NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
619405 | 5ue5 | 25485 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_5ue5 save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 16 _NOE_completeness_stats.Residue_count 259 _NOE_completeness_stats.Total_atom_count 4032 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 1353 _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 29.5 _NOE_completeness_stats.Constraint_unexpanded_count 2158 _NOE_completeness_stats.Constraint_count 2158 _NOE_completeness_stats.Constraint_exp_unfiltered_count 3255 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 41 _NOE_completeness_stats.Constraint_intraresidue_count 491 _NOE_completeness_stats.Constraint_surplus_count 167 _NOE_completeness_stats.Constraint_observed_count 1459 _NOE_completeness_stats.Constraint_expected_count 3115 _NOE_completeness_stats.Constraint_matched_count 918 _NOE_completeness_stats.Constraint_unmatched_count 541 _NOE_completeness_stats.Constraint_exp_nonobs_count 2197 _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 538 1057 368 34.8 1.0 . medium-range 318 657 162 24.7 -0.7 . long-range 603 1401 388 27.7 -0.2 . 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 2 1 0 0 0 0 0 1 0 0 . 0 50.0 50.0 shell 2.00 2.50 283 150 2 8 30 47 35 20 4 2 . 0 53.0 53.0 shell 2.50 3.00 654 287 1 37 61 66 76 34 10 1 . 1 43.9 46.6 shell 3.00 3.50 792 226 0 5 22 61 76 49 6 6 . 0 28.5 38.4 shell 3.50 4.00 1384 254 0 1 3 39 103 77 25 5 . 1 18.4 29.5 shell 4.00 4.50 1991 268 0 0 3 23 133 83 21 5 . 0 13.5 23.2 shell 4.50 5.00 2928 174 0 0 0 5 44 81 33 10 . 1 5.9 16.9 shell 5.00 5.50 3690 78 0 0 0 0 9 39 22 6 . 2 2.1 12.3 shell 5.50 6.00 4365 16 0 0 0 0 1 2 8 4 . 1 0.4 9.0 shell 6.00 6.50 4686 5 0 0 0 0 0 0 1 2 . 2 0.1 7.0 shell 6.50 7.00 5355 0 0 0 0 0 0 0 0 0 . 0 0.0 5.6 shell 7.00 7.50 6095 0 0 0 0 0 0 0 0 0 . 0 0.0 4.5 shell 7.50 8.00 6524 0 0 0 0 0 0 0 0 0 . 0 0.0 3.8 shell 8.00 8.50 7249 0 0 0 0 0 0 0 0 0 . 0 0.0 3.2 shell 8.50 9.00 7932 0 0 0 0 0 0 0 0 0 . 0 0.0 2.7 sums . . 53930 1459 3 51 119 241 477 386 130 41 . 8 . . 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 PRO 5 0 4 0 0.0 -1.6 >sigma 1 2 GLN 7 1 8 0 0.0 -1.6 >sigma 1 3 GLU 5 1 9 0 0.0 -1.6 >sigma 1 4 ALA 3 4 22 2 9.1 -1.1 >sigma 1 5 GLY 3 0 8 0 0.0 -1.6 >sigma 1 6 GLY 3 0 7 0 0.0 -1.6 >sigma 1 7 MET 6 0 24 0 0.0 -1.6 >sigma 1 8 SER 4 0 14 0 0.0 -1.6 >sigma 1 9 GLU 5 2 12 2 16.7 -0.6 . 1 10 LEU 7 5 17 4 23.5 -0.2 . 1 11 GLN 7 5 24 4 16.7 -0.6 . 1 12 TRP 10 8 29 6 20.7 -0.3 . 1 13 GLU 5 7 18 3 16.7 -0.6 . 1 14 GLN 7 7 19 4 21.1 -0.3 . 1 15 ALA 3 17 27 12 44.4 1.1 >sigma 1 16 GLN 7 9 23 5 21.7 -0.3 . 1 17 ASP 4 5 20 4 20.0 -0.4 . 1 18 TYR 6 13 37 7 18.9 -0.4 . 1 19 LEU 7 19 44 13 29.5 0.2 . 1 20 LYS 7 12 36 9 25.0 -0.1 . 1 21 ARG 7 11 25 6 24.0 -0.1 . 1 22 PHE 7 10 39 4 10.3 -1.0 . 1 23 TYR 6 8 31 3 9.7 -1.0 >sigma 1 24 LEU 7 12 23 6 26.1 -0.0 . 1 25 TYR 6 7 19 3 15.8 -0.6 . 1 26 ASP 4 5 10 3 30.0 0.2 . 1 27 SER 4 2 12 1 8.3 -1.1 >sigma 1 28 GLU 5 2 10 2 20.0 -0.4 . 1 29 THR 4 5 20 4 20.0 -0.4 . 1 30 LYS 7 1 7 1 14.3 -0.7 . 1 31 ASN 6 1 11 1 9.1 -1.1 >sigma 1 32 ALA 3 1 9 1 11.1 -0.9 . 1 33 ASN 6 3 11 3 27.3 0.1 . 1 34 SER 4 11 21 9 42.9 1.0 >sigma 1 35 LEU 7 8 38 6 15.8 -0.6 . 1 36 GLU 5 7 18 6 33.3 0.4 . 1 37 ALA 3 11 14 8 57.1 1.9 >sigma 1 38 LYS 7 12 30 9 30.0 0.2 . 1 39 LEU 7 14 30 8 26.7 0.0 . 1 40 LYS 7 17 21 7 33.3 0.4 . 1 41 GLU 5 14 18 10 55.6 1.8 >sigma 1 42 MET 6 29 46 19 41.3 0.9 . 1 43 GLN 7 19 48 12 25.0 -0.1 . 1 44 LYS 7 9 19 5 26.3 0.0 . 1 45 PHE 7 14 41 10 24.4 -0.1 . 1 46 PHE 7 30 63 19 30.2 0.2 . 1 47 GLY 3 9 18 5 27.8 0.1 . 1 48 LEU 7 31 48 13 27.1 0.1 . 1 49 PRO 5 3 13 2 15.4 -0.7 . 1 50 ILE 6 9 29 5 17.2 -0.6 . 1 51 THR 4 4 21 2 9.5 -1.0 >sigma 1 52 GLY 3 7 12 3 25.0 -0.1 . 1 53 MET 6 4 15 2 13.3 -0.8 . 1 54 LEU 7 15 40 8 20.0 -0.4 . 1 55 ASN 6 7 23 5 21.7 -0.3 . 1 56 SER 4 8 11 3 27.3 0.1 . 1 57 ARG 7 13 29 11 37.9 0.7 . 1 58 VAL 5 38 58 24 41.4 0.9 . 1 59 ILE 6 23 42 15 35.7 0.6 . 1 60 GLU 5 8 25 5 20.0 -0.4 . 1 61 ILE 6 30 48 19 39.6 0.8 . 1 62 MET 6 24 46 16 34.8 0.5 . 1 63 GLN 7 11 20 7 35.0 0.5 . 1 64 LYS 7 7 26 5 19.2 -0.4 . 1 65 PRO 5 3 24 2 8.3 -1.1 >sigma 1 66 ARG 7 7 54 5 9.3 -1.0 >sigma 1 67 CYS 4 8 28 7 25.0 -0.1 . 1 68 GLY 3 16 23 9 39.1 0.8 . 1 69 VAL 5 17 29 10 34.5 0.5 . 1 70 PRO 5 10 24 7 29.2 0.2 . 1 71 ASP 4 4 15 4 26.7 0.0 . 1 72 VAL 5 18 28 13 46.4 1.3 >sigma 1 73 ALA 3 11 11 8 72.7 2.9 >sigma 1 74 GLU 5 5 9 3 33.3 0.4 . 1 75 TYR 6 1 9 0 0.0 -1.6 >sigma 1 76 SER 4 1 6 0 0.0 -1.6 >sigma 1 77 LEU 7 1 4 1 25.0 -0.1 . 1 78 PHE 7 4 7 3 42.9 1.0 >sigma 1 79 PRO 5 5 19 4 21.1 -0.3 . 1 80 ASN 6 0 7 0 0.0 -1.6 >sigma 1 81 SER 4 1 11 1 9.1 -1.1 >sigma 1 82 PRO 5 3 20 3 15.0 -0.7 . 1 83 LYS 7 18 56 12 21.4 -0.3 . 1 84 TRP 10 26 41 19 46.3 1.3 >sigma 1 85 THR 4 3 12 3 25.0 -0.1 . 1 86 SER 4 10 16 10 62.5 2.3 >sigma 1 87 LYS 7 1 23 1 4.3 -1.4 >sigma 1 88 VAL 5 26 47 17 36.2 0.6 . 1 89 VAL 5 37 40 26 65.0 2.4 >sigma 1 90 THR 4 26 28 19 67.9 2.6 >sigma 1 91 TYR 6 38 50 27 54.0 1.7 >sigma 1 92 ARG 7 29 37 15 40.5 0.9 . 1 93 ILE 6 23 47 13 27.7 0.1 . 1 94 VAL 5 19 31 14 45.2 1.2 >sigma 1 95 SER 4 10 23 9 39.1 0.8 . 1 96 TYR 6 8 30 6 20.0 -0.4 . 1 97 THR 4 18 28 13 46.4 1.3 >sigma 1 98 ARG 7 7 9 4 44.4 1.1 >sigma 1 99 ASP 4 9 21 6 28.6 0.1 . 1 100 LEU 7 25 48 18 37.5 0.7 . 1 101 PRO 5 4 19 4 21.1 -0.3 . 1 102 HIS 6 15 30 9 30.0 0.2 . 1 103 ILE 6 15 20 9 45.0 1.2 >sigma 1 104 THR 4 35 42 25 59.5 2.1 >sigma 1 105 VAL 5 35 55 23 41.8 1.0 . 1 106 ASP 4 15 24 11 45.8 1.2 >sigma 1 107 ARG 7 15 31 10 32.3 0.4 . 1 108 LEU 7 21 64 14 21.9 -0.3 . 1 109 VAL 5 30 53 21 39.6 0.8 . 1 110 SER 4 11 20 5 25.0 -0.1 . 1 111 LYS 7 20 33 12 36.4 0.6 . 1 112 ALA 3 22 30 17 56.7 1.9 >sigma 1 113 LEU 7 34 60 25 41.7 1.0 . 1 114 ASN 6 10 22 6 27.3 0.1 . 1 115 MET 6 19 38 11 28.9 0.2 . 1 116 TRP 10 45 66 31 47.0 1.3 >sigma 1 117 GLY 3 14 22 9 40.9 0.9 . 1 118 LYS 7 5 16 2 12.5 -0.8 . 1 119 GLU 5 11 32 5 15.6 -0.7 . 1 120 ILE 6 45 49 27 55.1 1.8 >sigma 1 121 PRO 5 9 15 6 40.0 0.9 . 1 122 LEU 7 31 46 17 37.0 0.7 . 1 123 HIS 6 16 22 8 36.4 0.6 . 1 124 PHE 7 28 50 23 46.0 1.2 >sigma 1 125 ARG 7 21 31 16 51.6 1.6 >sigma 1 126 LYS 7 16 21 9 42.9 1.0 >sigma 1 127 VAL 5 29 38 18 47.4 1.3 >sigma 1 128 VAL 5 22 25 12 48.0 1.4 >sigma 1 129 TRP 10 14 16 5 31.3 0.3 . 1 130 GLY 3 2 5 0 0.0 -1.6 >sigma 1 131 THR 4 8 9 6 66.7 2.5 >sigma 1 132 ALA 3 17 27 14 51.9 1.6 >sigma 1 133 ASP 4 10 16 8 50.0 1.5 >sigma 1 134 ILE 6 30 51 19 37.3 0.7 . 1 135 MET 6 22 32 15 46.9 1.3 >sigma 1 136 ILE 6 36 65 25 38.5 0.8 . 1 137 GLY 3 14 21 9 42.9 1.0 >sigma 1 138 PHE 7 15 48 8 16.7 -0.6 . 1 139 ALA 3 17 20 9 45.0 1.2 >sigma 1 140 ARG 7 7 26 4 15.4 -0.7 . 1 141 GLY 3 5 18 4 22.2 -0.2 . 1 142 ALA 3 2 14 1 7.1 -1.2 >sigma 1 143 HIS 6 8 16 4 25.0 -0.1 . 1 144 GLY 3 0 7 0 0.0 -1.6 >sigma 1 145 ASP 4 2 9 0 0.0 -1.6 >sigma 1 146 SER 4 1 7 0 0.0 -1.6 >sigma 1 147 TYR 6 4 14 2 14.3 -0.7 . 1 148 PRO 5 3 12 3 25.0 -0.1 . 1 149 PHE 7 8 33 7 21.2 -0.3 . 1 150 ASP 4 6 14 4 28.6 0.1 . 1 151 GLY 3 2 11 2 18.2 -0.5 . 1 152 PRO 5 1 10 1 10.0 -1.0 >sigma 1 153 GLY 3 3 6 2 33.3 0.4 . 1 154 ASN 6 4 13 2 15.4 -0.7 . 1 155 THR 4 19 21 8 38.1 0.7 . 1 156 LEU 7 36 59 21 35.6 0.6 . 1 157 ALA 3 19 30 15 50.0 1.5 >sigma 1 158 HIS 6 13 26 3 11.5 -0.9 . 1 159 ALA 3 15 23 9 39.1 0.8 . 1 160 PHE 7 17 32 8 25.0 -0.1 . 1 161 ALA 3 12 12 6 50.0 1.5 >sigma 1 162 PRO 5 6 26 4 15.4 -0.7 . 1 163 GLY 3 8 15 4 26.7 0.0 . 1 164 THR 4 0 9 0 0.0 -1.6 >sigma 1 165 GLY 3 2 6 0 0.0 -1.6 >sigma 1 166 LEU 7 5 13 3 23.1 -0.2 . 1 167 GLY 3 8 16 4 25.0 -0.1 . 1 168 GLY 3 9 21 7 33.3 0.4 . 1 169 ASP 4 7 19 4 21.1 -0.3 . 1 170 ALA 3 11 26 5 19.2 -0.4 . 1 171 HIS 6 10 23 7 30.4 0.3 . 1 172 PHE 7 29 54 24 44.4 1.1 >sigma 1 173 ASP 4 15 20 5 25.0 -0.1 . 1 174 GLU 5 11 21 4 19.0 -0.4 . 1 175 ASP 4 7 17 4 23.5 -0.2 . 1 176 GLU 5 8 26 5 19.2 -0.4 . 1 177 ARG 7 6 20 2 10.0 -1.0 >sigma 1 178 TRP 10 37 68 24 35.3 0.6 . 1 179 THR 4 15 30 10 33.3 0.4 . 1 180 ASP 4 10 26 8 30.8 0.3 . 1 181 GLY 3 4 8 3 37.5 0.7 . 1 182 SER 4 3 13 2 15.4 -0.7 . 1 183 SER 4 3 11 1 9.1 -1.1 >sigma 1 184 LEU 7 6 13 4 30.8 0.3 . 1 185 GLY 3 5 16 4 25.0 -0.1 . 1 186 ILE 6 25 41 14 34.1 0.5 . 1 187 ASN 6 3 18 1 5.6 -1.3 >sigma 1 188 PHE 7 23 59 10 16.9 -0.6 . 1 189 LEU 7 13 54 11 20.4 -0.4 . 1 190 TYR 6 2 30 1 3.3 -1.4 >sigma 1 191 ALA 3 14 32 12 37.5 0.7 . 1 192 ALA 3 20 34 17 50.0 1.5 >sigma 1 193 THR 4 17 38 15 39.5 0.8 . 1 194 HIS 6 10 30 5 16.7 -0.6 . 1 195 ALA 3 15 27 13 48.1 1.4 >sigma 1 196 LEU 7 30 65 21 32.3 0.4 . 1 197 GLY 3 13 25 9 36.0 0.6 . 1 198 HIS 6 22 26 9 34.6 0.5 . 1 199 SER 4 11 26 6 23.1 -0.2 . 1 200 LEU 7 30 52 13 25.0 -0.1 . 1 201 GLY 3 13 19 5 26.3 0.0 . 1 202 MET 6 30 42 15 35.7 0.6 . 1 203 GLY 3 4 8 3 37.5 0.7 . 1 204 HIS 6 10 29 5 17.2 -0.6 . 1 205 SER 4 10 17 6 35.3 0.6 . 1 206 SER 4 3 13 2 15.4 -0.7 . 1 207 ASP 4 4 19 4 21.1 -0.3 . 1 208 PRO 5 0 11 0 0.0 -1.6 >sigma 1 209 ASN 6 5 8 1 12.5 -0.8 . 1 210 ALA 3 17 28 8 28.6 0.1 . 1 211 VAL 5 15 43 9 20.9 -0.3 . 1 212 MET 6 5 38 4 10.5 -1.0 . 1 213 TYR 6 12 30 9 30.0 0.2 . 1 214 PRO 5 13 38 9 23.7 -0.2 . 1 215 THR 4 15 27 11 40.7 0.9 . 1 216 TYR 6 5 17 4 23.5 -0.2 . 1 217 GLY 3 1 6 1 16.7 -0.6 . 1 218 ASN 6 2 6 2 33.3 0.4 . 1 219 GLY 3 2 6 2 33.3 0.4 . 1 220 ASP 4 0 5 0 0.0 -1.6 >sigma 1 221 PRO 5 0 17 0 0.0 -1.6 >sigma 1 222 GLN 7 3 8 3 37.5 0.7 . 1 223 ASN 6 6 9 5 55.6 1.8 >sigma 1 224 PHE 7 11 41 7 17.1 -0.6 . 1 225 LYS 7 4 13 2 15.4 -0.7 . 1 226 LEU 7 25 52 12 23.1 -0.2 . 1 227 SER 4 9 28 6 21.4 -0.3 . 1 228 GLN 7 4 12 1 8.3 -1.1 >sigma 1 229 ASP 4 1 19 1 5.3 -1.3 >sigma 1 230 ASP 4 13 25 3 12.0 -0.9 . 1 231 ILE 6 24 41 10 24.4 -0.1 . 1 232 LYS 7 16 17 8 47.1 1.3 >sigma 1 233 GLY 3 15 15 9 60.0 2.1 >sigma 1 234 ILE 6 39 62 27 43.5 1.1 >sigma 1 235 GLN 7 13 22 6 27.3 0.1 . 1 236 LYS 7 8 25 5 20.0 -0.4 . 1 237 LEU 7 18 50 10 20.0 -0.4 . 1 238 TYR 6 28 46 14 30.4 0.3 . 1 239 GLY 3 0 10 0 0.0 -1.6 >sigma 1 240 LYS 7 0 9 0 0.0 -1.6 >sigma 1 241 ARG 7 0 10 0 0.0 -1.6 >sigma 1 242 SER 4 0 8 0 0.0 -1.6 >sigma 1 243 ASN 6 0 5 0 0.0 -1.6 >sigma 1 244 SER 4 0 5 0 0.0 -1.6 >sigma 1 245 ARG 7 0 8 0 0.0 -1.6 >sigma 1 246 LYS 7 0 11 0 0.0 -1.6 >sigma 1 247 LYS 7 0 6 0 0.0 -1.6 >sigma stop_ save_
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