NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412061 |
2ayx   |
6810 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2ayx
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 254
_NOE_completeness_stats.Total_atom_count 3930
_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 46.5
_NOE_completeness_stats.Constraint_unexpanded_count 3744
_NOE_completeness_stats.Constraint_count 3744
_NOE_completeness_stats.Constraint_exp_unfiltered_count 3117
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 204
_NOE_completeness_stats.Constraint_intraresidue_count 424
_NOE_completeness_stats.Constraint_surplus_count 139
_NOE_completeness_stats.Constraint_observed_count 2977
_NOE_completeness_stats.Constraint_expected_count 3010
_NOE_completeness_stats.Constraint_matched_count 1400
_NOE_completeness_stats.Constraint_unmatched_count 1577
_NOE_completeness_stats.Constraint_exp_nonobs_count 1610
_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 967 1077 503 46.7 -0.2 .
medium-range 830 624 330 52.9 1.0 .
long-range 1180 1309 567 43.3 -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 15 8 0 0 1 1 3 1 2 0 . 0 53.3 53.3
shell 2.00 2.50 241 136 0 0 20 31 22 17 23 11 . 12 56.4 56.3
shell 2.50 3.00 592 339 0 0 9 60 93 63 46 34 . 34 57.3 57.0
shell 3.00 3.50 768 376 0 0 1 6 71 85 82 65 . 66 49.0 53.2
shell 3.50 4.00 1394 541 0 0 0 1 35 97 167 118 . 123 38.8 46.5
shell 4.00 4.50 2210 669 0 0 0 0 6 87 178 204 . 194 30.3 39.6
shell 4.50 5.00 2972 458 0 0 0 0 0 23 72 153 . 210 15.4 30.8
shell 5.00 5.50 3891 298 0 0 0 0 0 1 14 74 . 209 7.7 23.4
shell 5.50 6.00 4454 119 0 0 0 0 0 0 1 12 . 106 2.7 17.8
shell 6.00 6.50 4956 28 0 0 0 0 0 0 0 1 . 27 0.6 13.8
shell 6.50 7.00 5397 5 0 0 0 0 0 0 0 0 . 5 0.1 11.1
shell 7.00 7.50 5693 0 0 0 0 0 0 0 0 0 . 0 0.0 9.1
shell 7.50 8.00 6156 0 0 0 0 0 0 0 0 0 . 0 0.0 7.7
shell 8.00 8.50 6781 0 0 0 0 0 0 0 0 0 . 0 0.0 6.5
shell 8.50 9.00 7092 0 0 0 0 0 0 0 0 0 . 0 0.0 5.7
sums . . 52612 2977 0 0 31 99 230 374 585 672 . 986 . .
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 4 0 0.0 -1.9 >sigma
1 2 GLY 3 0 7 0 0.0 -1.9 >sigma
1 3 GLY 3 0 6 0 0.0 -1.9 >sigma
1 4 SER 4 0 7 0 0.0 -1.9 >sigma
1 5 GLY 3 0 8 0 0.0 -1.9 >sigma
1 6 VAL 5 0 9 0 0.0 -1.9 >sigma
1 7 GLU 5 0 10 0 0.0 -1.9 >sigma
1 8 GLY 3 0 8 0 0.0 -1.9 >sigma
1 9 LEU 7 17 21 8 38.1 -0.2 .
1 10 SER 4 10 13 6 46.2 0.2 .
1 11 GLY 3 10 9 5 55.6 0.6 .
1 12 LYS 7 20 27 9 33.3 -0.4 .
1 13 ARG 7 28 24 17 70.8 1.3 >sigma
1 14 CYS 4 34 25 16 64.0 1.0 .
1 15 TRP 10 72 57 36 63.2 0.9 .
1 16 LEU 7 58 54 30 55.6 0.6 .
1 17 ALA 3 37 28 22 78.6 1.6 >sigma
1 18 VAL 5 60 55 34 61.8 0.9 .
1 19 ARG 7 17 8 4 50.0 0.3 .
1 20 ASN 6 30 20 14 70.0 1.2 >sigma
1 21 ALA 3 15 10 4 40.0 -0.1 .
1 22 SER 4 9 12 5 41.7 -0.0 .
1 23 LEU 7 59 55 33 60.0 0.8 .
1 24 CYS 4 38 32 21 65.6 1.0 >sigma
1 25 GLN 7 24 18 11 61.1 0.8 .
1 26 PHE 7 31 25 14 56.0 0.6 .
1 27 LEU 7 50 56 26 46.4 0.2 .
1 28 GLU 5 29 36 19 52.8 0.5 .
1 29 THR 4 28 18 13 72.2 1.3 >sigma
1 30 SER 4 22 21 13 61.9 0.9 .
1 31 LEU 7 42 49 21 42.9 0.0 .
1 32 GLN 7 39 20 15 75.0 1.5 >sigma
1 33 ARG 7 26 16 11 68.8 1.2 >sigma
1 34 SER 4 19 18 9 50.0 0.3 .
1 35 GLY 3 12 13 6 46.2 0.2 .
1 36 ILE 6 60 54 25 46.3 0.2 .
1 37 VAL 5 41 17 16 94.1 2.3 >sigma
1 38 VAL 5 51 41 19 46.3 0.2 .
1 39 THR 4 42 20 17 85.0 1.9 >sigma
1 40 THR 4 29 15 12 80.0 1.7 >sigma
1 41 TYR 6 57 47 30 63.8 1.0 .
1 42 GLU 5 21 12 5 41.7 -0.0 .
1 43 GLY 3 4 11 1 9.1 -1.5 >sigma
1 44 GLN 7 27 23 13 56.5 0.6 .
1 45 GLU 5 13 9 8 88.9 2.1 >sigma
1 46 PRO 5 12 21 9 42.9 0.0 .
1 47 THR 4 29 20 13 65.0 1.0 >sigma
1 48 PRO 5 15 18 8 44.4 0.1 .
1 49 GLU 5 19 23 10 43.5 0.1 .
1 50 ASP 4 42 28 21 75.0 1.5 >sigma
1 51 VAL 5 68 45 35 77.8 1.6 >sigma
1 52 LEU 7 75 68 37 54.4 0.5 .
1 53 ILE 6 56 56 24 42.9 0.0 .
1 54 THR 4 50 32 25 78.1 1.6 >sigma
1 55 ASP 4 27 26 17 65.4 1.0 >sigma
1 56 GLU 5 14 18 10 55.6 0.6 .
1 57 VAL 5 19 31 10 32.3 -0.4 .
1 58 VAL 5 23 30 14 46.7 0.2 .
1 59 SER 4 1 9 0 0.0 -1.9 >sigma
1 60 LYS 7 18 22 10 45.5 0.1 .
1 61 LYS 7 12 10 6 60.0 0.8 .
1 62 TRP 10 74 68 42 61.8 0.9 .
1 63 GLN 7 6 10 2 20.0 -1.0 .
1 64 GLY 3 9 15 5 33.3 -0.4 .
1 65 ARG 7 42 34 20 58.8 0.7 .
1 66 ALA 3 54 34 28 82.4 1.8 >sigma
1 67 VAL 5 67 44 27 61.4 0.9 .
1 68 VAL 5 63 48 29 60.4 0.8 .
1 69 THR 4 41 31 16 51.6 0.4 .
1 70 PHE 7 54 62 31 50.0 0.3 .
1 71 CYS 4 13 17 5 29.4 -0.6 .
1 72 ARG 7 0 12 0 0.0 -1.9 >sigma
1 73 ARG 7 0 9 0 0.0 -1.9 >sigma
1 74 HIS 6 13 12 6 50.0 0.3 .
1 75 ILE 6 19 14 8 57.1 0.7 .
1 76 GLY 3 9 13 5 38.5 -0.2 .
1 77 ILE 6 14 37 7 18.9 -1.0 >sigma
1 78 PRO 5 7 29 4 13.8 -1.3 >sigma
1 79 LEU 7 32 42 19 45.2 0.1 .
1 80 GLU 5 29 23 11 47.8 0.3 .
1 81 LYS 7 26 30 9 30.0 -0.5 .
1 82 ALA 3 25 18 13 72.2 1.3 >sigma
1 83 PRO 5 6 4 2 50.0 0.3 .
1 84 GLY 3 18 11 7 63.6 1.0 .
1 85 GLU 5 39 30 17 56.7 0.6 .
1 86 TRP 10 70 44 28 63.6 1.0 .
1 87 VAL 5 50 33 23 69.7 1.2 >sigma
1 88 HIS 6 23 15 8 53.3 0.5 .
1 89 SER 4 16 11 5 45.5 0.1 .
1 90 VAL 5 26 29 8 27.6 -0.6 .
1 91 ALA 3 11 17 6 35.3 -0.3 .
1 92 ALA 3 21 41 10 24.4 -0.8 .
1 93 PRO 5 12 27 8 29.6 -0.6 .
1 94 HIS 6 9 17 5 29.4 -0.6 .
1 95 GLU 5 19 23 11 47.8 0.3 .
1 96 LEU 7 38 52 18 34.6 -0.3 .
1 97 PRO 5 26 36 10 27.8 -0.6 .
1 98 ALA 3 19 16 7 43.8 0.1 .
1 99 LEU 7 40 41 16 39.0 -0.1 .
1 100 LEU 7 58 55 27 49.1 0.3 .
1 101 ALA 3 23 17 10 58.8 0.7 .
1 102 ARG 7 20 22 9 40.9 -0.1 .
1 103 ILE 6 61 40 27 67.5 1.1 >sigma
1 104 TYR 6 52 47 27 57.4 0.7 .
1 105 LEU 7 21 12 7 58.3 0.7 .
1 106 ILE 6 29 28 12 42.9 0.0 .
1 107 GLU 5 15 11 7 63.6 1.0 .
1 108 MET 6 13 13 8 61.5 0.9 .
1 109 GLU 5 8 10 6 60.0 0.8 .
1 110 SER 4 7 8 3 37.5 -0.2 .
1 111 ASP 4 2 6 0 0.0 -1.9 >sigma
1 112 ASP 4 2 6 0 0.0 -1.9 >sigma
1 113 PRO 5 1 6 0 0.0 -1.9 >sigma
1 114 ALA 3 2 6 1 16.7 -1.1 >sigma
1 115 ASN 6 4 5 2 40.0 -0.1 .
1 116 ALA 3 3 5 1 20.0 -1.0 .
1 117 LEU 7 0 9 0 0.0 -1.9 >sigma
1 118 PRO 5 0 9 0 0.0 -1.9 >sigma
1 119 SER 4 0 6 0 0.0 -1.9 >sigma
1 120 THR 4 0 7 0 0.0 -1.9 >sigma
1 121 ASP 4 0 7 0 0.0 -1.9 >sigma
1 122 LYS 7 0 8 0 0.0 -1.9 >sigma
1 123 ALA 3 0 7 0 0.0 -1.9 >sigma
1 124 VAL 5 4 5 1 20.0 -1.0 .
1 125 SER 4 7 7 2 28.6 -0.6 .
1 126 ASP 4 5 6 1 16.7 -1.1 >sigma
1 127 ASN 6 6 6 3 50.0 0.3 .
1 128 ASP 4 9 5 3 60.0 0.8 .
1 129 ASP 4 7 5 3 60.0 0.8 .
1 130 MET 6 22 28 12 42.9 0.0 .
1 131 MET 6 27 22 9 40.9 -0.1 .
1 132 ILE 6 57 63 29 46.0 0.2 .
1 133 LEU 7 51 64 26 40.6 -0.1 .
1 134 VAL 5 48 40 21 52.5 0.5 .
1 135 VAL 5 33 40 20 50.0 0.3 .
1 136 ASP 4 30 31 14 45.2 0.1 .
1 137 ASP 4 7 16 4 25.0 -0.8 .
1 138 HIS 6 8 19 5 26.3 -0.7 .
1 139 PRO 5 4 15 2 13.3 -1.3 >sigma
1 140 ILE 6 20 18 7 38.9 -0.1 .
1 141 ASN 6 23 31 11 35.5 -0.3 .
1 142 ARG 7 32 45 18 40.0 -0.1 .
1 143 ARG 7 29 21 12 57.1 0.7 .
1 144 LEU 7 30 24 14 58.3 0.7 .
1 145 LEU 7 43 41 11 26.8 -0.7 .
1 146 ALA 3 39 25 17 68.0 1.1 >sigma
1 147 ASP 4 23 14 10 71.4 1.3 >sigma
1 148 GLN 7 21 25 9 36.0 -0.3 .
1 149 LEU 7 50 50 22 44.0 0.1 .
1 150 GLY 3 20 13 8 61.5 0.9 .
1 151 SER 4 5 8 2 25.0 -0.8 .
1 152 LEU 7 29 28 13 46.4 0.2 .
1 153 GLY 3 10 8 5 62.5 0.9 .
1 154 TYR 6 41 30 23 76.7 1.5 >sigma
1 155 GLN 7 25 15 11 73.3 1.4 >sigma
1 156 CYS 4 30 18 15 83.3 1.8 >sigma
1 157 LYS 7 38 24 15 62.5 0.9 .
1 158 THR 4 35 23 16 69.6 1.2 >sigma
1 159 ALA 3 30 24 17 70.8 1.3 >sigma
1 160 ASN 6 7 11 3 27.3 -0.7 .
1 161 ASP 4 13 12 4 33.3 -0.4 .
1 162 GLY 3 7 18 3 16.7 -1.1 >sigma
1 163 VAL 5 26 19 9 47.4 0.2 .
1 164 ASP 4 21 19 10 52.6 0.5 .
1 165 ALA 3 32 30 17 56.7 0.6 .
1 166 LEU 7 31 47 17 36.2 -0.3 .
1 167 ASN 6 28 16 10 62.5 0.9 .
1 168 VAL 5 43 38 21 55.3 0.6 .
1 169 LEU 7 47 44 23 52.3 0.5 .
1 170 SER 4 19 11 8 72.7 1.4 >sigma
1 171 LYS 7 13 15 8 53.3 0.5 .
1 172 ASN 6 19 12 6 50.0 0.3 .
1 173 HIS 6 2 11 2 18.2 -1.1 >sigma
1 174 ILE 6 54 56 25 44.6 0.1 .
1 175 ASP 4 26 24 13 54.2 0.5 .
1 176 ILE 6 70 59 35 59.3 0.8 .
1 177 VAL 5 44 50 21 42.0 -0.0 .
1 178 LEU 7 49 48 21 43.8 0.1 .
1 179 SER 4 24 20 12 60.0 0.8 .
1 180 ASP 4 12 27 6 22.2 -0.9 .
1 181 VAL 5 18 24 5 20.8 -0.9 .
1 182 ASN 6 14 17 5 29.4 -0.6 .
1 183 MET 6 7 13 4 30.8 -0.5 .
1 184 PRO 5 0 10 0 0.0 -1.9 >sigma
1 185 ASN 6 0 7 0 0.0 -1.9 >sigma
1 186 MET 6 0 9 0 0.0 -1.9 >sigma
1 187 ASP 4 0 10 0 0.0 -1.9 >sigma
1 188 GLY 3 2 9 1 11.1 -1.4 >sigma
1 189 TYR 6 9 14 5 35.7 -0.3 .
1 190 ARG 7 15 25 8 32.0 -0.4 .
1 191 LEU 7 22 38 9 23.7 -0.8 .
1 192 THR 4 28 32 14 43.8 0.1 .
1 193 GLN 7 11 17 8 47.1 0.2 .
1 194 ARG 7 19 26 10 38.5 -0.2 .
1 195 ILE 6 29 50 13 26.0 -0.7 .
1 196 ARG 7 14 26 8 30.8 -0.5 .
1 197 GLN 7 18 15 9 60.0 0.8 .
1 198 LEU 7 17 19 9 47.4 0.2 .
1 199 GLY 3 11 8 4 50.0 0.3 .
1 200 LEU 7 31 29 8 27.6 -0.6 .
1 201 THR 4 7 9 1 11.1 -1.4 >sigma
1 202 LEU 7 29 38 10 26.3 -0.7 .
1 203 PRO 5 4 30 2 6.7 -1.6 >sigma
1 204 VAL 5 19 38 5 13.2 -1.3 >sigma
1 205 ILE 6 53 53 30 56.6 0.6 .
1 206 GLY 3 15 15 4 26.7 -0.7 .
1 207 VAL 5 49 44 21 47.7 0.2 .
1 208 THR 4 23 22 9 40.9 -0.1 .
1 209 ALA 3 12 20 6 30.0 -0.5 .
1 210 ASN 6 4 10 1 10.0 -1.4 >sigma
1 211 ALA 3 5 13 4 30.8 -0.5 .
1 212 LEU 7 2 9 1 11.1 -1.4 >sigma
1 213 ALA 3 0 18 0 0.0 -1.9 >sigma
1 214 GLU 5 7 18 7 38.9 -0.1 .
1 215 GLU 5 9 17 6 35.3 -0.3 .
1 216 LYS 7 16 21 8 38.1 -0.2 .
1 217 GLN 7 21 17 13 76.5 1.5 >sigma
1 218 ARG 7 20 19 11 57.9 0.7 .
1 219 CYS 4 9 14 7 50.0 0.3 .
1 220 LEU 7 16 16 7 43.8 0.1 .
1 221 GLU 5 12 23 9 39.1 -0.1 .
1 222 SER 4 10 11 5 45.5 0.1 .
1 223 GLY 3 2 16 2 12.5 -1.3 >sigma
1 224 MET 6 8 32 6 18.8 -1.0 >sigma
1 225 ASP 4 14 18 7 38.9 -0.1 .
1 226 SER 4 15 20 8 40.0 -0.1 .
1 227 CYS 4 11 13 4 30.8 -0.5 .
1 228 LEU 7 44 41 21 51.2 0.4 .
1 229 SER 4 16 17 6 35.3 -0.3 .
1 230 LYS 7 14 52 10 19.2 -1.0 >sigma
1 231 PRO 5 8 15 2 13.3 -1.3 >sigma
1 232 VAL 5 35 31 18 58.1 0.7 .
1 233 THR 4 25 15 12 80.0 1.7 >sigma
1 234 LEU 7 38 27 18 66.7 1.1 >sigma
1 235 ASP 4 23 19 13 68.4 1.2 >sigma
1 236 VAL 5 40 34 21 61.8 0.9 .
1 237 ILE 6 54 47 23 48.9 0.3 .
1 238 LYS 7 37 35 21 60.0 0.8 .
1 239 GLN 7 28 19 13 68.4 1.2 >sigma
1 240 THR 4 36 29 17 58.6 0.7 .
1 241 LEU 7 57 54 24 44.4 0.1 .
1 242 THR 4 30 17 9 52.9 0.5 .
1 243 LEU 7 33 21 13 61.9 0.9 .
1 244 TYR 6 60 50 29 58.0 0.7 .
1 245 ALA 3 29 23 13 56.5 0.6 .
1 246 GLU 5 24 21 10 47.6 0.2 .
1 247 ARG 7 41 28 19 67.9 1.1 >sigma
1 248 VAL 5 50 34 25 73.5 1.4 >sigma
1 249 ARG 7 19 21 9 42.9 0.0 .
1 250 LYS 7 27 14 8 57.1 0.7 .
1 251 SER 4 11 12 5 41.7 -0.0 .
1 252 ARG 7 7 11 1 9.1 -1.5 >sigma
1 253 ASP 4 4 10 1 10.0 -1.4 >sigma
1 254 SER 4 0 3 0 0.0 -1.9 >sigma
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 10:56:55 AM GMT (wattos1)