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 |
|
|
635465 |
6qeb   |
34347 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6qeb
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 262
_NOE_completeness_stats.Total_atom_count 4122
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1453
_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 34.7
_NOE_completeness_stats.Constraint_unexpanded_count 1747
_NOE_completeness_stats.Constraint_count 7393
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4050
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 5
_NOE_completeness_stats.Constraint_intraresidue_count 2661
_NOE_completeness_stats.Constraint_surplus_count 2739
_NOE_completeness_stats.Constraint_observed_count 1988
_NOE_completeness_stats.Constraint_expected_count 2019
_NOE_completeness_stats.Constraint_matched_count 701
_NOE_completeness_stats.Constraint_unmatched_count 1287
_NOE_completeness_stats.Constraint_exp_nonobs_count 1318
_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 725 1030 472 45.8 0.9 .
medium-range 389 317 98 30.9 -0.1 .
long-range 874 672 131 19.5 -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 6 1 1 0 0 0 0 0 0 0 . 0 16.7 16.7
shell 2.00 2.50 221 161 116 40 0 0 0 0 0 0 . 1 72.9 71.4
shell 2.50 3.00 262 150 88 44 0 0 0 2 4 1 . 5 57.3 63.8
shell 3.00 3.50 554 203 117 66 0 0 0 0 0 0 . 14 36.6 49.4
shell 3.50 4.00 976 186 77 73 0 0 0 1 8 1 . 17 19.1 34.7
shell 4.00 4.50 1634 261 66 89 0 0 0 9 24 12 . 51 16.0 26.3
shell 4.50 5.00 2462 212 38 61 0 0 0 4 24 5 . 77 8.6 19.2
shell 5.00 5.50 3396 163 36 37 0 0 0 4 18 5 . 62 4.8 14.1
shell 5.50 6.00 4058 139 21 26 0 0 0 4 16 1 . 67 3.4 10.9
shell 6.00 6.50 4688 101 7 20 0 0 0 1 3 2 . 67 2.2 8.6
shell 6.50 7.00 5208 61 2 14 0 0 0 1 3 3 . 38 1.2 7.0
shell 7.00 7.50 5465 57 6 6 0 0 0 0 1 1 . 42 1.0 5.9
shell 7.50 8.00 5996 39 2 4 0 0 0 0 2 0 . 31 0.7 5.0
shell 8.00 8.50 6676 30 0 7 0 0 0 0 3 1 . 19 0.4 4.2
shell 8.50 9.00 7290 21 0 5 0 0 0 0 0 0 . 16 0.3 3.7
sums . . 48892 1785 577 492 0 0 0 26 106 32 . 507 . .
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 3 0 0.0 -1.8 >sigma
1 2 SER 4 0 7 0 0.0 -1.8 >sigma
1 3 HIS 6 0 8 0 0.0 -1.8 >sigma
1 4 HIS 6 0 8 0 0.0 -1.8 >sigma
1 5 TRP 10 3 7 1 14.3 -1.1 >sigma
1 6 GLY 3 5 6 4 66.7 1.4 >sigma
1 7 TYR 6 10 8 6 75.0 1.8 >sigma
1 8 GLY 3 15 12 6 50.0 0.6 .
1 9 LYS 7 6 10 3 30.0 -0.3 .
1 10 HIS 6 0 12 0 0.0 -1.8 >sigma
1 11 ASN 6 0 11 0 0.0 -1.8 >sigma
1 12 GLY 3 9 9 0 0.0 -1.8 >sigma
1 13 PRO 5 0 6 0 0.0 -1.8 >sigma
1 14 GLU 5 4 8 0 0.0 -1.8 >sigma
1 15 HIS 6 7 17 2 11.8 -1.2 >sigma
1 16 TRP 10 13 10 4 40.0 0.1 .
1 17 HIS 6 17 16 7 43.8 0.3 .
1 18 LYS 7 9 16 6 37.5 0.0 .
1 19 ASP 4 12 14 6 42.9 0.3 .
1 20 PHE 7 22 23 6 26.1 -0.5 .
1 21 PRO 5 0 16 0 0.0 -1.8 >sigma
1 22 ILE 6 32 26 6 23.1 -0.7 .
1 23 ALA 3 20 19 9 47.4 0.5 .
1 24 LYS 7 14 13 5 38.5 0.1 .
1 25 GLY 3 17 10 5 50.0 0.6 .
1 26 GLU 5 12 7 4 57.1 1.0 .
1 27 ARG 7 14 5 4 80.0 2.1 >sigma
1 28 GLN 7 18 6 4 66.7 1.4 >sigma
1 29 SER 4 8 8 2 25.0 -0.6 .
1 30 PRO 5 0 10 0 0.0 -1.8 >sigma
1 31 VAL 5 18 17 4 23.5 -0.6 .
1 32 ASP 4 12 10 4 40.0 0.1 .
1 33 ILE 6 18 36 6 16.7 -1.0 .
1 34 ASP 4 26 20 7 35.0 -0.1 .
1 35 THR 4 26 16 10 62.5 1.2 >sigma
1 36 HIS 6 12 13 9 69.2 1.5 >sigma
1 37 THR 4 13 19 7 36.8 -0.0 .
1 38 ALA 3 16 19 6 31.6 -0.3 .
1 39 LYS 7 18 11 8 72.7 1.7 >sigma
1 40 TYR 6 14 21 7 33.3 -0.2 .
1 41 ASP 4 17 8 2 25.0 -0.6 .
1 42 PRO 5 0 10 0 0.0 -1.8 >sigma
1 43 SER 4 10 8 2 25.0 -0.6 .
1 44 LEU 7 19 13 4 30.8 -0.3 .
1 45 LYS 7 13 12 4 33.3 -0.2 .
1 46 PRO 5 0 8 0 0.0 -1.8 >sigma
1 47 LEU 7 15 12 5 41.7 0.2 .
1 48 SER 4 14 8 5 62.5 1.2 >sigma
1 49 VAL 5 10 16 4 25.0 -0.6 .
1 50 SER 4 17 19 7 36.8 -0.0 .
1 51 TYR 6 29 17 9 52.9 0.8 .
1 52 ASP 4 11 9 6 66.7 1.4 >sigma
1 53 GLN 7 12 12 8 66.7 1.4 >sigma
1 54 ALA 3 16 25 11 44.0 0.3 .
1 55 THR 4 14 15 8 53.3 0.8 .
1 56 SER 4 12 10 3 30.0 -0.3 .
1 57 LEU 7 12 8 3 37.5 0.0 .
1 58 ARG 7 6 13 2 15.4 -1.0 >sigma
1 59 ILE 6 8 21 2 9.5 -1.3 >sigma
1 60 LEU 7 15 17 5 29.4 -0.4 .
1 61 ASN 6 23 33 12 36.4 -0.0 .
1 62 ASN 6 15 12 9 75.0 1.8 >sigma
1 63 GLY 3 24 17 12 70.6 1.6 >sigma
1 64 HIS 6 23 15 8 53.3 0.8 .
1 65 ALA 3 11 12 7 58.3 1.0 >sigma
1 66 PHE 7 19 17 4 23.5 -0.6 .
1 67 ASN 6 14 13 5 38.5 0.1 .
1 68 VAL 5 15 24 6 25.0 -0.6 .
1 69 GLU 5 7 12 2 16.7 -1.0 .
1 70 PHE 7 6 16 2 12.5 -1.2 >sigma
1 71 ASP 4 4 16 1 6.3 -1.5 >sigma
1 72 ASP 4 1 5 1 20.0 -0.8 .
1 73 SER 4 9 8 4 50.0 0.6 .
1 74 GLN 7 15 10 6 60.0 1.1 >sigma
1 75 ASP 4 15 8 5 62.5 1.2 >sigma
1 76 LYS 7 22 35 9 25.7 -0.5 .
1 77 ALA 3 15 25 9 36.0 -0.0 .
1 78 VAL 5 20 22 9 40.9 0.2 .
1 79 LEU 7 20 26 8 30.8 -0.3 .
1 80 LYS 7 24 24 7 29.2 -0.4 .
1 81 GLY 3 16 11 6 54.5 0.8 .
1 82 GLY 3 26 10 4 40.0 0.1 .
1 83 PRO 5 0 11 0 0.0 -1.8 >sigma
1 84 LEU 7 15 21 5 23.8 -0.6 .
1 85 ASP 4 15 6 3 50.0 0.6 .
1 86 GLY 3 34 13 8 61.5 1.2 >sigma
1 87 THR 4 25 22 8 36.4 -0.0 .
1 88 TYR 6 18 26 7 26.9 -0.5 .
1 89 ARG 7 23 17 7 41.2 0.2 .
1 90 LEU 7 14 18 4 22.2 -0.7 .
1 91 ILE 6 24 20 7 35.0 -0.1 .
1 92 GLN 7 24 22 8 36.4 -0.0 .
1 93 PHE 7 23 43 11 25.6 -0.5 .
1 94 HIS 6 22 23 8 34.8 -0.1 .
1 95 PHE 7 13 21 4 19.0 -0.9 .
1 96 HIS 6 12 20 7 35.0 -0.1 .
1 97 TRP 10 33 10 6 60.0 1.1 >sigma
1 98 GLY 3 23 7 5 71.4 1.6 >sigma
1 99 SER 4 24 8 4 50.0 0.6 .
1 100 LEU 7 16 13 9 69.2 1.5 >sigma
1 101 ASP 4 4 6 4 66.7 1.4 >sigma
1 102 GLY 3 6 8 5 62.5 1.2 >sigma
1 103 GLN 7 19 16 7 43.8 0.3 .
1 104 GLY 3 12 12 7 58.3 1.0 >sigma
1 105 SER 4 23 19 9 47.4 0.5 .
1 106 GLU 5 16 16 3 18.8 -0.9 .
1 107 HIS 6 10 16 5 31.3 -0.3 .
1 108 THR 4 18 21 6 28.6 -0.4 .
1 109 VAL 5 15 30 6 20.0 -0.8 .
1 110 ASP 4 21 21 10 47.6 0.5 .
1 111 LYS 7 18 9 3 33.3 -0.2 .
1 112 LYS 7 15 10 6 60.0 1.1 >sigma
1 113 LYS 7 30 27 9 33.3 -0.2 .
1 114 TYR 6 20 30 11 36.7 -0.0 .
1 115 ALA 3 25 15 11 73.3 1.7 >sigma
1 116 ALA 3 15 17 9 52.9 0.8 .
1 117 GLU 5 18 21 7 33.3 -0.2 .
1 118 LEU 7 29 49 6 12.2 -1.2 >sigma
1 119 HIS 6 10 22 4 18.2 -0.9 .
1 120 LEU 7 4 39 1 2.6 -1.6 >sigma
1 121 VAL 5 20 24 5 20.8 -0.8 .
1 122 HIS 6 13 18 5 27.8 -0.4 .
1 123 TRP 10 42 18 8 44.4 0.4 .
1 124 ASN 6 17 21 5 23.8 -0.6 .
1 125 THR 4 16 17 6 35.3 -0.1 .
1 126 LYS 7 25 11 7 63.6 1.3 >sigma
1 127 TYR 6 20 33 15 45.5 0.4 .
1 128 GLY 3 10 9 7 77.8 1.9 >sigma
1 129 ASP 4 22 13 11 84.6 2.3 >sigma
1 130 PHE 7 16 15 6 40.0 0.1 .
1 131 GLY 3 11 16 7 43.8 0.3 .
1 132 LYS 7 17 19 9 47.4 0.5 .
1 133 ALA 3 29 34 16 47.1 0.5 .
1 134 VAL 5 26 24 11 45.8 0.4 .
1 135 GLN 7 22 15 10 66.7 1.4 >sigma
1 136 GLN 7 12 18 8 44.4 0.4 .
1 137 PRO 5 0 12 0 0.0 -1.8 >sigma
1 138 ASP 4 10 10 3 30.0 -0.3 .
1 139 GLY 3 16 17 8 47.1 0.5 .
1 140 LEU 7 40 29 9 31.0 -0.3 .
1 141 ALA 3 12 19 2 10.5 -1.3 >sigma
1 142 VAL 5 8 31 3 9.7 -1.3 >sigma
1 143 LEU 7 2 39 0 0.0 -1.8 >sigma
1 144 GLY 3 7 13 1 7.7 -1.4 >sigma
1 145 ILE 6 7 39 0 0.0 -1.8 >sigma
1 146 PHE 7 27 20 3 15.0 -1.0 >sigma
1 147 LEU 7 23 31 8 25.8 -0.5 .
1 148 LYS 7 13 15 5 33.3 -0.2 .
1 149 VAL 5 15 18 6 33.3 -0.2 .
1 150 GLY 3 12 10 6 60.0 1.1 >sigma
1 151 SER 4 7 5 3 60.0 1.1 >sigma
1 152 ALA 3 17 4 3 75.0 1.8 >sigma
1 153 LYS 7 34 25 10 40.0 0.1 .
1 154 PRO 5 0 9 0 0.0 -1.8 >sigma
1 155 GLY 3 6 15 4 26.7 -0.5 .
1 156 LEU 7 18 21 5 23.8 -0.6 .
1 157 GLN 7 20 15 7 46.7 0.5 .
1 158 LYS 7 16 15 5 33.3 -0.2 .
1 159 VAL 5 30 26 9 34.6 -0.1 .
1 160 VAL 5 18 25 8 32.0 -0.2 .
1 161 ASP 4 17 16 4 25.0 -0.6 .
1 162 VAL 5 22 15 7 46.7 0.5 .
1 163 LEU 7 72 33 14 42.4 0.3 .
1 164 ASP 4 20 13 9 69.2 1.5 >sigma
1 165 SER 4 18 16 9 56.3 0.9 .
1 166 ILE 6 28 28 9 32.1 -0.2 .
1 167 LYS 7 10 13 5 38.5 0.1 .
1 168 THR 4 24 14 5 35.7 -0.1 .
1 169 LYS 7 42 29 18 62.1 1.2 >sigma
1 170 GLY 3 17 14 8 57.1 1.0 .
1 171 LYS 7 20 16 9 56.3 0.9 .
1 172 SER 4 19 19 10 52.6 0.7 .
1 173 ALA 3 20 12 7 58.3 1.0 >sigma
1 174 ASP 4 19 8 4 50.0 0.6 .
1 175 PHE 7 12 9 4 44.4 0.4 .
1 176 THR 4 10 9 3 33.3 -0.2 .
1 177 ASN 6 17 6 3 50.0 0.6 .
1 178 PHE 7 8 15 3 20.0 -0.8 .
1 179 ASP 4 7 10 3 30.0 -0.3 .
1 180 PRO 5 0 19 0 0.0 -1.8 >sigma
1 181 ARG 7 10 15 4 26.7 -0.5 .
1 182 GLY 3 9 12 5 41.7 0.2 .
1 183 LEU 7 7 7 5 71.4 1.6 >sigma
1 184 LEU 7 9 11 4 36.4 -0.0 .
1 185 PRO 5 0 12 0 0.0 -1.8 >sigma
1 186 GLU 5 1 8 1 12.5 -1.2 >sigma
1 187 SER 4 7 11 4 36.4 -0.0 .
1 188 LEU 7 10 9 7 77.8 1.9 >sigma
1 189 ASP 4 16 15 6 40.0 0.1 .
1 190 TYR 6 22 15 7 46.7 0.5 .
1 191 TRP 10 35 18 9 50.0 0.6 .
1 192 THR 4 23 22 7 31.8 -0.2 .
1 193 TYR 6 12 21 6 28.6 -0.4 .
1 194 PRO 5 0 15 0 0.0 -1.8 >sigma
1 195 GLY 3 14 9 3 33.3 -0.2 .
1 196 SER 4 38 9 5 55.6 0.9 .
1 197 LEU 7 19 12 6 50.0 0.6 .
1 198 THR 4 7 12 6 50.0 0.6 .
1 199 THR 4 19 12 4 33.3 -0.2 .
1 200 PRO 5 0 8 0 0.0 -1.8 >sigma
1 201 PRO 5 0 6 0 0.0 -1.8 >sigma
1 202 LEU 7 17 6 3 50.0 0.6 .
1 203 LEU 7 24 11 7 63.6 1.3 >sigma
1 204 GLU 5 18 10 7 70.0 1.6 >sigma
1 205 CYS 4 29 12 8 66.7 1.4 >sigma
1 206 VAL 5 28 13 7 53.8 0.8 .
1 207 THR 4 14 25 7 28.0 -0.4 .
1 208 TRP 10 10 20 4 20.0 -0.8 .
1 209 ILE 6 23 32 6 18.8 -0.9 .
1 210 VAL 5 11 18 4 22.2 -0.7 .
1 211 LEU 7 24 20 5 25.0 -0.6 .
1 212 LYS 7 14 11 6 54.5 0.8 .
1 213 GLU 5 3 12 3 25.0 -0.6 .
1 214 PRO 5 0 11 0 0.0 -1.8 >sigma
1 215 ILE 6 3 11 0 0.0 -1.8 >sigma
1 216 SER 4 4 9 0 0.0 -1.8 >sigma
1 217 VAL 5 9 11 0 0.0 -1.8 >sigma
1 218 SER 4 28 20 9 45.0 0.4 .
1 219 SER 4 17 14 7 50.0 0.6 .
1 220 GLU 5 9 17 6 35.3 -0.1 .
1 221 GLN 7 24 21 12 57.1 1.0 .
1 222 VAL 5 23 25 10 40.0 0.1 .
1 223 LEU 7 14 22 8 36.4 -0.0 .
1 224 LYS 7 24 23 8 34.8 -0.1 .
1 225 PHE 7 17 25 10 40.0 0.1 .
1 226 ARG 7 30 18 9 50.0 0.6 .
1 227 LYS 7 15 15 9 60.0 1.1 >sigma
1 228 LEU 7 21 16 6 37.5 0.0 .
1 229 ASN 6 21 9 6 66.7 1.4 >sigma
1 230 PHE 7 21 15 6 40.0 0.1 .
1 231 ASN 6 18 14 5 35.7 -0.1 .
1 232 GLY 3 19 7 5 71.4 1.6 >sigma
1 233 GLU 5 11 8 4 50.0 0.6 .
1 234 GLY 3 6 9 5 55.6 0.9 .
1 235 GLU 5 9 11 4 36.4 -0.0 .
1 236 PRO 5 0 8 0 0.0 -1.8 >sigma
1 237 GLU 5 5 4 1 25.0 -0.6 .
1 238 GLU 5 14 6 4 66.7 1.4 >sigma
1 239 LEU 7 14 8 4 50.0 0.6 .
1 240 MET 6 31 11 6 54.5 0.8 .
1 241 VAL 5 26 15 5 33.3 -0.2 .
1 242 ASP 4 21 11 5 45.5 0.4 .
1 243 ASN 6 20 11 5 45.5 0.4 .
1 244 TRP 10 21 9 4 44.4 0.4 .
1 245 ARG 7 18 20 3 15.0 -1.0 >sigma
1 246 PRO 5 0 11 0 0.0 -1.8 >sigma
1 247 ALA 3 10 12 3 25.0 -0.6 .
1 248 GLN 7 8 8 3 37.5 0.0 .
1 249 PRO 5 0 12 0 0.0 -1.8 >sigma
1 250 LEU 7 18 10 4 40.0 0.1 .
1 251 LYS 7 12 12 8 66.7 1.4 >sigma
1 252 ASN 6 18 9 6 66.7 1.4 >sigma
1 253 ARG 7 10 10 5 50.0 0.6 .
1 254 GLN 7 7 11 4 36.4 -0.0 .
1 255 ILE 6 28 33 8 24.2 -0.6 .
1 256 LYS 7 18 12 7 58.3 1.0 >sigma
1 257 ALA 3 19 20 11 55.0 0.9 .
1 258 SER 4 16 11 7 63.6 1.3 >sigma
1 259 PHE 7 21 18 8 44.4 0.4 .
1 260 LYS 7 7 14 4 28.6 -0.4 .
stop_
save_
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