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 |
|
|
635836 |
6i3r   |
34326 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6i3r
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 259
_NOE_completeness_stats.Total_atom_count 3973
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1410
_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 48.5
_NOE_completeness_stats.Constraint_unexpanded_count 2660
_NOE_completeness_stats.Constraint_count 2660
_NOE_completeness_stats.Constraint_exp_unfiltered_count 2460
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 0
_NOE_completeness_stats.Constraint_intraresidue_count 690
_NOE_completeness_stats.Constraint_surplus_count 161
_NOE_completeness_stats.Constraint_observed_count 1809
_NOE_completeness_stats.Constraint_expected_count 2317
_NOE_completeness_stats.Constraint_matched_count 1123
_NOE_completeness_stats.Constraint_unmatched_count 686
_NOE_completeness_stats.Constraint_exp_nonobs_count 1194
_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 800 1005 546 54.3 0.8 .
medium-range 359 508 194 38.2 -0.9 .
long-range 650 804 383 47.6 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 16 10 0 2 4 3 0 0 1 0 . 0 62.5 62.5
shell 2.00 2.50 200 149 0 19 75 36 16 2 1 0 . 0 74.5 73.6
shell 2.50 3.00 391 265 0 9 48 128 53 22 4 1 . 0 67.8 69.9
shell 3.00 3.50 666 334 0 0 27 108 134 53 12 0 . 0 50.2 59.5
shell 3.50 4.00 1044 365 0 0 1 44 164 121 30 5 . 0 35.0 48.5
shell 4.00 4.50 1767 360 0 0 0 8 91 170 76 15 . 0 20.4 36.3
shell 4.50 5.00 2487 192 0 0 0 0 6 62 91 33 . 0 7.7 25.5
shell 5.00 5.50 3123 105 0 0 0 0 0 11 39 55 . 0 3.4 18.4
shell 5.50 6.00 3683 28 0 0 0 0 1 2 19 6 . 0 0.8 13.5
shell 6.00 6.50 4137 1 0 0 0 0 0 0 1 0 . 0 0.0 10.3
shell 6.50 7.00 4346 0 0 0 0 0 0 0 0 0 . 0 0.0 8.3
shell 7.00 7.50 4503 0 0 0 0 0 0 0 0 0 . 0 0.0 6.9
shell 7.50 8.00 4930 0 0 0 0 0 0 0 0 0 . 0 0.0 5.8
shell 8.00 8.50 5048 0 0 0 0 0 0 0 0 0 . 0 0.0 5.0
shell 8.50 9.00 5395 0 0 0 0 0 0 0 0 0 . 0 0.0 4.3
sums . . 41736 1809 0 30 155 327 465 443 274 115 . 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 -2.3 >sigma
1 2 ALA 3 2 4 2 50.0 0.1 .
1 3 MET 6 6 7 5 71.4 1.2 >sigma
1 4 ASP 4 11 15 8 53.3 0.3 .
1 5 ILE 6 32 42 23 54.8 0.4 .
1 6 LYS 7 15 23 10 43.5 -0.2 .
1 7 SER 4 8 17 7 41.2 -0.3 .
1 8 PHE 7 14 21 10 47.6 0.0 .
1 9 LEU 7 29 41 21 51.2 0.2 .
1 10 TYR 6 16 26 9 34.6 -0.6 .
1 11 GLN 7 13 15 8 53.3 0.3 .
1 12 PHE 7 17 32 9 28.1 -0.9 .
1 13 CYS 4 25 26 19 73.1 1.2 >sigma
1 14 ALA 3 17 17 11 64.7 0.8 .
1 15 LYS 7 11 14 8 57.1 0.5 .
1 16 SER 4 22 21 14 66.7 0.9 .
1 17 GLN 7 19 12 10 83.3 1.7 >sigma
1 18 ILE 6 39 29 23 79.3 1.5 >sigma
1 19 GLU 5 20 15 12 80.0 1.6 >sigma
1 20 PRO 5 29 35 20 57.1 0.5 .
1 21 LYS 7 12 21 10 47.6 0.0 .
1 22 PHE 7 36 39 23 59.0 0.6 .
1 23 ASP 4 25 14 12 85.7 1.9 >sigma
1 24 ILE 6 41 45 23 51.1 0.2 .
1 25 ARG 7 13 15 8 53.3 0.3 .
1 26 GLN 7 17 20 12 60.0 0.6 .
1 27 THR 4 19 13 9 69.2 1.1 >sigma
1 28 GLY 3 6 11 1 9.1 -1.8 >sigma
1 29 PRO 5 12 20 8 40.0 -0.3 .
1 30 LYS 7 11 8 8 100.0 2.5 >sigma
1 31 ASN 6 14 14 10 71.4 1.2 >sigma
1 32 ARG 7 13 14 7 50.0 0.1 .
1 33 GLN 7 13 21 5 23.8 -1.1 >sigma
1 34 ARG 7 15 25 8 32.0 -0.7 .
1 35 PHE 7 42 45 30 66.7 0.9 .
1 36 LEU 7 35 29 19 65.5 0.9 .
1 37 CYS 4 33 23 20 87.0 1.9 >sigma
1 38 GLU 5 29 22 20 90.9 2.1 >sigma
1 39 VAL 5 63 41 36 87.8 2.0 >sigma
1 40 ARG 7 16 24 12 50.0 0.1 .
1 41 VAL 5 22 30 15 50.0 0.1 .
1 42 GLU 5 8 11 3 27.3 -1.0 .
1 43 PRO 5 2 9 0 0.0 -2.3 >sigma
1 44 ASN 6 0 4 0 0.0 -2.3 >sigma
1 45 THR 4 1 8 1 12.5 -1.7 >sigma
1 46 TYR 6 19 24 11 45.8 -0.1 .
1 47 ILE 6 20 24 13 54.2 0.3 .
1 48 GLY 3 14 24 12 50.0 0.1 .
1 49 VAL 5 23 19 12 63.2 0.8 .
1 50 GLY 3 20 19 13 68.4 1.0 >sigma
1 51 ASN 6 28 18 16 88.9 2.0 >sigma
1 52 SER 4 20 23 11 47.8 0.0 .
1 53 THR 4 5 13 3 23.1 -1.2 >sigma
1 54 ASN 6 21 16 9 56.3 0.4 .
1 55 LYS 7 34 37 23 62.2 0.7 .
1 56 LYS 7 17 16 12 75.0 1.3 >sigma
1 57 ASP 4 17 16 9 56.3 0.4 .
1 58 ALA 3 48 35 27 77.1 1.4 >sigma
1 59 GLU 5 15 24 10 41.7 -0.3 .
1 60 LYS 7 16 19 12 63.2 0.8 .
1 61 ASN 6 27 27 17 63.0 0.8 .
1 62 ALA 3 36 28 19 67.9 1.0 .
1 63 CYS 4 30 23 16 69.6 1.1 >sigma
1 64 ARG 7 8 23 6 26.1 -1.0 >sigma
1 65 ASP 4 1 17 1 5.9 -2.0 >sigma
1 66 PHE 7 26 60 22 36.7 -0.5 .
1 67 VAL 5 36 52 23 44.2 -0.1 .
1 68 ASN 6 12 19 9 47.4 0.0 .
1 69 TYR 6 27 33 18 54.5 0.4 .
1 70 LEU 7 40 58 23 39.7 -0.4 .
1 71 VAL 5 30 39 17 43.6 -0.2 .
1 72 ARG 7 12 19 8 42.1 -0.2 .
1 73 VAL 5 31 27 19 70.4 1.1 >sigma
1 74 GLY 3 4 11 3 27.3 -1.0 .
1 75 LYS 7 19 29 14 48.3 0.1 .
1 76 LEU 7 35 45 19 42.2 -0.2 .
1 77 ASN 6 14 16 11 68.8 1.0 >sigma
1 78 THR 4 13 18 12 66.7 0.9 .
1 79 ASN 6 9 11 5 45.5 -0.1 .
1 80 ASP 4 10 16 9 56.3 0.4 .
1 81 VAL 5 25 30 17 56.7 0.5 .
1 82 PRO 5 10 14 9 64.3 0.8 .
1 83 ALA 3 7 6 5 83.3 1.7 >sigma
1 84 ASP 4 7 9 5 55.6 0.4 .
1 85 ALA 3 6 6 3 50.0 0.1 .
1 86 GLY 3 4 7 3 42.9 -0.2 .
1 87 ALA 3 3 6 2 33.3 -0.7 .
1 88 SER 4 2 6 1 16.7 -1.5 >sigma
1 89 GLY 3 0 6 0 0.0 -2.3 >sigma
1 90 GLY 3 0 7 0 0.0 -2.3 >sigma
1 91 GLY 3 1 6 1 16.7 -1.5 >sigma
1 92 PRO 5 2 6 2 33.3 -0.7 .
1 93 ARG 7 4 5 3 60.0 0.6 .
1 94 THR 4 5 6 3 50.0 0.1 .
1 95 GLY 3 4 7 2 28.6 -0.9 .
1 96 LEU 7 4 6 3 50.0 0.1 .
1 97 GLU 5 5 7 3 42.9 -0.2 .
1 98 GLY 3 4 8 3 37.5 -0.5 .
1 99 ALA 3 6 7 4 57.1 0.5 .
1 100 GLY 3 5 6 4 66.7 0.9 .
1 101 MET 6 5 8 4 50.0 0.1 .
1 102 ALA 3 4 8 3 37.5 -0.5 .
1 103 GLY 3 1 5 1 20.0 -1.3 >sigma
1 104 GLY 3 0 5 0 0.0 -2.3 >sigma
1 105 SER 4 0 7 0 0.0 -2.3 >sigma
1 106 GLY 3 2 8 1 12.5 -1.7 >sigma
1 107 GLN 7 5 8 3 37.5 -0.5 .
1 108 GLN 7 3 9 2 22.2 -1.2 >sigma
1 109 LYS 7 2 7 1 14.3 -1.6 >sigma
1 110 ARG 7 6 7 4 57.1 0.5 .
1 111 VAL 5 8 10 6 60.0 0.6 .
1 112 PHE 7 7 9 6 66.7 0.9 .
1 113 ASP 4 5 8 5 62.5 0.7 .
1 114 GLY 3 3 7 3 42.9 -0.2 .
1 115 GLN 7 1 6 1 16.7 -1.5 >sigma
1 116 SER 4 2 6 2 33.3 -0.7 .
1 117 GLY 3 3 6 2 33.3 -0.7 .
1 118 PRO 5 4 6 2 33.3 -0.7 .
1 119 GLN 7 7 6 5 83.3 1.7 >sigma
1 120 ASP 4 5 6 4 66.7 0.9 .
1 121 LEU 7 9 12 4 33.3 -0.7 .
1 122 GLY 3 7 11 4 36.4 -0.5 .
1 123 GLU 5 7 9 4 44.4 -0.1 .
1 124 ALA 3 10 14 7 50.0 0.1 .
1 125 TYR 6 13 13 8 61.5 0.7 .
1 126 ARG 7 10 7 6 85.7 1.9 >sigma
1 127 PRO 5 9 9 8 88.9 2.0 >sigma
1 128 LEU 7 7 7 7 100.0 2.5 >sigma
1 129 ASN 6 3 6 3 50.0 0.1 .
1 130 HIS 6 1 6 1 16.7 -1.5 >sigma
1 131 ASP 4 3 6 2 33.3 -0.7 .
1 132 GLY 3 3 6 2 33.3 -0.7 .
1 133 GLY 3 3 6 2 33.3 -0.7 .
1 134 ASP 4 5 6 3 50.0 0.1 .
1 135 GLY 3 4 9 3 33.3 -0.7 .
1 136 GLY 3 2 7 1 14.3 -1.6 >sigma
1 137 ASN 6 2 9 1 11.1 -1.7 >sigma
1 138 ARG 7 7 9 3 33.3 -0.7 .
1 139 TYR 6 10 7 3 42.9 -0.2 .
1 140 SER 4 8 6 2 33.3 -0.7 .
1 141 VAL 5 7 7 4 57.1 0.5 .
1 142 ILE 6 12 15 7 46.7 -0.0 .
1 143 ASP 4 10 9 6 66.7 0.9 .
1 144 ARG 7 5 12 4 33.3 -0.7 .
1 145 ILE 6 6 17 5 29.4 -0.9 .
1 146 GLN 7 6 13 6 46.2 -0.1 .
1 147 GLU 5 1 9 1 11.1 -1.7 >sigma
1 148 GLN 7 7 19 6 31.6 -0.8 .
1 149 ARG 7 5 11 5 45.5 -0.1 .
1 150 ASP 4 8 13 6 46.2 -0.1 .
1 151 MET 6 7 13 6 46.2 -0.1 .
1 152 ASN 6 9 12 5 41.7 -0.3 .
1 153 GLU 5 5 11 5 45.5 -0.1 .
1 154 ALA 3 6 12 5 41.7 -0.3 .
1 155 GLU 5 6 9 4 44.4 -0.1 .
1 156 ALA 3 12 7 5 71.4 1.2 >sigma
1 157 PHE 7 16 17 8 47.1 -0.0 .
1 158 ASP 4 14 11 8 72.7 1.2 >sigma
1 159 VAL 5 18 21 9 42.9 -0.2 .
1 160 ASN 6 15 17 8 47.1 -0.0 .
1 161 ALA 3 29 22 16 72.7 1.2 >sigma
1 162 ALA 3 14 24 10 41.7 -0.3 .
1 163 ILE 6 20 19 10 52.6 0.3 .
1 164 HIS 6 19 19 11 57.9 0.5 .
1 165 GLY 3 17 14 8 57.1 0.5 .
1 166 ASN 6 24 22 12 54.5 0.4 .
1 167 TRP 10 50 33 21 63.6 0.8 .
1 168 THR 4 12 11 4 36.4 -0.5 .
1 169 ILE 6 14 18 10 55.6 0.4 .
1 170 GLU 5 12 15 9 60.0 0.6 .
1 171 ASN 6 8 13 5 38.5 -0.4 .
1 172 ALA 3 18 23 9 39.1 -0.4 .
1 173 LYS 7 9 20 7 35.0 -0.6 .
1 174 GLU 5 13 21 9 42.9 -0.2 .
1 175 ARG 7 13 25 8 32.0 -0.7 .
1 176 LEU 7 5 30 4 13.3 -1.6 >sigma
1 177 ASN 6 14 22 8 36.4 -0.5 .
1 178 ILE 6 23 31 19 61.3 0.7 .
1 179 TYR 6 32 41 20 48.8 0.1 .
1 180 LYS 7 21 27 14 51.9 0.2 .
1 181 GLN 7 16 20 13 65.0 0.9 .
1 182 THR 4 14 22 12 54.5 0.4 .
1 183 ASN 6 12 22 10 45.5 -0.1 .
1 184 ASN 6 10 10 7 70.0 1.1 >sigma
1 185 ILE 6 30 44 22 50.0 0.1 .
1 186 ARG 7 8 7 4 57.1 0.5 .
1 187 ASP 4 11 6 6 100.0 2.5 >sigma
1 188 ASP 4 9 7 6 85.7 1.9 >sigma
1 189 TYR 6 37 36 27 75.0 1.3 >sigma
1 190 LYS 7 11 14 6 42.9 -0.2 .
1 191 TYR 6 24 33 14 42.4 -0.2 .
1 192 THR 4 10 17 5 29.4 -0.9 .
1 193 PRO 5 6 15 3 20.0 -1.3 >sigma
1 194 VAL 5 19 31 15 48.4 0.1 .
1 195 GLY 3 5 11 4 36.4 -0.5 .
1 196 PRO 5 10 12 5 41.7 -0.3 .
1 197 GLU 5 15 21 11 52.4 0.2 .
1 198 HIS 6 7 12 3 25.0 -1.1 >sigma
1 199 ALA 3 15 13 7 53.8 0.3 .
1 200 ARG 7 14 15 10 66.7 0.9 .
1 201 SER 4 17 15 11 73.3 1.3 >sigma
1 202 PHE 7 30 46 17 37.0 -0.5 .
1 203 LEU 7 28 37 16 43.2 -0.2 .
1 204 ALA 3 32 28 21 75.0 1.3 >sigma
1 205 GLU 5 21 22 11 50.0 0.1 .
1 206 LEU 7 50 38 26 68.4 1.0 >sigma
1 207 SER 4 24 18 13 72.2 1.2 >sigma
1 208 ILE 6 35 49 19 38.8 -0.4 .
1 209 TYR 6 10 21 6 28.6 -0.9 .
1 210 VAL 5 4 13 1 7.7 -1.9 >sigma
1 211 PRO 5 12 35 6 17.1 -1.5 >sigma
1 212 ALA 3 8 12 6 50.0 0.1 .
1 213 LEU 7 18 27 9 33.3 -0.7 .
1 214 ASN 6 14 10 5 50.0 0.1 .
1 215 ARG 7 19 25 9 36.0 -0.5 .
1 216 THR 4 6 8 2 25.0 -1.1 >sigma
1 217 VAL 5 19 40 6 15.0 -1.6 >sigma
1 218 THR 4 15 18 10 55.6 0.4 .
1 219 ALA 3 19 25 13 52.0 0.2 .
1 220 ARG 7 20 19 12 63.2 0.8 .
1 221 GLU 5 20 20 11 55.0 0.4 .
1 222 SER 4 19 14 13 92.9 2.2 >sigma
1 223 GLY 3 7 18 5 27.8 -0.9 .
1 224 SER 4 6 9 4 44.4 -0.1 .
1 225 ASN 6 5 19 5 26.3 -1.0 >sigma
1 226 LYS 7 14 27 10 37.0 -0.5 .
1 227 LYS 7 6 11 4 36.4 -0.5 .
1 228 SER 4 9 25 6 24.0 -1.1 >sigma
1 229 ALA 3 24 26 15 57.7 0.5 .
1 230 SER 4 12 18 6 33.3 -0.7 .
1 231 LYS 7 6 16 3 18.8 -1.4 >sigma
1 232 SER 4 8 18 3 16.7 -1.5 >sigma
1 233 CYS 4 21 29 12 41.4 -0.3 .
1 234 ALA 3 17 27 11 40.7 -0.3 .
1 235 LEU 7 16 23 10 43.5 -0.2 .
1 236 SER 4 9 14 4 28.6 -0.9 .
1 237 LEU 7 33 49 19 38.8 -0.4 .
1 238 VAL 5 28 31 19 61.3 0.7 .
1 239 ARG 7 8 17 7 41.2 -0.3 .
1 240 GLN 7 19 25 11 44.0 -0.2 .
1 241 LEU 7 44 56 33 58.9 0.6 .
1 242 PHE 7 5 17 4 23.5 -1.1 >sigma
1 243 HIS 6 6 14 5 35.7 -0.6 .
1 244 LEU 7 16 54 11 20.4 -1.3 >sigma
1 245 ASN 6 12 8 4 50.0 0.1 .
1 246 VAL 5 23 33 14 42.4 -0.2 .
1 247 ILE 6 26 26 14 53.8 0.3 .
1 248 GLU 5 4 10 2 20.0 -1.3 >sigma
1 249 PRO 5 3 11 1 9.1 -1.8 >sigma
1 250 PHE 7 33 23 16 69.6 1.1 >sigma
1 251 SER 4 8 6 5 83.3 1.7 >sigma
1 252 GLY 3 7 5 3 60.0 0.6 .
1 253 THR 4 5 5 3 60.0 0.6 .
1 254 LEU 7 7 9 4 44.4 -0.1 .
1 255 LYS 7 5 8 3 37.5 -0.5 .
1 256 LYS 7 4 11 3 27.3 -1.0 .
1 257 LYS 7 6 7 5 71.4 1.2 >sigma
1 258 LYS 7 7 7 5 71.4 1.2 >sigma
1 259 ASP 4 4 3 2 66.7 0.9 .
stop_
save_
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