Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
545383 | 2lgz RC | 16701 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2lgz
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 273
_NOE_completeness_stats.Total_atom_count 4340
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1523
_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 35.8
_NOE_completeness_stats.Constraint_unexpanded_count 1412
_NOE_completeness_stats.Constraint_count 1412
_NOE_completeness_stats.Constraint_exp_unfiltered_count 2369
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 1
_NOE_completeness_stats.Constraint_intraresidue_count 0
_NOE_completeness_stats.Constraint_surplus_count 9
_NOE_completeness_stats.Constraint_observed_count 1402
_NOE_completeness_stats.Constraint_expected_count 2360
_NOE_completeness_stats.Constraint_matched_count 846
_NOE_completeness_stats.Constraint_unmatched_count 556
_NOE_completeness_stats.Constraint_exp_nonobs_count 1514
_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 642 1215 595 49.0 0.7 .
medium-range 592 660 234 35.5 0.2 .
long-range 168 485 17 3.5 -1.0 .
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 6 5 0 3 1 0 0 0 1 0 . 0 83.3 83.3
shell 2.00 2.50 178 113 4 83 5 7 6 3 3 1 . 1 63.5 64.1
shell 2.50 3.00 318 135 0 53 14 18 22 15 4 6 . 3 42.5 50.4
shell 3.00 3.50 726 302 0 1 46 116 50 45 17 16 . 11 41.6 45.2
shell 3.50 4.00 1132 291 0 0 41 61 119 30 13 23 . 4 25.7 35.8
shell 4.00 4.50 1728 250 0 0 0 9 196 10 6 21 . 8 14.5 26.8
shell 4.50 5.00 2959 96 0 0 0 0 24 16 10 32 . 14 3.2 16.9
shell 5.00 5.50 3991 102 0 0 0 0 0 3 10 66 . 23 2.6 11.7
shell 5.50 6.00 4785 67 0 0 0 0 0 0 2 52 . 13 1.4 8.6
shell 6.00 6.50 5150 24 0 0 0 0 0 0 0 17 . 7 0.5 6.6
shell 6.50 7.00 5739 10 0 0 0 0 0 0 0 2 . 8 0.2 5.2
shell 7.00 7.50 6400 4 0 0 0 0 0 0 1 1 . 2 0.1 4.2
shell 7.50 8.00 7294 0 0 0 0 0 0 0 0 0 . 0 0.0 3.5
shell 8.00 8.50 7916 1 0 0 0 0 0 0 0 1 . 0 0.0 2.9
shell 8.50 9.00 8312 0 0 0 0 0 0 0 0 0 . 0 0.0 2.5
sums . . 56634 1400 4 140 107 211 417 122 67 238 . 94 . .
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 1 0 0.0 -1.8 >sigma
1 2 GLY 3 0 3 0 0.0 -1.8 >sigma
1 3 SER 4 0 5 0 0.0 -1.8 >sigma
1 4 SER 4 0 6 0 0.0 -1.8 >sigma
1 5 HIS 6 0 7 0 0.0 -1.8 >sigma
1 6 HIS 6 0 7 0 0.0 -1.8 >sigma
1 7 HIS 6 0 7 0 0.0 -1.8 >sigma
1 8 HIS 6 0 8 0 0.0 -1.8 >sigma
1 9 HIS 6 0 8 0 0.0 -1.8 >sigma
1 10 HIS 6 0 7 0 0.0 -1.8 >sigma
1 11 SER 4 0 7 0 0.0 -1.8 >sigma
1 12 SER 4 0 8 0 0.0 -1.8 >sigma
1 13 GLY 3 0 6 0 0.0 -1.8 >sigma
1 14 LEU 7 0 6 0 0.0 -1.8 >sigma
1 15 VAL 5 0 10 0 0.0 -1.8 >sigma
1 16 PRO 5 0 9 0 0.0 -1.8 >sigma
1 17 ARG 7 0 8 0 0.0 -1.8 >sigma
1 18 GLY 3 0 8 0 0.0 -1.8 >sigma
1 19 SER 4 0 7 0 0.0 -1.8 >sigma
1 20 HIS 6 0 9 0 0.0 -1.8 >sigma
1 21 SER 4 8 15 6 40.0 0.1 .
1 22 THR 4 13 37 8 21.6 -0.8 .
1 23 TRP 10 15 14 8 57.1 0.9 .
1 24 VAL 5 18 28 10 35.7 -0.1 .
1 25 THR 4 14 16 10 62.5 1.1 >sigma
1 26 ARG 7 29 55 16 29.1 -0.4 .
1 27 THR 4 13 23 9 39.1 0.0 .
1 28 ALA 3 10 11 8 72.7 1.6 >sigma
1 29 TYR 6 11 15 5 33.3 -0.2 .
1 30 SER 4 2 9 2 22.2 -0.8 .
1 31 SER 4 2 8 1 12.5 -1.2 >sigma
1 32 PRO 5 2 8 2 25.0 -0.6 .
1 33 SER 4 9 12 5 41.7 0.2 .
1 34 VAL 5 15 22 7 31.8 -0.3 .
1 35 VAL 5 14 30 6 20.0 -0.9 .
1 36 LEU 7 10 22 3 13.6 -1.2 >sigma
1 37 PRO 5 2 16 2 12.5 -1.2 >sigma
1 38 SER 4 6 9 4 44.4 0.3 .
1 39 GLN 7 10 13 6 46.2 0.4 .
1 40 THR 4 9 10 5 50.0 0.6 .
1 41 PRO 5 3 12 2 16.7 -1.0 >sigma
1 42 ASP 4 7 9 5 55.6 0.8 .
1 43 GLY 3 5 8 5 62.5 1.1 >sigma
1 44 LYS 7 7 8 4 50.0 0.6 .
1 45 LEU 7 15 52 8 15.4 -1.1 >sigma
1 46 ALA 3 16 21 7 33.3 -0.2 .
1 47 LEU 7 18 39 11 28.2 -0.5 .
1 48 ILE 6 18 47 8 17.0 -1.0 .
1 49 ASP 4 16 24 10 41.7 0.2 .
1 50 ASP 4 14 28 8 28.6 -0.5 .
1 51 PHE 7 21 18 9 50.0 0.6 .
1 52 ARG 7 17 38 8 21.1 -0.8 .
1 53 GLU 5 19 42 9 21.4 -0.8 .
1 54 ALA 3 20 28 8 28.6 -0.5 .
1 55 TYR 6 16 29 12 41.4 0.1 .
1 56 TYR 6 19 32 9 28.1 -0.5 .
1 57 TRP 10 13 17 11 64.7 1.2 >sigma
1 58 LEU 7 14 14 8 57.1 0.9 .
1 59 ARG 7 13 22 10 45.5 0.3 .
1 60 MET 6 10 17 8 47.1 0.4 .
1 61 ASN 6 5 10 4 40.0 0.1 .
1 62 SER 4 5 14 3 21.4 -0.8 .
1 63 ASP 4 7 11 5 45.5 0.3 .
1 64 GLU 5 9 11 5 45.5 0.3 .
1 65 ASP 4 6 9 5 55.6 0.8 .
1 66 SER 4 8 21 6 28.6 -0.5 .
1 67 LYS 7 11 23 6 26.1 -0.6 .
1 68 VAL 5 13 19 6 31.6 -0.3 .
1 69 ALA 3 16 30 8 26.7 -0.5 .
1 70 ALA 3 14 29 7 24.1 -0.7 .
1 71 TRP 10 17 23 9 39.1 0.0 .
1 72 TRP 10 16 25 9 36.0 -0.1 .
1 73 ASP 4 16 20 10 50.0 0.6 .
1 74 TYR 6 14 16 8 50.0 0.6 .
1 75 GLY 3 14 22 8 36.4 -0.1 .
1 76 TYR 6 17 35 9 25.7 -0.6 .
1 77 GLN 7 14 35 8 22.9 -0.7 .
1 78 ILE 6 16 29 8 27.6 -0.5 .
1 79 GLY 3 16 23 7 30.4 -0.4 .
1 80 GLY 3 9 10 5 50.0 0.6 .
1 81 MET 6 12 43 5 11.6 -1.3 >sigma
1 82 ALA 3 12 13 5 38.5 0.0 .
1 83 ASP 4 8 8 5 62.5 1.1 >sigma
1 84 ARG 7 13 13 6 46.2 0.4 .
1 85 THR 4 7 8 5 62.5 1.1 >sigma
1 86 THR 4 8 8 5 62.5 1.1 >sigma
1 87 LEU 7 12 29 7 24.1 -0.7 .
1 88 VAL 5 9 16 4 25.0 -0.6 .
1 89 ASP 4 7 13 5 38.5 0.0 .
1 90 ASN 6 11 18 8 44.4 0.3 .
1 91 ASN 6 10 20 8 40.0 0.1 .
1 92 THR 4 11 9 7 77.8 1.9 >sigma
1 93 TRP 10 12 11 8 72.7 1.6 >sigma
1 94 ASN 6 12 33 10 30.3 -0.4 .
1 95 ASN 6 13 12 8 66.7 1.3 >sigma
1 96 THR 4 13 13 9 69.2 1.5 >sigma
1 97 HIS 6 12 24 8 33.3 -0.2 .
1 98 ILE 6 18 37 11 29.7 -0.4 .
1 99 ALA 3 16 24 9 37.5 -0.0 .
1 100 ILE 6 17 32 9 28.1 -0.5 .
1 101 VAL 5 18 30 8 26.7 -0.5 .
1 102 GLY 3 15 20 7 35.0 -0.2 .
1 103 LYS 7 14 16 6 37.5 -0.0 .
1 104 ALA 3 15 27 7 25.9 -0.6 .
1 105 ASN 6 16 22 8 36.4 -0.1 .
1 106 ALA 3 15 16 8 50.0 0.6 .
1 107 SER 4 7 11 5 45.5 0.3 .
1 108 PRO 5 2 6 2 33.3 -0.2 .
1 109 GLU 5 6 14 4 28.6 -0.5 .
1 110 GLU 5 5 14 4 28.6 -0.5 .
1 111 LYS 7 11 11 6 54.5 0.8 .
1 112 SER 4 7 13 6 46.2 0.4 .
1 113 TYR 6 14 20 8 40.0 0.1 .
1 114 GLU 5 10 20 7 35.0 -0.2 .
1 115 ILE 6 15 39 10 25.6 -0.6 .
1 116 LEU 7 11 36 8 22.2 -0.8 .
1 117 LYS 7 13 28 9 32.1 -0.3 .
1 118 GLU 5 15 21 10 47.6 0.4 .
1 119 HIS 6 14 22 11 50.0 0.6 .
1 120 ASP 4 16 17 10 58.8 1.0 .
1 121 VAL 5 16 34 9 26.5 -0.6 .
1 122 ASP 4 16 19 10 52.6 0.7 .
1 123 TYR 6 16 28 11 39.3 0.1 .
1 124 VAL 5 15 34 10 29.4 -0.4 .
1 125 LEU 7 15 27 10 37.0 -0.1 .
1 126 VAL 5 16 26 9 34.6 -0.2 .
1 127 ILE 6 15 25 10 40.0 0.1 .
1 128 PHE 7 16 19 10 52.6 0.7 .
1 129 GLY 3 14 11 7 63.6 1.2 >sigma
1 130 GLY 3 13 20 7 35.0 -0.2 .
1 131 LEU 7 9 8 6 75.0 1.7 >sigma
1 132 ILE 6 12 16 7 43.8 0.3 .
1 133 GLY 3 8 24 5 20.8 -0.8 .
1 134 PHE 7 10 11 5 45.5 0.3 .
1 135 GLY 3 9 9 5 55.6 0.8 .
1 136 GLY 3 6 7 5 71.4 1.6 >sigma
1 137 ASP 4 6 7 4 57.1 0.9 .
1 138 ASP 4 5 7 3 42.9 0.2 .
1 139 ILE 6 0 10 0 0.0 -1.8 >sigma
1 140 ASN 6 0 7 0 0.0 -1.8 >sigma
1 141 LYS 7 1 7 1 14.3 -1.1 >sigma
1 142 PHE 7 4 24 2 8.3 -1.4 >sigma
1 143 LEU 7 3 17 2 11.8 -1.2 >sigma
1 144 TRP 10 14 32 4 12.5 -1.2 >sigma
1 145 ASN 6 4 7 4 57.1 0.9 .
1 146 ILE 6 1 9 1 11.1 -1.3 >sigma
1 147 ARG 7 2 8 2 25.0 -0.6 .
1 148 ILE 6 8 9 4 44.4 0.3 .
1 149 SER 4 7 7 4 57.1 0.9 .
1 150 GLU 5 8 6 5 83.3 2.1 >sigma
1 151 GLY 3 6 7 5 71.4 1.6 >sigma
1 152 ILE 6 6 6 3 50.0 0.6 .
1 153 TRP 10 5 12 1 8.3 -1.4 >sigma
1 154 PRO 5 3 16 0 0.0 -1.8 >sigma
1 155 GLU 5 7 16 5 31.3 -0.3 .
1 156 GLU 5 14 22 8 36.4 -0.1 .
1 157 ILE 6 16 21 9 42.9 0.2 .
1 158 LYS 7 16 22 10 45.5 0.3 .
1 159 GLU 5 15 17 10 58.8 1.0 .
1 160 ARG 7 12 13 8 61.5 1.1 >sigma
1 161 ASP 4 13 12 8 66.7 1.3 >sigma
1 162 PHE 7 11 14 8 57.1 0.9 .
1 163 TYR 6 10 11 6 54.5 0.8 .
1 164 THR 4 5 6 4 66.7 1.3 >sigma
1 165 ALA 3 6 10 4 40.0 0.1 .
1 166 GLU 5 10 9 5 55.6 0.8 .
1 167 GLY 3 6 8 4 50.0 0.6 .
1 168 GLU 5 3 9 3 33.3 -0.2 .
1 169 TYR 6 4 11 4 36.4 -0.1 .
1 170 ARG 7 3 10 3 30.0 -0.4 .
1 171 VAL 5 10 11 4 36.4 -0.1 .
1 172 ASP 4 9 7 5 71.4 1.6 >sigma
1 173 ALA 3 10 15 4 26.7 -0.5 .
1 174 ARG 7 6 8 3 37.5 -0.0 .
1 175 ALA 3 5 10 4 40.0 0.1 .
1 176 SER 4 11 12 9 75.0 1.7 >sigma
1 177 GLU 5 12 17 7 41.2 0.1 .
1 178 THR 4 14 17 10 58.8 1.0 .
1 179 MET 6 14 14 9 64.3 1.2 >sigma
1 180 ARG 7 15 14 11 78.6 1.9 >sigma
1 181 ASN 6 15 20 11 55.0 0.8 .
1 182 SER 4 14 17 11 64.7 1.2 >sigma
1 183 LEU 7 14 16 10 62.5 1.1 >sigma
1 184 LEU 7 13 15 9 60.0 1.0 >sigma
1 185 TYR 6 16 24 11 45.8 0.4 .
1 186 LYS 7 14 23 12 52.2 0.7 .
1 187 MET 6 14 18 10 55.6 0.8 .
1 188 SER 4 13 13 9 69.2 1.5 >sigma
1 189 TYR 6 19 17 11 64.7 1.2 >sigma
1 190 LYS 7 14 16 9 56.3 0.8 .
1 191 ASP 4 13 12 8 66.7 1.3 >sigma
1 192 PHE 7 8 12 4 33.3 -0.2 .
1 193 PRO 5 2 8 2 25.0 -0.6 .
1 194 GLN 7 10 9 6 66.7 1.3 >sigma
1 195 LEU 7 9 8 6 75.0 1.7 >sigma
1 196 PHE 7 11 6 6 100.0 2.9 >sigma
1 197 ASN 6 11 6 4 66.7 1.3 >sigma
1 198 GLY 3 7 13 4 30.8 -0.4 .
1 199 GLY 3 6 9 3 33.3 -0.2 .
1 200 GLN 7 9 11 5 45.5 0.3 .
1 201 ALA 3 11 17 8 47.1 0.4 .
1 202 THR 4 19 21 7 33.3 -0.2 .
1 203 ASP 4 13 16 9 56.3 0.8 .
1 204 ARG 7 15 14 8 57.1 0.9 .
1 205 VAL 5 17 26 11 42.3 0.2 .
1 206 ARG 7 14 21 9 42.9 0.2 .
1 207 GLN 7 15 16 10 62.5 1.1 >sigma
1 208 GLN 7 11 14 7 50.0 0.6 .
1 209 MET 6 9 16 8 50.0 0.6 .
1 210 ILE 6 9 25 6 24.0 -0.7 .
1 211 THR 4 6 10 3 30.0 -0.4 .
1 212 PRO 5 2 11 2 18.2 -0.9 .
1 213 LEU 7 9 16 4 25.0 -0.6 .
1 214 ASP 4 7 11 5 45.5 0.3 .
1 215 VAL 5 4 23 3 13.0 -1.2 >sigma
1 216 PRO 5 0 14 0 0.0 -1.8 >sigma
1 217 PRO 5 1 27 1 3.7 -1.6 >sigma
1 218 LEU 7 10 19 6 31.6 -0.3 .
1 219 ASP 4 11 25 8 32.0 -0.3 .
1 220 TYR 6 15 29 9 31.0 -0.3 .
1 221 PHE 7 14 34 10 29.4 -0.4 .
1 222 ASP 4 16 22 13 59.1 1.0 .
1 223 GLU 5 17 21 9 42.9 0.2 .
1 224 VAL 5 16 25 10 40.0 0.1 .
1 225 PHE 7 12 20 11 55.0 0.8 .
1 226 THR 4 11 16 8 50.0 0.6 .
1 227 SER 4 9 19 8 42.1 0.2 .
1 228 GLU 5 5 21 3 14.3 -1.1 >sigma
1 229 ASN 6 4 25 1 4.0 -1.6 >sigma
1 230 TRP 10 8 17 1 5.9 -1.5 >sigma
1 231 ASN 6 9 22 6 27.3 -0.5 .
1 232 VAL 5 18 39 9 23.1 -0.7 .
1 233 ARG 7 18 35 10 28.6 -0.5 .
1 234 ILE 6 21 28 10 35.7 -0.1 .
1 235 TYR 6 19 26 9 34.6 -0.2 .
1 236 GLN 7 18 27 11 40.7 0.1 .
1 237 LEU 7 22 34 10 29.4 -0.4 .
1 238 LYS 7 15 16 9 56.3 0.8 .
1 239 LYS 7 17 39 11 28.2 -0.5 .
1 240 ASP 4 13 22 10 45.5 0.3 .
1 241 ASP 4 11 14 8 57.1 0.9 .
1 242 ALA 3 11 16 7 43.8 0.3 .
1 243 GLN 7 7 21 5 23.8 -0.7 .
1 244 GLY 3 8 10 4 40.0 0.1 .
1 245 ARG 7 7 12 4 33.3 -0.2 .
1 246 THR 4 14 24 10 41.7 0.2 .
1 247 LEU 7 15 32 7 21.9 -0.8 .
1 248 ARG 7 18 25 11 44.0 0.3 .
1 249 ASP 4 15 24 10 41.7 0.2 .
1 250 VAL 5 21 28 13 46.4 0.4 .
1 251 GLY 3 14 14 8 57.1 0.9 .
1 252 GLU 5 14 35 10 28.6 -0.5 .
1 253 LEU 7 17 32 11 34.4 -0.2 .
1 254 THR 4 13 17 10 58.8 1.0 .
1 255 ARG 7 11 25 8 32.0 -0.3 .
1 256 SER 4 5 9 3 33.3 -0.2 .
1 257 SER 4 0 7 0 0.0 -1.8 >sigma
1 258 THR 4 0 8 0 0.0 -1.8 >sigma
1 259 LYS 7 3 8 2 25.0 -0.6 .
1 260 THR 4 8 8 5 62.5 1.1 >sigma
1 261 ARG 7 11 11 8 72.7 1.6 >sigma
1 262 ARG 7 7 8 5 62.5 1.1 >sigma
1 263 SER 4 11 11 7 63.6 1.2 >sigma
1 264 ILE 6 9 10 4 40.0 0.1 .
1 265 LYS 7 11 10 5 50.0 0.6 .
1 266 ARG 7 7 11 2 18.2 -0.9 .
1 267 PRO 5 4 16 2 12.5 -1.2 >sigma
1 268 GLU 5 13 7 6 85.7 2.2 >sigma
1 269 LEU 7 11 9 7 77.8 1.9 >sigma
1 270 GLY 3 11 9 6 66.7 1.3 >sigma
1 271 LEU 7 10 8 7 87.5 2.3 >sigma
1 272 ARG 7 11 6 6 100.0 2.9 >sigma
1 273 VAL 5 10 14 6 42.9 0.2 .
stop_
save_