NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
648446 | 6ujv | 30503 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6ujv save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 15 _NOE_completeness_stats.Residue_count 387 _NOE_completeness_stats.Total_atom_count 5577 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 1986 _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 13.5 _NOE_completeness_stats.Constraint_unexpanded_count 1247 _NOE_completeness_stats.Constraint_count 1262 _NOE_completeness_stats.Constraint_exp_unfiltered_count 4411 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 114 _NOE_completeness_stats.Constraint_intraresidue_count 170 _NOE_completeness_stats.Constraint_surplus_count 4 _NOE_completeness_stats.Constraint_observed_count 974 _NOE_completeness_stats.Constraint_expected_count 4408 _NOE_completeness_stats.Constraint_matched_count 593 _NOE_completeness_stats.Constraint_unmatched_count 381 _NOE_completeness_stats.Constraint_exp_nonobs_count 3815 _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 351 1709 307 18.0 1.0 . medium-range 458 1641 244 14.9 0.6 . long-range 39 326 11 3.4 -0.8 . intermolecular 126 732 31 4.2 -0.7 . 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 18 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 2.00 2.50 248 31 0 3 18 4 3 3 0 0 . 0 12.5 11.7 shell 2.50 3.00 840 217 0 3 169 10 19 14 2 0 . 0 25.8 22.4 shell 3.00 3.50 1153 112 0 0 18 55 17 20 2 0 . 0 9.7 15.9 shell 3.50 4.00 2149 233 0 0 11 121 53 33 13 2 . 0 10.8 13.5 shell 4.00 4.50 3061 160 0 0 0 5 38 75 32 6 . 4 5.2 10.1 shell 4.50 5.00 4503 119 0 0 0 0 7 53 47 9 . 3 2.6 7.3 shell 5.00 5.50 5617 62 0 0 0 0 1 14 32 12 . 3 1.1 5.3 shell 5.50 6.00 6673 26 0 0 0 0 0 1 15 1 . 9 0.4 4.0 shell 6.00 6.50 6987 11 0 0 0 0 0 0 0 0 . 11 0.2 3.1 shell 6.50 7.00 7497 3 0 0 0 0 0 0 0 0 . 3 0.0 2.5 shell 7.00 7.50 8275 0 0 0 0 0 0 0 0 0 . 0 0.0 2.1 shell 7.50 8.00 8997 0 0 0 0 0 0 0 0 0 . 0 0.0 1.7 shell 8.00 8.50 9796 0 0 0 0 0 0 0 0 0 . 0 0.0 1.5 shell 8.50 9.00 10303 0 0 0 0 0 0 0 0 0 . 0 0.0 1.3 sums . . 76117 974 0 6 216 195 138 213 143 30 . 33 . . 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 LEU 7 2 15 0 0.0 -1.3 >sigma 1 2 LEU 7 5 34 1 2.9 -1.0 >sigma 1 3 GLU 5 5 22 2 9.1 -0.4 . 1 4 LEU 7 8 27 5 18.5 0.4 . 1 5 ASP 4 8 16 6 37.5 2.1 >sigma 1 6 LYS 7 8 32 5 15.6 0.1 . 1 7 TRP 10 17 34 9 26.5 1.1 >sigma 1 8 ALA 3 10 21 7 33.3 1.8 >sigma 1 9 SER 4 4 15 4 26.7 1.2 >sigma 1 10 LEU 7 8 34 5 14.7 0.1 . 1 11 TRP 10 7 19 3 15.8 0.2 . 1 12 ASN 6 3 13 2 15.4 0.1 . 1 13 TRP 10 5 31 3 9.7 -0.4 . 1 14 PHE 7 1 7 1 14.3 0.0 . 1 15 ASP 4 2 12 1 8.3 -0.5 . 1 16 ILE 6 3 42 2 4.8 -0.8 . 1 17 THR 4 5 32 1 3.1 -1.0 . 1 18 ASN 6 2 15 1 6.7 -0.7 . 1 19 TRP 10 8 22 3 13.6 -0.0 . 1 20 LEU 7 6 37 2 5.4 -0.8 . 1 21 TRP 10 4 21 1 4.8 -0.8 . 1 22 TYR 6 5 26 3 11.5 -0.2 . 1 23 ILE 6 7 35 2 5.7 -0.8 . 1 24 ARG 7 4 36 2 5.6 -0.8 . 1 25 ILE 6 13 32 5 15.6 0.1 . 1 26 PHE 7 14 33 6 18.2 0.4 . 1 27 ILE 6 9 53 3 5.7 -0.8 . 1 28 ILE 6 6 27 3 11.1 -0.3 . 1 29 ILE 6 6 33 2 6.1 -0.7 . 1 30 VAL 5 9 43 5 11.6 -0.2 . 1 31 GLY 3 5 19 4 21.1 0.6 . 1 32 SER 4 4 11 1 9.1 -0.4 . 1 33 LEU 7 7 40 3 7.5 -0.6 . 1 34 ILE 6 12 67 5 7.5 -0.6 . 1 35 GLY 3 6 13 3 23.1 0.8 . 1 36 LEU 7 10 31 7 22.6 0.8 . 1 37 ARG 7 9 49 7 14.3 0.0 . 1 38 ILE 6 6 22 4 18.2 0.4 . 1 39 VAL 5 11 26 9 34.6 1.9 >sigma 1 40 PHE 7 9 36 6 16.7 0.2 . 1 41 ALA 3 11 16 8 50.0 3.3 >sigma 1 42 VAL 5 6 36 5 13.9 -0.0 . 1 43 LEU 7 12 38 5 13.2 -0.1 . 1 44 SER 4 8 18 6 33.3 1.8 >sigma 1 45 LEU 7 13 44 12 27.3 1.2 >sigma 1 46 VAL 5 14 44 10 22.7 0.8 . 1 47 ASN 6 13 30 10 33.3 1.8 >sigma 1 48 ARG 7 11 55 8 14.5 0.1 . 1 49 VAL 5 15 41 9 22.0 0.7 . 1 50 ARG 7 10 47 6 12.8 -0.1 . 1 51 GLN 7 6 37 4 10.8 -0.3 . 1 52 GLY 3 2 12 1 8.3 -0.5 . 1 53 TYR 6 2 26 0 0.0 -1.3 >sigma 1 54 SER 4 1 15 1 6.7 -0.7 . 1 55 PRO 5 3 25 1 4.0 -0.9 . 1 56 LEU 7 1 17 0 0.0 -1.3 >sigma 1 57 SER 4 2 17 0 0.0 -1.3 >sigma 1 80 GLU 5 1 9 1 11.1 -0.3 . 1 81 ARG 7 1 10 1 10.0 -0.4 . 1 82 ASP 4 0 19 0 0.0 -1.3 >sigma 1 83 ARG 7 5 30 2 6.7 -0.7 . 1 84 ASP 4 5 23 3 13.0 -0.1 . 1 85 ARG 7 4 25 3 12.0 -0.2 . 1 86 SER 4 6 30 5 16.7 0.2 . 1 87 ILE 6 14 55 8 14.5 0.1 . 1 88 ARG 7 5 46 5 10.9 -0.3 . 1 89 LEU 7 4 46 3 6.5 -0.7 . 1 90 VAL 5 4 28 2 7.1 -0.6 . 1 91 ASN 6 6 35 1 2.9 -1.0 >sigma 1 92 GLY 3 3 20 2 10.0 -0.4 . 1 93 SER 4 2 19 2 10.5 -0.3 . 1 94 LEU 7 9 26 4 15.4 0.1 . 1 95 ALA 3 8 28 4 14.3 0.0 . 1 96 LEU 7 8 39 4 10.3 -0.3 . 1 97 ILE 6 2 32 1 3.1 -1.0 . 1 98 TRP 10 7 45 1 2.2 -1.1 >sigma 1 99 ASP 4 4 34 2 5.9 -0.7 . 1 100 ASP 4 5 14 1 7.1 -0.6 . 1 101 LEU 7 5 20 2 10.0 -0.4 . 1 102 ARG 7 3 35 0 0.0 -1.3 >sigma 1 103 SER 4 0 21 0 0.0 -1.3 >sigma 1 104 LEU 7 4 35 0 0.0 -1.3 >sigma 1 105 SER 4 4 27 1 3.7 -0.9 . 1 106 LEU 7 0 18 0 0.0 -1.3 >sigma 1 107 PHE 7 0 15 0 0.0 -1.3 >sigma 1 108 SER 4 0 15 0 0.0 -1.3 >sigma 1 109 TYR 6 3 20 2 10.0 -0.4 . 1 110 HIS 6 0 13 0 0.0 -1.3 >sigma 1 111 ARG 7 2 24 1 4.2 -0.9 . 1 112 LEU 7 5 45 3 6.7 -0.7 . 1 113 ARG 7 5 19 5 26.3 1.1 >sigma 1 114 ASP 4 8 20 6 30.0 1.5 >sigma 1 115 LEU 7 6 44 5 11.4 -0.2 . 1 116 LEU 7 8 21 8 38.1 2.2 >sigma 1 117 LEU 7 8 19 7 36.8 2.1 >sigma 1 118 ILE 6 9 37 7 18.9 0.5 . 1 119 VAL 5 8 38 8 21.1 0.6 . 1 120 THR 4 7 16 7 43.8 2.7 >sigma 1 121 ARG 7 9 16 6 37.5 2.1 >sigma 1 122 ILE 6 10 44 9 20.5 0.6 . 1 123 VAL 5 11 32 7 21.9 0.7 . 1 124 GLU 5 6 20 5 25.0 1.0 >sigma 1 125 LEU 7 8 16 7 43.8 2.7 >sigma 1 126 LEU 7 9 32 5 15.6 0.1 . 1 127 GLY 3 3 11 3 27.3 1.2 >sigma 1 128 ARG 7 3 10 2 20.0 0.5 . 1 129 ARG 7 0 4 0 0.0 -1.3 >sigma 2 1 LEU 7 2 18 0 0.0 -1.3 >sigma 2 2 LEU 7 5 35 1 2.9 -1.0 >sigma 2 3 GLU 5 5 23 2 8.7 -0.5 . 2 4 LEU 7 8 32 5 15.6 0.1 . 2 5 ASP 4 8 16 6 37.5 2.1 >sigma 2 6 LYS 7 8 36 5 13.9 -0.0 . 2 7 TRP 10 17 34 9 26.5 1.1 >sigma 2 8 ALA 3 10 19 7 36.8 2.1 >sigma 2 9 SER 4 4 16 4 25.0 1.0 >sigma 2 10 LEU 7 8 35 4 11.4 -0.2 . 2 11 TRP 10 7 17 3 17.6 0.3 . 2 12 ASN 6 3 13 2 15.4 0.1 . 2 13 TRP 10 5 28 2 7.1 -0.6 . 2 14 PHE 7 1 7 1 14.3 0.0 . 2 15 ASP 4 2 13 2 15.4 0.1 . 2 16 ILE 6 3 35 2 5.7 -0.8 . 2 17 THR 4 5 33 1 3.0 -1.0 >sigma 2 18 ASN 6 2 18 2 11.1 -0.3 . 2 19 TRP 10 8 22 3 13.6 -0.0 . 2 20 LEU 7 6 34 2 5.9 -0.7 . 2 21 TRP 10 4 25 2 8.0 -0.5 . 2 22 TYR 6 5 24 3 12.5 -0.1 . 2 23 ILE 6 7 40 2 5.0 -0.8 . 2 24 ARG 7 4 38 3 7.9 -0.6 . 2 25 ILE 6 13 35 7 20.0 0.5 . 2 26 PHE 7 14 34 8 23.5 0.9 . 2 27 ILE 6 9 46 3 6.5 -0.7 . 2 28 ILE 6 6 27 3 11.1 -0.3 . 2 29 ILE 6 6 32 3 9.4 -0.4 . 2 30 VAL 5 9 42 6 14.3 0.0 . 2 31 GLY 3 5 19 3 15.8 0.2 . 2 32 SER 4 4 12 1 8.3 -0.5 . 2 33 LEU 7 7 44 3 6.8 -0.7 . 2 34 ILE 6 12 65 5 7.7 -0.6 . 2 35 GLY 3 6 14 3 21.4 0.7 . 2 36 LEU 7 10 29 7 24.1 0.9 . 2 37 ARG 7 9 54 6 11.1 -0.3 . 2 38 ILE 6 6 23 3 13.0 -0.1 . 2 39 VAL 5 11 33 10 30.3 1.5 >sigma 2 40 PHE 7 9 40 7 17.5 0.3 . 2 41 ALA 3 11 18 7 38.9 2.3 >sigma 2 42 VAL 5 6 28 5 17.9 0.4 . 2 43 LEU 7 12 41 6 14.6 0.1 . 2 44 SER 4 8 15 6 40.0 2.4 >sigma 2 45 LEU 7 13 45 12 26.7 1.2 >sigma 2 46 VAL 5 14 46 10 21.7 0.7 . 2 47 ASN 6 13 37 11 29.7 1.4 >sigma 2 48 ARG 7 11 59 8 13.6 -0.0 . 2 49 VAL 5 15 38 10 26.3 1.1 >sigma 2 50 ARG 7 10 52 6 11.5 -0.2 . 2 51 GLN 7 6 38 4 10.5 -0.3 . 2 52 GLY 3 2 10 1 10.0 -0.4 . 2 53 TYR 6 2 32 0 0.0 -1.3 >sigma 2 54 SER 4 1 16 0 0.0 -1.3 >sigma 2 55 PRO 5 3 32 1 3.1 -1.0 . 2 56 LEU 7 1 23 1 4.3 -0.9 . 2 57 SER 4 2 13 0 0.0 -1.3 >sigma 2 80 GLU 5 1 6 1 16.7 0.2 . 2 81 ARG 7 1 9 1 11.1 -0.3 . 2 82 ASP 4 0 12 0 0.0 -1.3 >sigma 2 83 ARG 7 5 33 2 6.1 -0.7 . 2 84 ASP 4 5 14 3 21.4 0.7 . 2 85 ARG 7 4 27 3 11.1 -0.3 . 2 86 SER 4 6 25 5 20.0 0.5 . 2 87 ILE 6 14 50 8 16.0 0.2 . 2 88 ARG 7 5 47 5 10.6 -0.3 . 2 89 LEU 7 4 35 3 8.6 -0.5 . 2 90 VAL 5 4 27 2 7.4 -0.6 . 2 91 ASN 6 6 30 1 3.3 -1.0 . 2 92 GLY 3 3 15 3 20.0 0.5 . 2 93 SER 4 2 12 2 16.7 0.2 . 2 94 LEU 7 9 25 4 16.0 0.2 . 2 95 ALA 3 8 27 4 14.8 0.1 . 2 96 LEU 7 8 37 6 16.2 0.2 . 2 97 ILE 6 2 32 1 3.1 -1.0 . 2 98 TRP 10 7 47 1 2.1 -1.1 >sigma 2 99 ASP 4 4 23 1 4.3 -0.9 . 2 100 ASP 4 5 17 1 5.9 -0.7 . 2 101 LEU 7 5 19 2 10.5 -0.3 . 2 102 ARG 7 3 33 0 0.0 -1.3 >sigma 2 103 SER 4 0 13 0 0.0 -1.3 >sigma 2 104 LEU 7 4 29 0 0.0 -1.3 >sigma 2 105 SER 4 4 27 1 3.7 -0.9 . 2 106 LEU 7 0 19 0 0.0 -1.3 >sigma 2 107 PHE 7 0 11 0 0.0 -1.3 >sigma 2 108 SER 4 0 13 0 0.0 -1.3 >sigma 2 109 TYR 6 3 22 2 9.1 -0.4 . 2 110 HIS 6 0 15 0 0.0 -1.3 >sigma 2 111 ARG 7 2 26 1 3.8 -0.9 . 2 112 LEU 7 5 52 3 5.8 -0.8 . 2 113 ARG 7 5 18 4 22.2 0.8 . 2 114 ASP 4 8 20 6 30.0 1.5 >sigma 2 115 LEU 7 6 41 5 12.2 -0.2 . 2 116 LEU 7 8 26 7 26.9 1.2 >sigma 2 117 LEU 7 8 19 7 36.8 2.1 >sigma 2 118 ILE 6 9 37 7 18.9 0.5 . 2 119 VAL 5 8 39 7 17.9 0.4 . 2 120 THR 4 7 17 7 41.2 2.5 >sigma 2 121 ARG 7 9 27 6 22.2 0.8 . 2 122 ILE 6 10 49 8 16.3 0.2 . 2 123 VAL 5 11 32 7 21.9 0.7 . 2 124 GLU 5 6 18 5 27.8 1.3 >sigma 2 125 LEU 7 8 21 7 33.3 1.8 >sigma 2 126 LEU 7 9 34 5 14.7 0.1 . 2 127 GLY 3 3 12 3 25.0 1.0 >sigma 2 128 ARG 7 3 9 2 22.2 0.8 . 2 129 ARG 7 0 7 0 0.0 -1.3 >sigma 3 1 LEU 7 2 18 0 0.0 -1.3 >sigma 3 2 LEU 7 5 20 1 5.0 -0.8 . 3 3 GLU 5 5 28 2 7.1 -0.6 . 3 4 LEU 7 8 28 7 25.0 1.0 >sigma 3 5 ASP 4 8 16 6 37.5 2.1 >sigma 3 6 LYS 7 8 36 6 16.7 0.2 . 3 7 TRP 10 17 33 8 24.2 0.9 . 3 8 ALA 3 10 18 8 44.4 2.8 >sigma 3 9 SER 4 4 18 4 22.2 0.8 . 3 10 LEU 7 8 34 4 11.8 -0.2 . 3 11 TRP 10 7 18 3 16.7 0.2 . 3 12 ASN 6 3 12 2 16.7 0.2 . 3 13 TRP 10 5 30 2 6.7 -0.7 . 3 14 PHE 7 1 7 1 14.3 0.0 . 3 15 ASP 4 2 13 2 15.4 0.1 . 3 16 ILE 6 3 42 2 4.8 -0.8 . 3 17 THR 4 5 35 1 2.9 -1.0 >sigma 3 18 ASN 6 2 18 2 11.1 -0.3 . 3 19 TRP 10 8 25 3 12.0 -0.2 . 3 20 LEU 7 6 33 1 3.0 -1.0 >sigma 3 21 TRP 10 4 23 2 8.7 -0.5 . 3 22 TYR 6 5 28 3 10.7 -0.3 . 3 23 ILE 6 7 38 2 5.3 -0.8 . 3 24 ARG 7 4 35 3 8.6 -0.5 . 3 25 ILE 6 13 28 5 17.9 0.4 . 3 26 PHE 7 14 32 6 18.8 0.4 . 3 27 ILE 6 9 50 3 6.0 -0.7 . 3 28 ILE 6 6 25 3 12.0 -0.2 . 3 29 ILE 6 6 32 2 6.3 -0.7 . 3 30 VAL 5 9 42 4 9.5 -0.4 . 3 31 GLY 3 5 18 4 22.2 0.8 . 3 32 SER 4 4 12 1 8.3 -0.5 . 3 33 LEU 7 7 44 3 6.8 -0.7 . 3 34 ILE 6 12 66 5 7.6 -0.6 . 3 35 GLY 3 6 20 5 25.0 1.0 >sigma 3 36 LEU 7 10 27 6 22.2 0.8 . 3 37 ARG 7 9 48 6 12.5 -0.1 . 3 38 ILE 6 6 24 4 16.7 0.2 . 3 39 VAL 5 11 33 9 27.3 1.2 >sigma 3 40 PHE 7 9 43 7 16.3 0.2 . 3 41 ALA 3 11 19 6 31.6 1.6 >sigma 3 42 VAL 5 6 28 5 17.9 0.4 . 3 43 LEU 7 12 39 6 15.4 0.1 . 3 44 SER 4 8 18 6 33.3 1.8 >sigma 3 45 LEU 7 12 49 11 22.4 0.8 . 3 46 VAL 5 14 41 10 24.4 1.0 . 3 47 ASN 6 13 33 11 33.3 1.8 >sigma 3 48 ARG 7 10 52 7 13.5 -0.0 . 3 49 VAL 5 15 47 11 23.4 0.9 . 3 50 ARG 7 10 41 6 14.6 0.1 . 3 51 GLN 7 6 40 5 12.5 -0.1 . 3 52 GLY 3 2 14 1 7.1 -0.6 . 3 53 TYR 6 2 32 0 0.0 -1.3 >sigma 3 54 SER 4 1 19 1 5.3 -0.8 . 3 55 PRO 5 3 35 1 2.9 -1.0 >sigma 3 56 LEU 7 1 15 0 0.0 -1.3 >sigma 3 57 SER 4 2 14 0 0.0 -1.3 >sigma 3 80 GLU 5 1 9 1 11.1 -0.3 . 3 81 ARG 7 1 13 1 7.7 -0.6 . 3 82 ASP 4 0 12 0 0.0 -1.3 >sigma 3 83 ARG 7 5 35 3 8.6 -0.5 . 3 84 ASP 4 5 16 3 18.8 0.4 . 3 85 ARG 7 4 26 3 11.5 -0.2 . 3 86 SER 4 6 23 6 26.1 1.1 >sigma 3 87 ILE 6 14 50 9 18.0 0.4 . 3 88 ARG 7 5 36 5 13.9 -0.0 . 3 89 LEU 7 4 37 3 8.1 -0.5 . 3 90 VAL 5 4 29 2 6.9 -0.6 . 3 91 ASN 6 6 29 1 3.4 -1.0 . 3 92 GLY 3 3 18 3 16.7 0.2 . 3 93 SER 4 2 12 2 16.7 0.2 . 3 94 LEU 7 9 24 4 16.7 0.2 . 3 95 ALA 3 8 27 4 14.8 0.1 . 3 96 LEU 7 8 43 6 14.0 -0.0 . 3 97 ILE 6 2 31 1 3.2 -1.0 . 3 98 TRP 10 7 46 1 2.2 -1.1 >sigma 3 99 ASP 4 4 22 1 4.5 -0.9 . 3 100 ASP 4 5 13 1 7.7 -0.6 . 3 101 LEU 7 5 23 1 4.3 -0.9 . 3 102 ARG 7 3 37 1 2.7 -1.0 >sigma 3 103 SER 4 0 14 0 0.0 -1.3 >sigma 3 104 LEU 7 4 29 0 0.0 -1.3 >sigma 3 105 SER 4 4 27 2 7.4 -0.6 . 3 106 LEU 7 0 20 0 0.0 -1.3 >sigma 3 107 PHE 7 0 10 0 0.0 -1.3 >sigma 3 108 SER 4 0 8 0 0.0 -1.3 >sigma 3 109 TYR 6 3 19 1 5.3 -0.8 . 3 110 HIS 6 0 12 0 0.0 -1.3 >sigma 3 111 ARG 7 2 19 1 5.3 -0.8 . 3 112 LEU 7 5 48 3 6.3 -0.7 . 3 113 ARG 7 5 16 4 25.0 1.0 >sigma 3 114 ASP 4 8 16 6 37.5 2.1 >sigma 3 115 LEU 7 6 37 5 13.5 -0.0 . 3 116 LEU 7 8 21 7 33.3 1.8 >sigma 3 117 LEU 7 8 12 7 58.3 4.1 >sigma 3 118 ILE 6 9 39 7 17.9 0.4 . 3 119 VAL 5 8 36 8 22.2 0.8 . 3 120 THR 4 7 16 7 43.8 2.7 >sigma 3 121 ARG 7 9 21 6 28.6 1.3 >sigma 3 122 ILE 6 10 63 9 14.3 0.0 . 3 123 VAL 5 11 30 6 20.0 0.5 . 3 124 GLU 5 6 16 5 31.3 1.6 >sigma 3 125 LEU 7 8 24 7 29.2 1.4 >sigma 3 126 LEU 7 9 35 5 14.3 0.0 . 3 127 GLY 3 3 8 2 25.0 1.0 >sigma 3 128 ARG 7 3 10 2 20.0 0.5 . 3 129 ARG 7 0 4 0 0.0 -1.3 >sigma stop_ save_
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