NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
579718 | 2mf6 | 18125 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2mf6 save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 15 _NOE_completeness_stats.Residue_count 516 _NOE_completeness_stats.Total_atom_count 8072 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 2852 _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 6.0 _NOE_completeness_stats.Constraint_unexpanded_count 3056 _NOE_completeness_stats.Constraint_count 3064 _NOE_completeness_stats.Constraint_exp_unfiltered_count 7947 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 268 _NOE_completeness_stats.Constraint_intraresidue_count 516 _NOE_completeness_stats.Constraint_surplus_count 20 _NOE_completeness_stats.Constraint_observed_count 2260 _NOE_completeness_stats.Constraint_expected_count 7935 _NOE_completeness_stats.Constraint_matched_count 475 _NOE_completeness_stats.Constraint_unmatched_count 1785 _NOE_completeness_stats.Constraint_exp_nonobs_count 7460 _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 972 1995 451 22.6 1.4 >sigma medium-range 228 957 24 2.5 -0.3 . long-range 976 3745 0 0.0 -0.5 . intermolecular 84 1238 0 0.0 -0.5 . 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 46 3 0 0 3 0 0 0 0 0 . 0 6.5 6.5 shell 2.00 2.50 1113 172 0 0 108 32 8 16 8 0 . 0 15.5 15.1 shell 2.50 3.00 1351 96 0 0 12 16 20 40 4 0 . 4 7.1 10.8 shell 3.00 3.50 2131 83 0 0 19 0 33 17 6 4 . 4 3.9 7.6 shell 3.50 4.00 3294 121 0 0 22 12 27 23 25 8 . 4 3.7 6.0 shell 4.00 4.50 5215 309 0 0 24 24 80 108 45 16 . 12 5.9 6.0 shell 4.50 5.00 7131 139 0 0 4 12 23 52 12 16 . 20 1.9 4.6 shell 5.00 5.50 8440 33 0 0 0 0 1 4 4 8 . 16 0.4 3.3 shell 5.50 6.00 9987 60 0 0 0 0 8 8 8 20 . 16 0.6 2.6 shell 6.00 6.50 11469 64 0 0 0 4 8 16 0 12 . 24 0.6 2.2 shell 6.50 7.00 13121 29 0 0 0 4 0 4 9 4 . 8 0.2 1.8 shell 7.00 7.50 14892 35 0 0 0 4 4 8 3 0 . 16 0.2 1.5 shell 7.50 8.00 16198 22 0 0 0 0 4 4 0 0 . 14 0.1 1.2 shell 8.00 8.50 17681 10 0 0 0 0 0 0 4 0 . 6 0.1 1.0 shell 8.50 9.00 19337 34 0 0 0 0 4 0 8 0 . 22 0.2 0.9 sums . . 131406 1210 0 0 192 108 220 300 136 88 . 166 . . 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 GLN 7 0 4 0 0.0 -1.0 . 1 2 THR 4 0 8 0 0.0 -1.0 . 1 3 VAL 5 1 9 1 11.1 0.3 . 1 4 ALA 3 3 8 3 37.5 3.2 >sigma 1 5 ARG 7 6 9 3 33.3 2.8 >sigma 1 6 LYS 7 17 9 2 22.2 1.5 >sigma 1 7 CYS 4 7 20 2 10.0 0.2 . 1 8 SER 4 5 13 2 15.4 0.8 . 1 9 LEU 7 16 51 4 7.8 -0.1 . 1 10 THR 4 16 21 4 19.0 1.2 >sigma 1 11 GLY 3 8 8 2 25.0 1.8 >sigma 1 12 LYS 7 10 35 2 5.7 -0.3 . 1 13 TRP 10 7 76 2 2.6 -0.7 . 1 14 THR 4 8 30 2 6.7 -0.2 . 1 15 ASN 6 7 33 1 3.0 -0.6 . 1 16 ASP 4 16 10 3 30.0 2.4 >sigma 1 17 LEU 7 12 44 6 13.6 0.6 . 1 18 GLY 3 5 10 3 30.0 2.4 >sigma 1 19 SER 4 11 25 1 4.0 -0.5 . 1 20 ASN 6 8 19 2 10.5 0.2 . 1 21 MET 6 3 45 1 2.2 -0.7 . 1 22 THR 4 5 22 2 9.1 0.1 . 1 23 ILE 6 24 55 3 5.5 -0.3 . 1 24 GLY 3 6 7 1 14.3 0.6 . 1 25 ALA 3 1 11 0 0.0 -1.0 . 1 26 VAL 5 7 30 1 3.3 -0.6 . 1 27 ASN 6 7 21 1 4.8 -0.4 . 1 28 SER 4 10 7 3 42.9 3.8 >sigma 1 29 ARG 7 28 25 6 24.0 1.7 >sigma 1 30 GLY 3 5 19 4 21.1 1.4 >sigma 1 31 GLU 5 4 36 1 2.8 -0.6 . 1 32 PHE 7 11 61 1 1.6 -0.8 . 1 33 THR 4 12 18 2 11.1 0.3 . 1 34 GLY 3 4 20 1 5.0 -0.4 . 1 35 THR 4 10 27 0 0.0 -1.0 . 1 36 TYR 6 13 58 1 1.7 -0.8 . 1 37 ILE 6 17 32 3 9.4 0.1 . 1 38 THR 4 14 32 3 9.4 0.1 . 1 39 ALA 3 5 21 3 14.3 0.6 . 1 40 VAL 5 4 39 2 5.1 -0.4 . 1 41 ALA 3 8 32 2 6.3 -0.3 . 1 42 ASP 4 2 12 1 8.3 -0.0 . 1 43 ASN 6 4 8 2 25.0 1.8 >sigma 1 44 PRO 5 13 25 2 8.0 -0.1 . 1 45 GLY 3 3 7 1 14.3 0.6 . 1 46 ASN 6 9 11 1 9.1 0.1 . 1 47 ILE 6 11 43 2 4.7 -0.4 . 1 48 THR 4 6 20 2 10.0 0.2 . 1 49 LEU 7 22 31 2 6.5 -0.2 . 1 50 SER 4 4 25 1 4.0 -0.5 . 1 51 PRO 5 0 30 0 0.0 -1.0 . 1 52 LEU 7 13 65 1 1.5 -0.8 . 1 53 LEU 7 22 48 3 6.3 -0.3 . 1 54 GLY 3 3 28 2 7.1 -0.2 . 1 55 ILE 6 0 59 0 0.0 -1.0 . 1 56 GLN 7 0 51 0 0.0 -1.0 . 1 57 HIS 6 4 29 1 3.4 -0.6 . 1 58 LYS 7 0 14 0 0.0 -1.0 . 1 59 ARG 7 3 11 1 9.1 0.1 . 1 60 ALA 3 6 18 2 11.1 0.3 . 1 61 SER 4 9 11 3 27.3 2.1 >sigma 1 62 GLN 7 16 18 1 5.6 -0.3 . 1 63 PRO 5 0 29 0 0.0 -1.0 . 1 64 THR 4 1 35 0 0.0 -1.0 . 1 65 PHE 7 5 62 1 1.6 -0.8 . 1 66 GLY 3 4 26 1 3.8 -0.5 . 1 67 PHE 7 7 60 2 3.3 -0.6 . 1 68 THR 4 13 45 3 6.7 -0.2 . 1 69 VAL 5 4 50 1 2.0 -0.7 . 1 70 ASN 6 11 27 0 0.0 -1.0 . 1 71 TRP 10 9 53 1 1.9 -0.7 . 1 72 LYS 7 3 29 1 3.4 -0.6 . 1 73 PHE 7 6 49 1 2.0 -0.7 . 1 74 SER 4 10 12 2 16.7 0.9 . 1 75 GLU 5 21 11 1 9.1 0.1 . 1 76 SER 4 6 17 1 5.9 -0.3 . 1 77 THR 4 4 37 1 2.7 -0.7 . 1 78 THR 4 12 44 3 6.8 -0.2 . 1 79 VAL 5 17 52 3 5.8 -0.3 . 1 80 PHE 7 11 55 0 0.0 -1.0 . 1 81 THR 4 10 37 2 5.4 -0.4 . 1 82 GLY 3 6 27 2 7.4 -0.1 . 1 83 GLN 7 13 45 2 4.4 -0.5 . 1 84 CYS 4 17 20 2 10.0 0.2 . 1 85 PHE 7 9 66 2 3.0 -0.6 . 1 86 ILE 6 4 39 2 5.1 -0.4 . 1 87 ASP 4 4 20 0 0.0 -1.0 . 1 88 ARG 7 8 12 0 0.0 -1.0 . 1 89 ASN 6 9 19 3 15.8 0.8 . 1 90 GLY 3 8 11 3 27.3 2.1 >sigma 1 91 LYS 7 26 20 1 5.0 -0.4 . 1 92 GLU 5 9 27 4 14.8 0.7 . 1 93 VAL 5 23 45 5 11.1 0.3 . 1 94 LEU 7 13 65 4 6.2 -0.3 . 1 95 LYS 7 25 64 3 4.7 -0.4 . 1 96 THR 4 12 38 1 2.6 -0.7 . 1 97 MET 6 15 50 0 0.0 -1.0 . 1 98 TRP 10 20 60 1 1.7 -0.8 . 1 99 LEU 7 13 62 3 4.8 -0.4 . 1 100 LEU 7 6 47 3 6.4 -0.2 . 1 101 ARG 7 17 63 2 3.2 -0.6 . 1 102 SER 4 3 18 2 11.1 0.3 . 1 103 SER 4 11 15 3 20.0 1.3 >sigma 1 104 VAL 5 15 41 5 12.2 0.4 . 1 105 ASN 6 8 8 3 37.5 3.2 >sigma 1 106 ASP 4 11 19 3 15.8 0.8 . 1 107 ILE 6 9 48 2 4.2 -0.5 . 1 108 GLY 3 6 14 3 21.4 1.4 >sigma 1 109 ASP 4 9 30 3 10.0 0.2 . 1 110 ASP 4 25 28 5 17.9 1.0 >sigma 1 111 TRP 10 9 68 3 4.4 -0.5 . 1 112 LYS 7 4 46 1 2.2 -0.7 . 1 113 ALA 3 4 31 2 6.5 -0.2 . 1 114 THR 4 11 30 3 10.0 0.2 . 1 115 ARG 7 12 33 3 9.1 0.1 . 1 116 VAL 5 11 62 3 4.8 -0.4 . 1 117 GLY 3 4 16 1 6.3 -0.3 . 1 118 TYR 6 23 38 2 5.3 -0.4 . 1 119 ASN 6 7 28 3 10.7 0.2 . 1 120 ILE 6 6 43 2 4.7 -0.4 . 1 121 PHE 7 15 60 1 1.7 -0.8 . 1 122 THR 4 1 25 0 0.0 -1.0 . 1 123 ARG 7 0 26 0 0.0 -1.0 . 1 124 LEU 7 0 41 0 0.0 -1.0 . 1 125 ARG 7 2 12 2 16.7 0.9 . 1 126 THR 4 2 9 2 22.2 1.5 >sigma 1 127 GLN 7 0 9 0 0.0 -1.0 . 1 128 LYS 7 0 10 0 0.0 -1.0 . 1 129 GLU 5 0 5 0 0.0 -1.0 . 2 1 GLN 7 0 4 0 0.0 -1.0 . 2 2 THR 4 0 8 0 0.0 -1.0 . 2 3 VAL 5 1 9 1 11.1 0.3 . 2 4 ALA 3 3 9 3 33.3 2.8 >sigma 2 5 ARG 7 6 9 3 33.3 2.8 >sigma 2 6 LYS 7 17 10 2 20.0 1.3 >sigma 2 7 CYS 4 7 16 2 12.5 0.4 . 2 8 SER 4 5 13 2 15.4 0.8 . 2 9 LEU 7 16 51 4 7.8 -0.1 . 2 10 THR 4 16 22 4 18.2 1.1 >sigma 2 11 GLY 3 8 8 2 25.0 1.8 >sigma 2 12 LYS 7 10 36 2 5.6 -0.3 . 2 13 TRP 10 7 74 2 2.7 -0.7 . 2 14 THR 4 8 29 2 6.9 -0.2 . 2 15 ASN 6 7 34 1 2.9 -0.6 . 2 16 ASP 4 16 10 3 30.0 2.4 >sigma 2 17 LEU 7 12 44 6 13.6 0.6 . 2 18 GLY 3 5 10 3 30.0 2.4 >sigma 2 19 SER 4 11 26 1 3.8 -0.5 . 2 20 ASN 6 8 23 2 8.7 0.0 . 2 21 MET 6 3 46 1 2.2 -0.7 . 2 22 THR 4 5 23 2 8.7 0.0 . 2 23 ILE 6 24 55 3 5.5 -0.3 . 2 24 GLY 3 6 7 1 14.3 0.6 . 2 25 ALA 3 1 11 0 0.0 -1.0 . 2 26 VAL 5 7 31 1 3.2 -0.6 . 2 27 ASN 6 7 19 1 5.3 -0.4 . 2 28 SER 4 10 6 3 50.0 4.6 >sigma 2 29 ARG 7 28 26 6 23.1 1.6 >sigma 2 30 GLY 3 5 18 4 22.2 1.5 >sigma 2 31 GLU 5 4 37 1 2.7 -0.7 . 2 32 PHE 7 11 64 1 1.6 -0.8 . 2 33 THR 4 12 19 2 10.5 0.2 . 2 34 GLY 3 4 19 1 5.3 -0.4 . 2 35 THR 4 10 27 0 0.0 -1.0 . 2 36 TYR 6 13 58 1 1.7 -0.8 . 2 37 ILE 6 17 32 3 9.4 0.1 . 2 38 THR 4 14 32 3 9.4 0.1 . 2 39 ALA 3 5 21 3 14.3 0.6 . 2 40 VAL 5 4 39 2 5.1 -0.4 . 2 41 ALA 3 8 32 2 6.3 -0.3 . 2 42 ASP 4 2 12 1 8.3 -0.0 . 2 43 ASN 6 4 8 2 25.0 1.8 >sigma 2 44 PRO 5 13 25 2 8.0 -0.1 . 2 45 GLY 3 3 7 1 14.3 0.6 . 2 46 ASN 6 9 11 1 9.1 0.1 . 2 47 ILE 6 11 43 2 4.7 -0.4 . 2 48 THR 4 6 20 2 10.0 0.2 . 2 49 LEU 7 22 31 2 6.5 -0.2 . 2 50 SER 4 4 25 1 4.0 -0.5 . 2 51 PRO 5 0 30 0 0.0 -1.0 . 2 52 LEU 7 13 66 1 1.5 -0.8 . 2 53 LEU 7 22 54 3 5.6 -0.3 . 2 54 GLY 3 3 26 2 7.7 -0.1 . 2 55 ILE 6 0 57 0 0.0 -1.0 . 2 56 GLN 7 0 50 0 0.0 -1.0 . 2 57 HIS 6 4 29 1 3.4 -0.6 . 2 58 LYS 7 0 14 0 0.0 -1.0 . 2 59 ARG 7 3 11 1 9.1 0.1 . 2 60 ALA 3 6 18 2 11.1 0.3 . 2 61 SER 4 9 10 3 30.0 2.4 >sigma 2 62 GLN 7 16 17 1 5.9 -0.3 . 2 63 PRO 5 0 28 0 0.0 -1.0 . 2 64 THR 4 1 35 0 0.0 -1.0 . 2 65 PHE 7 5 62 1 1.6 -0.8 . 2 66 GLY 3 4 26 1 3.8 -0.5 . 2 67 PHE 7 7 61 2 3.3 -0.6 . 2 68 THR 4 13 46 3 6.5 -0.2 . 2 69 VAL 5 4 49 1 2.0 -0.7 . 2 70 ASN 6 11 27 0 0.0 -1.0 . 2 71 TRP 10 9 53 1 1.9 -0.7 . 2 72 LYS 7 3 29 1 3.4 -0.6 . 2 73 PHE 7 6 49 1 2.0 -0.7 . 2 74 SER 4 10 12 2 16.7 0.9 . 2 75 GLU 5 21 11 1 9.1 0.1 . 2 76 SER 4 6 17 1 5.9 -0.3 . 2 77 THR 4 4 37 1 2.7 -0.7 . 2 78 THR 4 12 44 3 6.8 -0.2 . 2 79 VAL 5 17 52 3 5.8 -0.3 . 2 80 PHE 7 11 54 0 0.0 -1.0 . 2 81 THR 4 10 37 2 5.4 -0.4 . 2 82 GLY 3 6 27 2 7.4 -0.1 . 2 83 GLN 7 13 46 2 4.3 -0.5 . 2 84 CYS 4 17 19 2 10.5 0.2 . 2 85 PHE 7 9 65 2 3.1 -0.6 . 2 86 ILE 6 4 39 2 5.1 -0.4 . 2 87 ASP 4 4 19 0 0.0 -1.0 . 2 88 ARG 7 8 12 0 0.0 -1.0 . 2 89 ASN 6 9 18 3 16.7 0.9 . 2 90 GLY 3 8 11 3 27.3 2.1 >sigma 2 91 LYS 7 26 21 1 4.8 -0.4 . 2 92 GLU 5 9 26 4 15.4 0.8 . 2 93 VAL 5 23 44 5 11.4 0.3 . 2 94 LEU 7 13 65 4 6.2 -0.3 . 2 95 LYS 7 25 64 3 4.7 -0.4 . 2 96 THR 4 12 38 1 2.6 -0.7 . 2 97 MET 6 15 51 0 0.0 -1.0 . 2 98 TRP 10 20 60 1 1.7 -0.8 . 2 99 LEU 7 13 62 3 4.8 -0.4 . 2 100 LEU 7 6 47 3 6.4 -0.2 . 2 101 ARG 7 17 63 2 3.2 -0.6 . 2 102 SER 4 3 18 2 11.1 0.3 . 2 103 SER 4 11 15 3 20.0 1.3 >sigma 2 104 VAL 5 15 41 5 12.2 0.4 . 2 105 ASN 6 8 8 3 37.5 3.2 >sigma 2 106 ASP 4 11 20 3 15.0 0.7 . 2 107 ILE 6 9 47 2 4.3 -0.5 . 2 108 GLY 3 6 14 3 21.4 1.4 >sigma 2 109 ASP 4 9 30 3 10.0 0.2 . 2 110 ASP 4 25 28 5 17.9 1.0 >sigma 2 111 TRP 10 9 68 3 4.4 -0.5 . 2 112 LYS 7 4 45 1 2.2 -0.7 . 2 113 ALA 3 4 31 2 6.5 -0.2 . 2 114 THR 4 11 30 3 10.0 0.2 . 2 115 ARG 7 12 33 3 9.1 0.1 . 2 116 VAL 5 11 62 3 4.8 -0.4 . 2 117 GLY 3 4 16 1 6.3 -0.3 . 2 118 TYR 6 23 39 2 5.1 -0.4 . 2 119 ASN 6 7 28 3 10.7 0.2 . 2 120 ILE 6 6 43 2 4.7 -0.4 . 2 121 PHE 7 15 61 1 1.6 -0.8 . 2 122 THR 4 1 25 0 0.0 -1.0 . 2 123 ARG 7 0 23 0 0.0 -1.0 . 2 124 LEU 7 0 43 0 0.0 -1.0 . 2 125 ARG 7 2 12 2 16.7 0.9 . 2 126 THR 4 2 8 2 25.0 1.8 >sigma 2 127 GLN 7 0 9 0 0.0 -1.0 . 2 128 LYS 7 0 10 0 0.0 -1.0 . 2 129 GLU 5 0 5 0 0.0 -1.0 . 3 1 GLN 7 0 4 0 0.0 -1.0 . 3 2 THR 4 0 8 0 0.0 -1.0 . 3 3 VAL 5 1 9 1 11.1 0.3 . 3 4 ALA 3 3 8 3 37.5 3.2 >sigma 3 5 ARG 7 6 10 3 30.0 2.4 >sigma 3 6 LYS 7 17 9 2 22.2 1.5 >sigma 3 7 CYS 4 7 15 2 13.3 0.5 . 3 8 SER 4 5 12 2 16.7 0.9 . 3 9 LEU 7 16 51 4 7.8 -0.1 . 3 10 THR 4 16 21 4 19.0 1.2 >sigma 3 11 GLY 3 8 8 2 25.0 1.8 >sigma 3 12 LYS 7 10 36 2 5.6 -0.3 . 3 13 TRP 10 7 73 2 2.7 -0.7 . 3 14 THR 4 8 29 2 6.9 -0.2 . 3 15 ASN 6 7 34 1 2.9 -0.6 . 3 16 ASP 4 16 10 3 30.0 2.4 >sigma 3 17 LEU 7 12 44 6 13.6 0.6 . 3 18 GLY 3 5 10 3 30.0 2.4 >sigma 3 19 SER 4 11 26 1 3.8 -0.5 . 3 20 ASN 6 8 21 2 9.5 0.1 . 3 21 MET 6 3 47 1 2.1 -0.7 . 3 22 THR 4 5 23 2 8.7 0.0 . 3 23 ILE 6 24 55 3 5.5 -0.3 . 3 24 GLY 3 6 7 1 14.3 0.6 . 3 25 ALA 3 1 11 0 0.0 -1.0 . 3 26 VAL 5 7 30 1 3.3 -0.6 . 3 27 ASN 6 7 21 1 4.8 -0.4 . 3 28 SER 4 10 7 3 42.9 3.8 >sigma 3 29 ARG 7 28 25 6 24.0 1.7 >sigma 3 30 GLY 3 5 19 4 21.1 1.4 >sigma 3 31 GLU 5 4 36 1 2.8 -0.6 . 3 32 PHE 7 11 62 1 1.6 -0.8 . 3 33 THR 4 12 17 2 11.8 0.4 . 3 34 GLY 3 4 20 1 5.0 -0.4 . 3 35 THR 4 10 27 0 0.0 -1.0 . 3 36 TYR 6 13 58 1 1.7 -0.8 . 3 37 ILE 6 17 32 3 9.4 0.1 . 3 38 THR 4 14 32 3 9.4 0.1 . 3 39 ALA 3 5 21 3 14.3 0.6 . 3 40 VAL 5 4 39 2 5.1 -0.4 . 3 41 ALA 3 8 32 2 6.3 -0.3 . 3 42 ASP 4 2 12 1 8.3 -0.0 . 3 43 ASN 6 4 8 2 25.0 1.8 >sigma 3 44 PRO 5 13 25 2 8.0 -0.1 . 3 45 GLY 3 3 7 1 14.3 0.6 . 3 46 ASN 6 9 11 1 9.1 0.1 . 3 47 ILE 6 11 43 2 4.7 -0.4 . 3 48 THR 4 6 20 2 10.0 0.2 . 3 49 LEU 7 22 31 2 6.5 -0.2 . 3 50 SER 4 4 25 1 4.0 -0.5 . 3 51 PRO 5 0 30 0 0.0 -1.0 . 3 52 LEU 7 13 65 1 1.5 -0.8 . 3 53 LEU 7 22 47 3 6.4 -0.2 . 3 54 GLY 3 3 28 2 7.1 -0.2 . 3 55 ILE 6 0 59 0 0.0 -1.0 . 3 56 GLN 7 0 51 0 0.0 -1.0 . 3 57 HIS 6 4 29 1 3.4 -0.6 . 3 58 LYS 7 0 14 0 0.0 -1.0 . 3 59 ARG 7 3 11 1 9.1 0.1 . 3 60 ALA 3 6 18 2 11.1 0.3 . 3 61 SER 4 9 10 3 30.0 2.4 >sigma 3 62 GLN 7 16 18 1 5.6 -0.3 . 3 63 PRO 5 0 28 0 0.0 -1.0 . 3 64 THR 4 1 35 0 0.0 -1.0 . 3 65 PHE 7 5 63 1 1.6 -0.8 . 3 66 GLY 3 4 26 1 3.8 -0.5 . 3 67 PHE 7 7 60 2 3.3 -0.6 . 3 68 THR 4 13 45 3 6.7 -0.2 . 3 69 VAL 5 4 49 1 2.0 -0.7 . 3 70 ASN 6 11 27 0 0.0 -1.0 . 3 71 TRP 10 9 53 1 1.9 -0.7 . 3 72 LYS 7 3 29 1 3.4 -0.6 . 3 73 PHE 7 6 49 1 2.0 -0.7 . 3 74 SER 4 10 12 2 16.7 0.9 . 3 75 GLU 5 21 11 1 9.1 0.1 . 3 76 SER 4 6 17 1 5.9 -0.3 . 3 77 THR 4 4 37 1 2.7 -0.7 . 3 78 THR 4 12 44 3 6.8 -0.2 . 3 79 VAL 5 17 52 3 5.8 -0.3 . 3 80 PHE 7 11 54 0 0.0 -1.0 . 3 81 THR 4 10 37 2 5.4 -0.4 . 3 82 GLY 3 6 27 2 7.4 -0.1 . 3 83 GLN 7 13 46 2 4.3 -0.5 . 3 84 CYS 4 17 19 2 10.5 0.2 . 3 85 PHE 7 9 67 2 3.0 -0.6 . 3 86 ILE 6 4 40 2 5.0 -0.4 . 3 87 ASP 4 4 20 0 0.0 -1.0 . 3 88 ARG 7 8 12 0 0.0 -1.0 . 3 89 ASN 6 9 19 3 15.8 0.8 . 3 90 GLY 3 8 11 3 27.3 2.1 >sigma 3 91 LYS 7 26 20 1 5.0 -0.4 . 3 92 GLU 5 9 25 4 16.0 0.8 . 3 93 VAL 5 23 44 5 11.4 0.3 . 3 94 LEU 7 13 65 4 6.2 -0.3 . 3 95 LYS 7 25 64 3 4.7 -0.4 . 3 96 THR 4 12 38 1 2.6 -0.7 . 3 97 MET 6 15 50 0 0.0 -1.0 . 3 98 TRP 10 20 60 1 1.7 -0.8 . 3 99 LEU 7 13 62 3 4.8 -0.4 . 3 100 LEU 7 6 47 3 6.4 -0.2 . 3 101 ARG 7 17 63 2 3.2 -0.6 . 3 102 SER 4 3 18 2 11.1 0.3 . 3 103 SER 4 11 15 3 20.0 1.3 >sigma 3 104 VAL 5 15 42 5 11.9 0.4 . 3 105 ASN 6 8 8 3 37.5 3.2 >sigma 3 106 ASP 4 11 20 3 15.0 0.7 . 3 107 ILE 6 9 49 2 4.1 -0.5 . 3 108 GLY 3 6 14 3 21.4 1.4 >sigma 3 109 ASP 4 9 30 3 10.0 0.2 . 3 110 ASP 4 25 29 5 17.2 1.0 . 3 111 TRP 10 9 67 3 4.5 -0.5 . 3 112 LYS 7 4 45 1 2.2 -0.7 . 3 113 ALA 3 4 31 2 6.5 -0.2 . 3 114 THR 4 11 30 3 10.0 0.2 . 3 115 ARG 7 12 33 3 9.1 0.1 . 3 116 VAL 5 11 62 3 4.8 -0.4 . 3 117 GLY 3 4 16 1 6.3 -0.3 . 3 118 TYR 6 23 38 2 5.3 -0.4 . 3 119 ASN 6 7 28 3 10.7 0.2 . 3 120 ILE 6 6 43 2 4.7 -0.4 . 3 121 PHE 7 15 61 1 1.6 -0.8 . 3 122 THR 4 1 25 0 0.0 -1.0 . 3 123 ARG 7 0 25 0 0.0 -1.0 . 3 124 LEU 7 0 44 0 0.0 -1.0 . 3 125 ARG 7 2 13 2 15.4 0.8 . 3 126 THR 4 2 9 2 22.2 1.5 >sigma 3 127 GLN 7 0 8 0 0.0 -1.0 . 3 128 LYS 7 0 9 0 0.0 -1.0 . 3 129 GLU 5 0 5 0 0.0 -1.0 . 4 1 GLN 7 0 4 0 0.0 -1.0 . 4 2 THR 4 0 8 0 0.0 -1.0 . 4 3 VAL 5 1 9 1 11.1 0.3 . 4 4 ALA 3 3 8 3 37.5 3.2 >sigma 4 5 ARG 7 6 9 3 33.3 2.8 >sigma 4 6 LYS 7 17 9 2 22.2 1.5 >sigma 4 7 CYS 4 7 16 2 12.5 0.4 . 4 8 SER 4 5 12 2 16.7 0.9 . 4 9 LEU 7 16 51 4 7.8 -0.1 . 4 10 THR 4 16 21 4 19.0 1.2 >sigma 4 11 GLY 3 8 8 2 25.0 1.8 >sigma 4 12 LYS 7 10 36 2 5.6 -0.3 . 4 13 TRP 10 7 73 2 2.7 -0.7 . 4 14 THR 4 8 30 2 6.7 -0.2 . 4 15 ASN 6 7 34 1 2.9 -0.6 . 4 16 ASP 4 16 10 3 30.0 2.4 >sigma 4 17 LEU 7 12 44 6 13.6 0.6 . 4 18 GLY 3 5 10 3 30.0 2.4 >sigma 4 19 SER 4 11 26 1 3.8 -0.5 . 4 20 ASN 6 8 21 2 9.5 0.1 . 4 21 MET 6 3 46 1 2.2 -0.7 . 4 22 THR 4 5 23 2 8.7 0.0 . 4 23 ILE 6 24 55 3 5.5 -0.3 . 4 24 GLY 3 6 7 1 14.3 0.6 . 4 25 ALA 3 1 11 0 0.0 -1.0 . 4 26 VAL 5 7 31 1 3.2 -0.6 . 4 27 ASN 6 7 19 1 5.3 -0.4 . 4 28 SER 4 10 6 3 50.0 4.6 >sigma 4 29 ARG 7 28 26 6 23.1 1.6 >sigma 4 30 GLY 3 5 18 4 22.2 1.5 >sigma 4 31 GLU 5 4 37 1 2.7 -0.7 . 4 32 PHE 7 11 64 1 1.6 -0.8 . 4 33 THR 4 12 19 2 10.5 0.2 . 4 34 GLY 3 4 19 1 5.3 -0.4 . 4 35 THR 4 10 27 0 0.0 -1.0 . 4 36 TYR 6 13 58 1 1.7 -0.8 . 4 37 ILE 6 17 33 3 9.1 0.1 . 4 38 THR 4 14 33 3 9.1 0.1 . 4 39 ALA 3 5 21 3 14.3 0.6 . 4 40 VAL 5 4 39 2 5.1 -0.4 . 4 41 ALA 3 8 32 2 6.3 -0.3 . 4 42 ASP 4 2 12 1 8.3 -0.0 . 4 43 ASN 6 4 8 2 25.0 1.8 >sigma 4 44 PRO 5 13 25 2 8.0 -0.1 . 4 45 GLY 3 3 7 1 14.3 0.6 . 4 46 ASN 6 9 11 1 9.1 0.1 . 4 47 ILE 6 11 43 2 4.7 -0.4 . 4 48 THR 4 6 20 2 10.0 0.2 . 4 49 LEU 7 22 31 2 6.5 -0.2 . 4 50 SER 4 4 25 1 4.0 -0.5 . 4 51 PRO 5 0 30 0 0.0 -1.0 . 4 52 LEU 7 13 66 1 1.5 -0.8 . 4 53 LEU 7 22 54 3 5.6 -0.3 . 4 54 GLY 3 3 26 2 7.7 -0.1 . 4 55 ILE 6 0 57 0 0.0 -1.0 . 4 56 GLN 7 0 50 0 0.0 -1.0 . 4 57 HIS 6 4 29 1 3.4 -0.6 . 4 58 LYS 7 0 14 0 0.0 -1.0 . 4 59 ARG 7 3 11 1 9.1 0.1 . 4 60 ALA 3 6 18 2 11.1 0.3 . 4 61 SER 4 9 11 3 27.3 2.1 >sigma 4 62 GLN 7 16 18 1 5.6 -0.3 . 4 63 PRO 5 0 28 0 0.0 -1.0 . 4 64 THR 4 1 35 0 0.0 -1.0 . 4 65 PHE 7 5 62 1 1.6 -0.8 . 4 66 GLY 3 4 26 1 3.8 -0.5 . 4 67 PHE 7 7 61 2 3.3 -0.6 . 4 68 THR 4 13 46 3 6.5 -0.2 . 4 69 VAL 5 4 49 1 2.0 -0.7 . 4 70 ASN 6 11 27 0 0.0 -1.0 . 4 71 TRP 10 9 53 1 1.9 -0.7 . 4 72 LYS 7 3 29 1 3.4 -0.6 . 4 73 PHE 7 6 49 1 2.0 -0.7 . 4 74 SER 4 10 12 2 16.7 0.9 . 4 75 GLU 5 21 11 1 9.1 0.1 . 4 76 SER 4 6 17 1 5.9 -0.3 . 4 77 THR 4 4 37 1 2.7 -0.7 . 4 78 THR 4 12 44 3 6.8 -0.2 . 4 79 VAL 5 17 52 3 5.8 -0.3 . 4 80 PHE 7 11 54 0 0.0 -1.0 . 4 81 THR 4 10 37 2 5.4 -0.4 . 4 82 GLY 3 6 27 2 7.4 -0.1 . 4 83 GLN 7 13 46 2 4.3 -0.5 . 4 84 CYS 4 17 19 2 10.5 0.2 . 4 85 PHE 7 9 68 2 2.9 -0.6 . 4 86 ILE 6 4 40 2 5.0 -0.4 . 4 87 ASP 4 4 19 0 0.0 -1.0 . 4 88 ARG 7 8 12 0 0.0 -1.0 . 4 89 ASN 6 9 18 3 16.7 0.9 . 4 90 GLY 3 8 11 3 27.3 2.1 >sigma 4 91 LYS 7 26 21 1 4.8 -0.4 . 4 92 GLU 5 9 27 4 14.8 0.7 . 4 93 VAL 5 23 44 5 11.4 0.3 . 4 94 LEU 7 13 65 4 6.2 -0.3 . 4 95 LYS 7 25 64 3 4.7 -0.4 . 4 96 THR 4 12 38 1 2.6 -0.7 . 4 97 MET 6 15 51 0 0.0 -1.0 . 4 98 TRP 10 20 60 1 1.7 -0.8 . 4 99 LEU 7 13 62 3 4.8 -0.4 . 4 100 LEU 7 6 47 3 6.4 -0.2 . 4 101 ARG 7 17 63 2 3.2 -0.6 . 4 102 SER 4 3 18 2 11.1 0.3 . 4 103 SER 4 11 15 3 20.0 1.3 >sigma 4 104 VAL 5 15 42 5 11.9 0.4 . 4 105 ASN 6 8 8 3 37.5 3.2 >sigma 4 106 ASP 4 11 20 3 15.0 0.7 . 4 107 ILE 6 9 48 2 4.2 -0.5 . 4 108 GLY 3 6 14 3 21.4 1.4 >sigma 4 109 ASP 4 9 30 3 10.0 0.2 . 4 110 ASP 4 25 29 5 17.2 1.0 . 4 111 TRP 10 9 67 3 4.5 -0.5 . 4 112 LYS 7 4 45 1 2.2 -0.7 . 4 113 ALA 3 4 31 2 6.5 -0.2 . 4 114 THR 4 11 30 3 10.0 0.2 . 4 115 ARG 7 12 33 3 9.1 0.1 . 4 116 VAL 5 11 62 3 4.8 -0.4 . 4 117 GLY 3 4 16 1 6.3 -0.3 . 4 118 TYR 6 23 39 2 5.1 -0.4 . 4 119 ASN 6 7 28 3 10.7 0.2 . 4 120 ILE 6 6 43 2 4.7 -0.4 . 4 121 PHE 7 15 61 1 1.6 -0.8 . 4 122 THR 4 1 25 0 0.0 -1.0 . 4 123 ARG 7 0 24 0 0.0 -1.0 . 4 124 LEU 7 0 42 0 0.0 -1.0 . 4 125 ARG 7 2 9 1 11.1 0.3 . 4 126 THR 4 2 8 1 12.5 0.4 . 4 127 GLN 7 0 8 0 0.0 -1.0 . 4 128 LYS 7 0 9 0 0.0 -1.0 . 4 129 GLU 5 0 5 0 0.0 -1.0 . stop_ save_
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