0 0 0 0 0 0 0 0 0 . 0 0.0 6.2
shell 7.00 7.50 5013 1 0 0 0 0 0 0 0 0 . 1 0.0 5.1
shell 7.50 8.00 5293 0 0 0 0 0 0 0 0 0 . 0 0.0 4.3
shell 8.00 8.50 5775 0 0 0 0 0 0 0 0 0 . 0 0.0 3.6
shell 8.50 9.00 6163 0 0 0 0 0 0 0 0 0 . 0 0.0 3.1
sums . . 45130 1415 0 140 21 235 50 125 300 121 . 423 . .
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 ALA 3 0 2 0 0.0 -2.0 >sigma
1 2 SER 4 0 6 0 0.0 -2.0 >sigma
1 3 GLY 3 2 7 2 28.6 -0.6 .
1 4 ARG 7 3 8 3 37.5 -0.1 .
1 5 ARG 7 3 11 3 27.3 -0.6 .
1 6 ALA 3 7 10 6 60.0 1.0 >sigma
1 7 PRO 5 12 18 11 61.1 1.1 >sigma
1 8 ARG 7 14 20 8 40.0 0.0 .
1 9 THR 4 29 21 18 85.7 2.3 >sigma
1 10 GLY 3 12 19 9 47.4 0.4 .
1 11 LEU 7 18 26 13 50.0 0.5 .
1 12 LEU 7 37 62 27 43.5 0.2 .
1 13 GLU 5 13 26 11 42.3 0.1 .
1 14 LEU 7 25 45 20 44.4 0.2 .
1 15 ARG 7 13 30 9 30.0 -0.5 .
1 16 CYS 4 9 14 7 50.0 0.5 .
1 17 GLY 3 5 5 3 60.0 1.0 >sigma
1 18 ALA 3 4 6 3 50.0 0.5 .
1 19 GLY 3 4 6 4 66.7 1.4 >sigma
1 20 SER 4 3 7 3 42.9 0.2 .
1 21 GLY 3 2 7 2 28.6 -0.6 .
1 22 ALA 3 3 6 3 50.0 0.5 .
1 23 GLY 3 4 6 4 66.7 1.4 >sigma
1 24 GLY 3 7 6 4 66.7 1.4 >sigma
1 25 GLU 5 11 12 7 58.3 0.9 .
1 26 ARG 7 10 17 8 47.1 0.4 .
1 27 TRP 10 22 39 14 35.9 -0.2 .
1 28 GLN 7 7 17 7 41.2 0.1 .
1 29 ARG 7 16 22 13 59.1 1.0 .
1 30 VAL 5 24 42 21 50.0 0.5 .
1 31 LEU 7 29 39 22 56.4 0.8 .
1 32 LEU 7 41 65 34 52.3 0.6 .
1 33 SER 4 19 19 11 57.9 0.9 .
1 34 LEU 7 26 55 23 41.8 0.1 .
1 35 ALA 3 15 23 15 65.2 1.3 >sigma
1 36 GLU 5 15 16 10 62.5 1.1 >sigma
1 37 ASP 4 13 12 9 75.0 1.8 >sigma
1 38 ALA 3 22 20 15 75.0 1.8 >sigma
1 39 LEU 7 24 61 18 29.5 -0.5 .
1 40 THR 4 24 26 17 65.4 1.3 >sigma
1 41 VAL 5 35 51 30 58.8 1.0 .
1 42 SER 4 13 19 11 57.9 0.9 .
1 43 PRO 5 5 17 4 23.5 -0.8 .
1 44 ALA 3 15 21 13 61.9 1.1 >sigma
1 45 ASP 4 4 6 4 66.7 1.4 >sigma
1 46 GLY 3 3 6 3 50.0 0.5 .
1 47 GLU 5 1 8 1 12.5 -1.4 >sigma
1 48 PRO 5 2 10 2 20.0 -1.0 .
1 49 GLY 3 3 6 3 50.0 0.5 .
1 50 PRO 5 1 8 1 12.5 -1.4 >sigma
1 51 GLU 5 0 8 0 0.0 -2.0 >sigma
1 52 PRO 5 0 7 0 0.0 -2.0 >sigma
1 53 GLU 5 0 6 0 0.0 -2.0 >sigma
1 54 PRO 5 2 8 2 25.0 -0.7 .
1 55 ALA 3 4 7 4 57.1 0.9 .
1 56 GLN 7 5 8 5 62.5 1.1 >sigma
1 57 LEU 7 4 8 4 50.0 0.5 .
1 58 ASN 6 3 5 3 60.0 1.0 >sigma
1 59 GLY 3 3 5 3 60.0 1.0 >sigma
1 60 ALA 3 1 7 1 14.3 -1.3 >sigma
1 61 ALA 3 1 7 1 14.3 -1.3 >sigma
1 62 GLU 5 1 7 1 14.3 -1.3 >sigma
1 63 PRO 5 2 9 2 22.2 -0.9 .
1 64 GLY 3 3 6 3 50.0 0.5 .
1 65 ALA 3 4 10 4 40.0 0.0 .
1 66 ALA 3 8 8 6 75.0 1.8 >sigma
1 67 PRO 5 7 8 5 62.5 1.1 >sigma
1 68 PRO 5 1 8 1 12.5 -1.4 >sigma
1 69 GLN 7 3 6 2 33.3 -0.3 .
1 70 LEU 7 4 10 3 30.0 -0.5 .
1 71 PRO 5 1 9 1 11.1 -1.4 >sigma
1 72 GLU 5 6 15 3 20.0 -1.0 .
1 73 ALA 3 2 15 2 13.3 -1.3 >sigma
1 74 LEU 7 3 10 2 20.0 -1.0 .
1 75 LEU 7 10 14 6 42.9 0.2 .
1 76 LEU 7 12 20 8 40.0 0.0 .
1 77 GLN 7 9 15 8 53.3 0.7 .
1 78 ARG 7 9 20 6 30.0 -0.5 .
1 79 ARG 7 14 24 10 41.7 0.1 .
1 80 ARG 7 13 16 7 43.8 0.2 .
1 81 VAL 5 20 45 14 31.1 -0.4 .
1 82 THR 4 21 24 16 66.7 1.4 >sigma
1 83 VAL 5 17 37 12 32.4 -0.4 .
1 84 ARG 7 16 17 9 52.9 0.7 .
1 85 LYS 7 12 26 8 30.8 -0.4 .
1 86 ALA 3 4 12 4 33.3 -0.3 .
1 87 ASP 4 2 10 2 20.0 -1.0 .
1 88 ALA 3 5 16 5 31.3 -0.4 .
1 89 GLY 3 3 8 3 37.5 -0.1 .
1 90 GLY 3 3 12 2 16.7 -1.2 >sigma
1 91 LEU 7 8 34 6 17.6 -1.1 >sigma
1 92 GLY 3 6 15 5 33.3 -0.3 .
1 93 ILE 6 27 54 22 40.7 0.1 .
1 94 SER 4 14 23 12 52.2 0.6 .
1 95 ILE 6 28 53 24 45.3 0.3 .
1 96 LYS 7 19 21 12 57.1 0.9 .
1 97 GLY 3 9 17 5 29.4 -0.5 .
1 98 GLY 3 12 19 5 26.3 -0.7 .
1 99 ARG 7 15 29 14 48.3 0.4 .
1 100 GLU 5 5 14 4 28.6 -0.6 .
1 101 ASN 6 10 16 8 50.0 0.5 .
1 102 LYS 7 10 14 8 57.1 0.9 .
1 103 MET 6 15 22 10 45.5 0.3 .
1 104 PRO 5 8 22 7 31.8 -0.4 .
1 105 ILE 6 23 48 18 37.5 -0.1 .
1 106 LEU 7 17 41 16 39.0 -0.0 .
1 107 ILE 6 32 66 25 37.9 -0.1 .
1 108 SER 4 11 21 9 42.9 0.2 .
1 109 LYS 7 24 39 20 51.3 0.6 .
1 110 ILE 6 26 50 22 44.0 0.2 .
1 111 PHE 7 18 25 12 48.0 0.4 .
1 112 LYS 7 2 9 2 22.2 -0.9 .
1 113 GLY 3 0 11 0 0.0 -2.0 >sigma
1 114 LEU 7 9 27 7 25.9 -0.7 .
1 115 ALA 3 9 30 9 30.0 -0.5 .
1 116 ALA 3 13 34 12 35.3 -0.2 .
1 117 ASP 4 8 25 8 32.0 -0.4 .
1 118 GLN 7 6 17 5 29.4 -0.5 .
1 119 THR 4 17 26 13 50.0 0.5 .
1 120 GLU 5 7 9 5 55.6 0.8 .
1 121 ALA 3 14 21 12 57.1 0.9 .
1 122 LEU 7 14 47 12 25.5 -0.7 .
1 123 PHE 7 7 14 7 50.0 0.5 .
1 124 VAL 5 14 31 12 38.7 -0.0 .
1 125 GLY 3 6 15 5 33.3 -0.3 .
1 126 ASP 4 15 30 10 33.3 -0.3 .
1 127 ALA 3 25 34 20 58.8 1.0 .
1 128 ILE 6 19 53 14 26.4 -0.7 .
1 129 LEU 7 17 49 17 34.7 -0.3 .
1 130 SER 4 23 25 14 56.0 0.8 .
1 131 VAL 5 22 43 16 37.2 -0.1 .
1 132 ASN 6 14 27 12 44.4 0.2 .
1 133 GLY 3 8 7 5 71.4 1.6 >sigma
1 134 GLU 5 13 12 9 75.0 1.8 >sigma
1 135 ASP 4 12 13 11 84.6 2.3 >sigma
1 136 LEU 7 25 33 16 48.5 0.4 .
1 137 SER 4 12 9 7 77.8 1.9 >sigma
1 138 SER 4 7 10 6 60.0 1.0 >sigma
1 139 ALA 3 21 25 14 56.0 0.8 .
1 140 THR 4 23 27 18 66.7 1.4 >sigma
1 141 HIS 6 22 35 17 48.6 0.4 .
1 142 ASP 4 15 15 10 66.7 1.4 >sigma
1 143 GLU 5 17 27 13 48.1 0.4 .
1 144 ALA 3 17 30 14 46.7 0.4 .
1 145 VAL 5 19 36 17 47.2 0.4 .
1 146 GLN 7 15 27 14 51.9 0.6 .
1 147 ALA 3 16 29 15 51.7 0.6 .
1 148 LEU 7 15 45 13 28.9 -0.5 .
1 149 LYS 7 13 32 12 37.5 -0.1 .
1 150 LYS 7 16 21 13 61.9 1.1 >sigma
1 151 THR 4 16 24 13 54.2 0.7 .
1 152 GLY 3 7 15 5 33.3 -0.3 .
1 153 LYS 7 6 15 5 33.3 -0.3 .
1 154 GLU 5 18 21 11 52.4 0.6 .
1 155 VAL 5 18 49 14 28.6 -0.6 .
1 156 VAL 5 24 29 17 58.6 1.0 .
1 157 LEU 7 16 55 12 21.8 -0.9 .
1 158 GLU 5 17 31 10 32.3 -0.4 .
1 159 VAL 5 25 59 19 32.2 -0.4 .
1 160 LYS 7 9 31 7 22.6 -0.9 .
1 161 TYR 6 8 11 4 36.4 -0.2 .
1 162 MET 6 16 31 15 48.4 0.4 .
1 163 LYS 7 7 13 7 53.8 0.7 .
1 164 GLU 5 6 9 6 66.7 1.4 >sigma
1 165 VAL 5 7 15 7 46.7 0.4 .
1 166 SER 4 5 10 5 50.0 0.5 .
1 167 PRO 5 3 8 3 37.5 -0.1 .
1 168 TYR 6 4 7 4 57.1 0.9 .
1 169 PHE 7 3 8 3 37.5 -0.1 .
1 170 LYS 7 1 8 1 12.5 -1.4 >sigma
1 171 ASN 6 0 7 0 0.0 -2.0 >sigma
1 172 SER 4 0 7 0 0.0 -2.0 >sigma
1 173 ALA 3 0 7 0 0.0 -2.0 >sigma
1 174 GLY 3 0 6 0 0.0 -2.0 >sigma
1 175 GLY 3 0 7 0 0.0 -2.0 >sigma
1 176 THR 4 3 10 1 10.0 -1.5 >sigma
1 177 SER 4 0 8 0 0.0 -2.0 >sigma
1 178 VAL 5 7 11 5 45.5 0.3 .
1 179 GLY 3 5 10 5 50.0 0.5 .
1 180 TRP 10 6 7 5 71.4 1.6 >sigma
1 181 ASP 4 5 8 4 50.0 0.5 .
1 182 SER 4 2 7 2 28.6 -0.6 .
1 183 PRO 5 1 9 1 11.1 -1.4 >sigma
1 184 PRO 5 1 7 1 14.3 -1.3 >sigma
1 185 ALA 3 0 6 0 0.0 -2.0 >sigma
1 186 SER 4 0 6 0 0.0 -2.0 >sigma
1 187 PRO 5 0 9 0 0.0 -2.0 >sigma
1 188 LEU 7 0 8 0 0.0 -2.0 >sigma
1 189 GLN 7 0 9 0 0.0 -2.0 >sigma
1 190 ARG 7 0 10 0 0.0 -2.0 >sigma
1 191 GLN 7 0 10 0 0.0 -2.0 >sigma
1 192 PRO 5 0 10 0 0.0 -2.0 >sigma
1 193 SER 4 2 8 2 25.0 -0.7 .
1 194 SER 4 2 7 2 28.6 -0.6 .
1 195 PRO 5 0 8 0 0.0 -2.0 >sigma
1 196 GLY 3 2 7 1 14.3 -1.3 >sigma
1 197 PRO 5 4 6 3 50.0 0.5 .
1 198 GLN 7 4 8 4 50.0 0.5 .
1 199 PRO 5 2 9 2 22.2 -0.9 .
1 200 ARG 7 2 6 1 16.7 -1.2 >sigma
1 201 ASN 6 4 4 3 75.0 1.8 >sigma
1 202 LEU 7 7 20 6 30.0 -0.5 .
1 203 SER 4 2 9 2 22.2 -0.9 .
1 204 GLU 5 6 13 6 46.2 0.3 .
1 205 ALA 3 15 18 11 61.1 1.1 >sigma
1 206 LYS 7 17 40 14 35.0 -0.2 .
1 207 HIS 6 17 24 13 54.2 0.7 .
1 208 VAL 5 21 42 13 31.0 -0.4 .
1 209 SER 4 6 8 4 50.0 0.5 .
1 210 LEU 7 13 53 11 20.8 -0.9 .
1 211 LYS 7 4 10 4 40.0 0.0 .
1 212 MET 6 8 22 7 31.8 -0.4 .
1 213 ALA 3 14 28 14 50.0 0.5 .
1 214 TYR 6 10 15 9 60.0 1.0 >sigma
1 215 VAL 5 27 43 23 53.5 0.7 .
1 216 SER 4 12 17 10 58.8 1.0 .
1 217 ARG 7 11 14 7 50.0 0.5 .
1 218 ARG 7 9 9 5 55.6 0.8 .
1 219 CYS 4 10 11 7 63.6 1.2 >sigma
1 220 THR 4 6 15 5 33.3 -0.3 .
1 221 PRO 5 1 9 1 11.1 -1.4 >sigma
1 222 THR 4 4 10 4 40.0 0.0 .
1 223 ASP 4 8 8 4 50.0 0.5 .
1 224 PRO 5 1 12 0 0.0 -2.0 >sigma
1 225 GLU 5 2 12 2 16.7 -1.2 >sigma
1 226 PRO 5 5 15 1 6.7 -1.7 >sigma
1 227 ARG 7 2 11 1 9.1 -1.5 >sigma
1 228 TYR 6 7 29 6 20.7 -1.0 .
1 229 LEU 7 30 48 23 47.9 0.4 .
1 230 GLU 5 16 25 13 52.0 0.6 .
1 231 ILE 6 34 54 27 50.0 0.5 .
1 232 CYS 4 14 16 10 62.5 1.1 >sigma
1 233 ALA 3 20 36 16 44.4 0.2 .
1 234 ALA 3 13 21 12 57.1 0.9 .
1 235 ASP 4 10 9 5 55.6 0.8 .
1 236 GLY 3 6 9 5 55.6 0.8 .
1 237 GLN 7 12 21 8 38.1 -0.1 .
1 238 ASP 4 10 25 10 40.0 0.0 .
1 239 ALA 3 11 16 10 62.5 1.1 >sigma
1 240 VAL 5 26 48 22 45.8 0.3 .
1 241 PHE 7 17 46 11 23.9 -0.8 .
1 242 LEU 7 24 56 15 26.8 -0.6 .
1 243 ARG 7 9 26 7 26.9 -0.6 .
1 244 ALA 3 18 28 12 42.9 0.2 .
1 245 LYS 7 9 14 8 57.1 0.9 .
1 246 ASP 4 13 19 9 47.4 0.4 .
1 247 GLU 5 11 16 8 50.0 0.5 .
1 248 ALA 3 12 23 10 43.5 0.2 .
1 249 SER 4 18 29 15 51.7 0.6 .
1 250 ALA 3 18 29 15 51.7 0.6 .
1 251 ARG 7 12 20 10 50.0 0.5 .
1 252 SER 4 11 16 9 56.3 0.8 .
1 253 TRP 10 44 71 32 45.1 0.3 .
1 254 ALA 3 24 35 21 60.0 1.0 >sigma
1 255 GLY 3 10 15 8 53.3 0.7 .
1 256 ALA 3 13 22 13 59.1 1.0 .
1 257 ILE 6 27 69 23 33.3 -0.3 .
1 258 GLN 7 16 28 15 53.6 0.7 .
1 259 ALA 3 9 13 8 61.5 1.1 >sigma
1 260 GLN 7 19 34 15 44.1 0.2 .
1 261 ILE 6 18 56 15 26.8 -0.6 .
1 262 GLY 3 9 9 7 77.8 1.9 >sigma
1 263 THR 4 3 13 2 15.4 -1.2 >sigma
stop_
save_
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