NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
633442 | 6bqi | 30375 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6bqi save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 3 _NOE_completeness_stats.Residue_count 258 _NOE_completeness_stats.Total_atom_count 3996 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 1376 _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 31.2 _NOE_completeness_stats.Constraint_unexpanded_count 2571 _NOE_completeness_stats.Constraint_count 2572 _NOE_completeness_stats.Constraint_exp_unfiltered_count 3549 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 1 _NOE_completeness_stats.Constraint_intraresidue_count 495 _NOE_completeness_stats.Constraint_surplus_count 24 _NOE_completeness_stats.Constraint_observed_count 2052 _NOE_completeness_stats.Constraint_expected_count 3531 _NOE_completeness_stats.Constraint_matched_count 1102 _NOE_completeness_stats.Constraint_unmatched_count 950 _NOE_completeness_stats.Constraint_exp_nonobs_count 2429 _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 814 1257 504 40.1 1.0 >sigma medium-range 527 784 211 26.9 -0.5 . long-range 711 1490 387 26.0 -0.6 . 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 25 15 0 1 4 4 5 0 0 1 . 0 60.0 60.0 shell 2.00 2.50 407 175 2 8 52 53 29 12 8 8 . 3 43.0 44.0 shell 2.50 3.00 630 295 0 7 60 109 55 35 18 10 . 1 46.8 45.7 shell 3.00 3.50 965 266 0 2 39 66 62 54 30 10 . 3 27.6 37.0 shell 3.50 4.00 1504 351 0 0 10 70 104 82 47 37 . 1 23.3 31.2 shell 4.00 4.50 2427 416 0 0 0 24 125 123 82 59 . 3 17.1 25.5 shell 4.50 5.00 3153 289 0 0 0 1 30 89 81 85 . 3 9.2 19.8 shell 5.00 5.50 3883 156 0 0 0 0 0 20 50 81 . 5 4.0 15.1 shell 5.50 6.00 4457 69 0 0 0 0 0 1 11 51 . 6 1.5 11.6 shell 6.00 6.50 5065 14 0 0 0 0 0 0 2 3 . 9 0.3 9.1 shell 6.50 7.00 5518 2 0 0 0 0 0 0 0 0 . 2 0.0 7.3 shell 7.00 7.50 6055 3 0 0 0 0 0 0 0 0 . 3 0.0 6.0 shell 7.50 8.00 6638 0 0 0 0 0 0 0 0 0 . 0 0.0 5.0 shell 8.00 8.50 7179 0 0 0 0 0 0 0 0 0 . 0 0.0 4.3 shell 8.50 9.00 7916 1 0 0 0 0 0 0 0 0 . 1 0.0 3.7 sums . . 55822 2052 2 18 165 327 410 416 329 345 . 40 . . 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 4 4 2 50.0 1.0 >sigma 1 2 ASP 4 6 10 5 50.0 1.0 >sigma 1 3 ASP 4 13 17 8 47.1 0.9 . 1 4 ASP 4 7 11 4 36.4 0.2 . 1 5 HIS 6 15 15 8 53.3 1.2 >sigma 1 6 GLU 5 15 23 12 52.2 1.2 >sigma 1 7 GLN 7 17 28 10 35.7 0.2 . 1 8 LEU 7 36 56 18 32.1 -0.0 . 1 9 VAL 5 24 28 17 60.7 1.7 >sigma 1 10 GLU 5 21 19 10 52.6 1.2 >sigma 1 11 GLU 5 20 33 13 39.4 0.4 . 1 12 LEU 7 28 57 12 21.1 -0.7 . 1 13 GLU 5 16 23 6 26.1 -0.4 . 1 14 ALA 3 20 25 11 44.0 0.7 . 1 15 VAL 5 24 48 15 31.3 -0.1 . 1 16 GLU 5 20 35 9 25.7 -0.4 . 1 17 ALA 3 14 21 10 47.6 0.9 . 1 18 ILE 6 40 38 22 57.9 1.5 >sigma 1 19 TYR 6 36 43 20 46.5 0.8 . 1 20 PRO 5 10 14 5 35.7 0.2 . 1 21 ASP 4 7 9 5 55.6 1.4 >sigma 1 22 LEU 7 20 48 11 22.9 -0.6 . 1 23 LEU 7 27 62 12 19.4 -0.8 . 1 24 SER 4 20 15 10 66.7 2.0 >sigma 1 25 LYS 7 10 37 10 27.0 -0.3 . 1 26 LYS 7 22 35 10 28.6 -0.2 . 1 27 GLN 7 19 35 10 28.6 -0.2 . 1 28 GLU 5 5 8 3 37.5 0.3 . 1 29 ASP 4 10 12 5 41.7 0.5 . 1 30 GLY 3 7 18 6 33.3 0.1 . 1 31 SER 4 15 24 8 33.3 0.1 . 1 32 ILE 6 32 48 17 35.4 0.2 . 1 33 ILE 6 32 62 18 29.0 -0.2 . 1 34 VAL 5 23 42 14 33.3 0.1 . 1 35 VAL 5 38 49 16 32.7 0.0 . 1 36 LYS 7 17 51 7 13.7 -1.1 >sigma 1 37 VAL 5 27 47 12 25.5 -0.4 . 1 38 PRO 5 0 23 0 0.0 -1.9 >sigma 1 39 GLN 7 5 12 3 25.0 -0.4 . 1 40 HIS 6 8 17 5 29.4 -0.2 . 1 41 GLU 5 17 27 9 33.3 0.1 . 1 42 TYR 6 19 21 10 47.6 0.9 . 1 43 MET 6 26 48 17 35.4 0.2 . 1 44 THR 4 22 30 10 33.3 0.1 . 1 45 LEU 7 34 58 18 31.0 -0.1 . 1 46 GLN 7 21 33 12 36.4 0.2 . 1 47 ILE 6 38 66 19 28.8 -0.2 . 1 48 SER 4 33 33 22 66.7 2.0 >sigma 1 49 PHE 7 22 47 8 17.0 -0.9 . 1 50 PRO 5 12 31 7 22.6 -0.6 . 1 51 THR 4 17 14 10 71.4 2.3 >sigma 1 52 HIS 6 21 24 11 45.8 0.8 . 1 53 TYR 6 15 31 5 16.1 -1.0 . 1 54 PRO 5 6 47 4 8.5 -1.4 >sigma 1 55 SER 4 4 18 3 16.7 -0.9 . 1 56 GLU 5 7 21 3 14.3 -1.1 >sigma 1 57 GLU 5 15 29 6 20.7 -0.7 . 1 58 ALA 3 14 28 8 28.6 -0.2 . 1 59 PRO 5 0 37 0 0.0 -1.9 >sigma 1 60 ASN 6 24 27 11 40.7 0.5 . 1 61 VAL 5 35 51 20 39.2 0.4 . 1 62 ILE 6 24 33 15 45.5 0.8 . 1 63 GLU 5 17 27 11 40.7 0.5 . 1 64 VAL 5 34 53 19 35.8 0.2 . 1 65 GLY 3 17 17 11 64.7 1.9 >sigma 1 66 VAL 5 29 32 19 59.4 1.6 >sigma 1 67 CYS 4 15 14 11 78.6 2.7 >sigma 1 68 THR 4 5 5 2 40.0 0.4 . 1 69 SER 4 2 6 1 16.7 -0.9 . 1 70 LEU 7 0 15 0 0.0 -1.9 >sigma 1 71 ALA 3 2 14 1 7.1 -1.5 >sigma 1 72 LYS 7 6 19 4 21.1 -0.7 . 1 73 ARG 7 9 17 4 23.5 -0.5 . 1 74 ASP 4 9 11 7 63.6 1.8 >sigma 1 75 LEU 7 14 22 10 45.5 0.8 . 1 76 TYR 6 20 28 11 39.3 0.4 . 1 77 ASP 4 16 28 8 28.6 -0.2 . 1 78 THR 4 20 23 12 52.2 1.2 >sigma 1 79 LYS 7 12 24 6 25.0 -0.4 . 1 80 TYR 6 22 35 11 31.4 -0.1 . 1 81 LEU 7 21 46 12 26.1 -0.4 . 1 82 GLN 7 25 40 14 35.0 0.2 . 1 83 HIS 6 20 18 12 66.7 2.0 >sigma 1 84 LEU 7 21 37 11 29.7 -0.2 . 1 85 PHE 7 34 67 17 25.4 -0.4 . 1 86 GLN 7 23 25 11 44.0 0.7 . 1 87 GLU 5 10 19 5 26.3 -0.4 . 1 88 VAL 5 19 45 6 13.3 -1.1 >sigma 1 89 MET 6 22 59 16 27.1 -0.3 . 1 90 ASP 4 14 19 7 36.8 0.3 . 1 91 SER 4 8 19 5 26.3 -0.4 . 1 92 VAL 5 25 48 15 31.3 -0.1 . 1 93 PHE 7 11 32 8 25.0 -0.4 . 1 94 HIS 6 12 13 5 38.5 0.4 . 1 95 ARG 7 13 7 5 71.4 2.3 >sigma 1 96 GLY 3 9 8 4 50.0 1.0 >sigma 1 97 SER 4 10 17 4 23.5 -0.5 . 1 98 VAL 5 28 45 16 35.6 0.2 . 1 99 CYS 4 19 23 9 39.1 0.4 . 1 100 LEU 7 32 53 21 39.6 0.4 . 1 101 PHE 7 26 47 17 36.2 0.2 . 1 102 ASP 4 9 24 5 20.8 -0.7 . 1 103 PHE 7 28 58 15 25.9 -0.4 . 1 104 LEU 7 29 41 16 39.0 0.4 . 1 105 THR 4 12 32 8 25.0 -0.4 . 1 106 GLU 5 14 29 6 20.7 -0.7 . 1 107 LEU 7 46 48 23 47.9 0.9 . 1 108 ASP 4 11 15 6 40.0 0.4 . 1 109 GLY 3 6 11 4 36.4 0.2 . 1 110 VAL 5 13 29 8 27.6 -0.3 . 1 111 LEU 7 11 33 5 15.2 -1.0 >sigma 1 112 TYR 6 1 15 1 6.7 -1.5 >sigma 1 113 VAL 5 0 15 0 0.0 -1.9 >sigma 1 114 GLU 5 0 10 0 0.0 -1.9 >sigma 1 115 PRO 5 0 10 0 0.0 -1.9 >sigma 1 116 GLU 5 3 11 2 18.2 -0.8 . 1 117 GLU 5 4 9 3 33.3 0.1 . 1 118 GLU 5 3 14 3 21.4 -0.7 . 1 119 THR 4 6 11 5 45.5 0.8 . 1 120 GLU 5 5 7 4 57.1 1.5 >sigma 1 121 PRO 5 7 11 7 63.6 1.8 >sigma 1 122 VAL 5 6 11 6 54.5 1.3 >sigma 1 123 GLN 7 0 11 0 0.0 -1.9 >sigma 1 124 GLN 7 0 9 0 0.0 -1.9 >sigma 1 125 SER 4 4 9 1 11.1 -1.3 >sigma 1 126 ASP 4 10 7 3 42.9 0.6 . 1 127 ILE 6 31 35 9 25.7 -0.4 . 1 128 PRO 5 14 28 7 25.0 -0.4 . 1 129 THR 4 12 13 5 38.5 0.4 . 1 130 ASP 4 11 7 6 85.7 3.2 >sigma 1 131 PRO 5 11 20 6 30.0 -0.1 . 1 132 PHE 7 19 37 8 21.6 -0.6 . 1 133 GLU 5 12 32 7 21.9 -0.6 . 1 134 GLY 3 12 9 7 77.8 2.7 >sigma 1 135 TRP 10 26 66 11 16.7 -0.9 . 1 136 THR 4 26 33 12 36.4 0.2 . 1 137 ALA 3 21 27 8 29.6 -0.2 . 1 138 SER 4 13 15 6 40.0 0.4 . 1 139 ASP 4 6 19 3 15.8 -1.0 . 1 140 PRO 5 19 44 6 13.6 -1.1 >sigma 1 141 ILE 6 40 46 18 39.1 0.4 . 1 142 THR 4 28 36 13 36.1 0.2 . 1 143 ASP 4 15 17 5 29.4 -0.2 . 1 144 ARG 7 10 12 3 25.0 -0.4 . 1 145 GLY 3 8 12 2 16.7 -0.9 . 1 146 SER 4 14 21 3 14.3 -1.1 >sigma 1 147 THR 4 18 31 7 22.6 -0.6 . 1 148 PHE 7 23 45 10 22.2 -0.6 . 1 149 MET 6 13 48 5 10.4 -1.3 >sigma 1 150 ALA 3 17 20 7 35.0 0.2 . 1 151 PHE 7 32 59 16 27.1 -0.3 . 1 152 ALA 3 31 32 19 59.4 1.6 >sigma 1 153 ALA 3 25 31 14 45.2 0.8 . 1 154 HIS 6 16 21 8 38.1 0.3 . 1 155 VAL 5 39 47 22 46.8 0.9 . 1 156 THR 4 8 13 4 30.8 -0.1 . 1 157 SER 4 15 17 8 47.1 0.9 . 1 158 GLU 5 23 23 13 56.5 1.4 >sigma 1 159 GLU 5 20 16 9 56.3 1.4 >sigma 1 160 GLN 7 16 30 9 30.0 -0.1 . 1 161 ALA 3 17 38 10 26.3 -0.4 . 1 162 PHE 7 28 22 16 72.7 2.4 >sigma 1 163 ALA 3 20 20 12 60.0 1.6 >sigma 1 164 MET 6 21 38 14 36.8 0.3 . 1 165 LEU 7 24 56 14 25.0 -0.4 . 1 166 ASP 4 12 18 9 50.0 1.0 >sigma 1 167 LEU 7 16 36 9 25.0 -0.4 . 1 168 LEU 7 36 61 21 34.4 0.1 . 1 169 LYS 7 11 50 8 16.0 -1.0 . 1 170 THR 4 11 17 6 35.3 0.2 . 1 171 ASP 4 14 22 9 40.9 0.5 . 1 172 SER 4 4 21 1 4.8 -1.6 >sigma 1 173 LYS 7 10 25 7 28.0 -0.3 . 1 174 MET 6 18 46 12 26.1 -0.4 . 1 175 ARG 7 11 25 5 20.0 -0.7 . 1 176 LYS 7 15 26 4 15.4 -1.0 >sigma 1 177 ALA 3 21 20 12 60.0 1.6 >sigma 1 178 ASN 6 7 10 3 30.0 -0.1 . 1 179 HIS 6 10 20 4 20.0 -0.7 . 1 180 VAL 5 17 35 7 20.0 -0.7 . 1 181 MET 6 22 45 13 28.9 -0.2 . 1 182 SER 4 17 31 13 41.9 0.6 . 1 183 ALA 3 14 30 11 36.7 0.3 . 1 184 TRP 10 9 32 5 15.6 -1.0 . 1 185 ARG 7 11 25 3 12.0 -1.2 >sigma 1 186 ILE 6 42 46 17 37.0 0.3 . 1 187 LYS 7 24 28 15 53.6 1.3 >sigma 1 188 GLN 7 25 29 13 44.8 0.7 . 1 189 ASP 4 8 6 2 33.3 0.1 . 1 190 GLY 3 6 7 2 28.6 -0.2 . 1 191 SER 4 19 18 11 61.1 1.7 >sigma 1 192 ALA 3 12 13 8 61.5 1.7 >sigma 1 193 ALA 3 13 20 11 55.0 1.3 >sigma 1 194 THR 4 17 29 8 27.6 -0.3 . 1 195 TYR 6 12 21 8 38.1 0.3 . 1 196 GLN 7 4 8 1 12.5 -1.2 >sigma 1 197 ASP 4 1 7 1 14.3 -1.1 >sigma 1 198 SER 4 3 7 2 28.6 -0.2 . 1 199 ASP 4 7 6 3 50.0 1.0 >sigma 1 200 ASP 4 10 15 6 40.0 0.4 . 1 201 ASP 4 5 14 3 21.4 -0.7 . 1 202 GLY 3 3 11 1 9.1 -1.4 >sigma 1 203 GLU 5 10 22 3 13.6 -1.1 >sigma 1 204 THR 4 12 15 6 40.0 0.4 . 1 205 ALA 3 14 17 8 47.1 0.9 . 1 206 ALA 3 11 24 5 20.8 -0.7 . 1 207 GLY 3 9 16 5 31.3 -0.1 . 1 208 SER 4 12 17 7 41.2 0.5 . 1 209 ARG 7 7 16 4 25.0 -0.4 . 1 210 MET 6 17 44 13 29.5 -0.2 . 1 211 LEU 7 28 37 14 37.8 0.3 . 1 212 HIS 6 14 24 8 33.3 0.1 . 1 213 LEU 7 18 32 9 28.1 -0.3 . 1 214 ILE 6 25 48 14 29.2 -0.2 . 1 215 THR 4 14 26 6 23.1 -0.6 . 1 216 ILE 6 22 28 14 50.0 1.0 >sigma 1 217 MET 6 18 36 13 36.1 0.2 . 1 218 ASP 4 9 10 5 50.0 1.0 >sigma 1 219 VAL 5 25 37 13 35.1 0.2 . 1 220 TRP 10 19 26 12 46.2 0.8 . 1 221 ASN 6 20 19 8 42.1 0.6 . 1 222 VAL 5 30 43 15 34.9 0.1 . 1 223 ILE 6 27 59 11 18.6 -0.8 . 1 224 VAL 5 28 42 18 42.9 0.6 . 1 225 VAL 5 32 56 24 42.9 0.6 . 1 226 VAL 5 21 39 15 38.5 0.4 . 1 227 ALA 3 17 31 12 38.7 0.4 . 1 228 ARG 7 10 37 5 13.5 -1.1 >sigma 1 229 TRP 10 15 39 6 15.4 -1.0 >sigma 1 230 PHE 7 0 18 0 0.0 -1.9 >sigma 1 231 GLY 3 0 8 0 0.0 -1.9 >sigma 1 232 GLY 3 0 9 0 0.0 -1.9 >sigma 1 233 ALA 3 0 10 0 0.0 -1.9 >sigma 1 234 HIS 6 12 25 3 12.0 -1.2 >sigma 1 235 ILE 6 21 37 2 5.4 -1.6 >sigma 1 236 GLY 3 0 17 0 0.0 -1.9 >sigma 1 237 PRO 5 0 13 0 0.0 -1.9 >sigma 1 238 ASP 4 3 13 2 15.4 -1.0 >sigma 1 239 ARG 7 10 38 2 5.3 -1.6 >sigma 1 240 PHE 7 18 40 8 20.0 -0.7 . 1 241 LYS 7 15 19 6 31.6 -0.0 . 1 242 HIS 6 11 15 6 40.0 0.4 . 1 243 ILE 6 16 52 5 9.6 -1.4 >sigma 1 244 ASN 6 20 23 13 56.5 1.4 >sigma 1 245 SER 4 12 12 6 50.0 1.0 >sigma 1 246 THR 4 6 21 5 23.8 -0.5 . 1 247 ALA 3 11 29 5 17.2 -0.9 . 1 248 ARG 7 9 18 5 27.8 -0.3 . 1 249 GLU 5 10 19 6 31.6 -0.0 . 1 250 ALA 3 17 32 7 21.9 -0.6 . 1 251 VAL 5 39 38 23 60.5 1.7 >sigma 1 252 VAL 5 19 35 13 37.1 0.3 . 1 253 ARG 7 9 28 4 14.3 -1.1 >sigma 1 254 ALA 3 20 28 14 50.0 1.0 >sigma 1 255 GLY 3 4 13 2 15.4 -1.0 >sigma 1 256 PHE 7 34 58 23 39.7 0.4 . 1 257 ASP 4 13 17 6 35.3 0.2 . 1 258 SER 4 5 8 3 37.5 0.3 . stop_ save_
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