NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
455096 | 3msp | 4242 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_3msp save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 20 _NOE_completeness_stats.Residue_count 252 _NOE_completeness_stats.Total_atom_count 3980 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 1402 _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 45.1 _NOE_completeness_stats.Constraint_unexpanded_count 2902 _NOE_completeness_stats.Constraint_count 2902 _NOE_completeness_stats.Constraint_exp_unfiltered_count 3039 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 164 _NOE_completeness_stats.Constraint_intraresidue_count 388 _NOE_completeness_stats.Constraint_surplus_count 2 _NOE_completeness_stats.Constraint_observed_count 2348 _NOE_completeness_stats.Constraint_expected_count 3037 _NOE_completeness_stats.Constraint_matched_count 1371 _NOE_completeness_stats.Constraint_unmatched_count 977 _NOE_completeness_stats.Constraint_exp_nonobs_count 1666 _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 806 904 552 61.1 1.1 >sigma medium-range 332 366 150 41.0 0.1 . long-range 1174 1681 655 39.0 -0.0 . intermolecular 36 86 14 16.3 -1.2 >sigma 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 16 14 4 0 0 8 0 0 2 0 . 0 87.5 87.5 shell 2.00 2.50 364 310 182 0 6 70 0 6 40 0 . 6 85.2 85.3 shell 2.50 3.00 493 264 8 0 2 110 0 18 112 2 . 12 53.5 67.4 shell 3.00 3.50 835 377 0 0 10 80 2 38 217 0 . 30 45.1 56.5 shell 3.50 4.00 1329 406 0 0 2 34 0 34 278 0 . 58 30.5 45.1 shell 4.00 4.50 2446 429 0 0 0 0 0 16 349 0 . 64 17.5 32.8 shell 4.50 5.00 3092 346 0 0 0 0 0 6 268 0 . 72 11.2 25.0 shell 5.00 5.50 3691 110 0 0 0 0 0 2 48 0 . 60 3.0 18.4 shell 5.50 6.00 4359 44 0 0 0 0 0 0 8 0 . 36 1.0 13.8 shell 6.00 6.50 5319 36 0 0 0 0 0 0 2 0 . 34 0.7 10.6 shell 6.50 7.00 5733 10 0 0 0 0 0 0 0 0 . 10 0.2 8.5 shell 7.00 7.50 6160 2 0 0 0 0 0 0 0 0 . 2 0.0 6.9 shell 7.50 8.00 6555 0 0 0 0 0 0 0 0 0 . 0 0.0 5.8 shell 8.00 8.50 7506 0 0 0 0 0 0 0 0 0 . 0 0.0 4.9 shell 8.50 9.00 8058 0 0 0 0 0 0 0 0 0 . 0 0.0 4.2 sums . . 55956 2348 194 0 20 302 2 120 1,324 2 . 384 . . 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 ALA 3 1 2 1 50.0 0.0 . 1 2 GLN 7 2 7 2 28.6 -1.2 >sigma 1 3 SER 4 4 10 3 30.0 -1.1 >sigma 1 4 VAL 5 9 10 5 50.0 0.0 . 1 5 PRO 5 5 11 4 36.4 -0.8 . 1 6 PRO 5 15 32 10 31.3 -1.1 >sigma 1 7 GLY 3 9 10 6 60.0 0.6 . 1 8 ASP 4 10 10 7 70.0 1.2 >sigma 1 9 ILE 6 50 53 29 54.7 0.3 . 1 10 ASN 6 18 18 12 66.7 1.0 >sigma 1 11 THR 4 23 31 16 51.6 0.1 . 1 12 GLN 7 10 30 8 26.7 -1.3 >sigma 1 13 PRO 5 18 31 11 35.5 -0.8 . 1 14 SER 4 10 11 5 45.5 -0.2 . 1 15 GLN 7 9 15 8 53.3 0.2 . 1 16 LYS 7 5 19 4 21.1 -1.7 >sigma 1 17 ILE 6 30 57 15 26.3 -1.4 >sigma 1 18 VAL 5 18 43 11 25.6 -1.4 >sigma 1 19 PHE 7 29 47 20 42.6 -0.4 . 1 20 ASN 6 5 19 3 15.8 -2.0 >sigma 1 21 ALA 3 28 26 14 53.8 0.3 . 1 22 PRO 5 13 25 6 24.0 -1.5 >sigma 1 23 TYR 6 33 37 20 54.1 0.3 . 1 24 ASP 4 16 12 8 66.7 1.0 >sigma 1 25 ASP 4 14 13 8 61.5 0.7 . 1 26 LYS 7 9 14 7 50.0 0.0 . 1 27 HIS 6 9 9 5 55.6 0.4 . 1 28 THR 4 11 13 8 61.5 0.7 . 1 29 TYR 6 18 28 9 32.1 -1.0 >sigma 1 30 HIS 6 14 13 9 69.2 1.2 >sigma 1 31 ILE 6 17 41 14 34.1 -0.9 . 1 32 LYS 7 14 27 6 22.2 -1.6 >sigma 1 33 ILE 6 51 52 25 48.1 -0.1 . 1 34 THR 4 31 31 16 51.6 0.1 . 1 35 ASN 6 18 47 10 21.3 -1.7 >sigma 1 36 ALA 3 20 18 12 66.7 1.0 >sigma 1 37 GLY 3 13 16 9 56.3 0.4 . 1 38 GLY 3 6 11 4 36.4 -0.8 . 1 39 ARG 7 11 15 5 33.3 -0.9 . 1 40 ARG 7 10 25 6 24.0 -1.5 >sigma 1 41 ILE 6 42 64 24 37.5 -0.7 . 1 42 GLY 3 16 26 14 53.8 0.3 . 1 43 TRP 10 46 62 25 40.3 -0.5 . 1 44 ALA 3 19 28 15 53.6 0.3 . 1 45 ILE 6 38 58 25 43.1 -0.4 . 1 46 LYS 7 12 18 10 55.6 0.4 . 1 47 THR 4 31 30 14 46.7 -0.2 . 1 48 THR 4 19 14 10 71.4 1.3 >sigma 1 49 ASN 6 15 16 8 50.0 0.0 . 1 50 MET 6 22 16 9 56.3 0.4 . 1 51 ARG 7 14 15 10 66.7 1.0 >sigma 1 52 ARG 7 14 20 7 35.0 -0.8 . 1 53 LEU 7 41 40 20 50.0 0.0 . 1 54 SER 4 15 12 5 41.7 -0.4 . 1 55 VAL 5 17 34 12 35.3 -0.8 . 1 56 ASP 4 16 13 8 61.5 0.7 . 1 57 PRO 5 7 16 4 25.0 -1.4 >sigma 1 58 PRO 5 7 18 5 27.8 -1.3 >sigma 1 59 CYS 4 14 23 10 43.5 -0.3 . 1 60 GLY 3 6 13 6 46.2 -0.2 . 1 61 VAL 5 25 30 13 43.3 -0.3 . 1 62 LEU 7 40 57 20 35.1 -0.8 . 1 63 ASP 4 7 22 5 22.7 -1.6 >sigma 1 64 PRO 5 4 25 4 16.0 -2.0 >sigma 1 65 LYS 7 8 14 6 42.9 -0.4 . 1 66 GLU 5 12 23 8 34.8 -0.9 . 1 67 LYS 7 16 15 9 60.0 0.6 . 1 68 VAL 5 25 30 15 50.0 0.0 . 1 69 LEU 7 20 16 8 50.0 0.0 . 1 70 MET 6 38 45 20 44.4 -0.3 . 1 71 ALA 3 20 20 14 70.0 1.2 >sigma 1 72 VAL 5 21 36 15 41.7 -0.4 . 1 73 SER 4 16 15 8 53.3 0.2 . 1 74 CYS 4 12 13 8 61.5 0.7 . 1 75 ASP 4 6 12 4 33.3 -0.9 . 1 76 THR 4 24 20 13 65.0 0.9 . 1 77 PHE 7 41 32 25 78.1 1.7 >sigma 1 78 ASN 6 13 13 9 69.2 1.2 >sigma 1 79 ALA 3 29 29 18 62.1 0.8 . 1 80 ALA 3 21 11 9 81.8 1.9 >sigma 1 81 THR 4 18 10 8 80.0 1.8 >sigma 1 82 GLU 5 22 18 10 55.6 0.4 . 1 83 ASP 4 10 7 4 57.1 0.5 . 1 84 LEU 7 34 31 17 54.8 0.3 . 1 85 ASN 6 10 6 4 66.7 1.0 >sigma 1 86 ASN 6 13 9 6 66.7 1.0 >sigma 1 87 ASP 4 19 19 9 47.4 -0.1 . 1 88 ARG 7 18 20 9 45.0 -0.2 . 1 89 ILE 6 33 56 18 32.1 -1.0 >sigma 1 90 THR 4 21 25 14 56.0 0.4 . 1 91 ILE 6 41 57 25 43.9 -0.3 . 1 92 GLU 5 22 31 13 41.9 -0.4 . 1 93 TRP 10 51 74 35 47.3 -0.1 . 1 94 THR 4 32 36 18 50.0 0.0 . 1 95 ASN 6 19 18 14 77.8 1.7 >sigma 1 96 THR 4 41 30 24 80.0 1.8 >sigma 1 97 PRO 5 15 19 9 47.4 -0.1 . 1 98 ASP 4 7 5 4 80.0 1.8 >sigma 1 99 GLY 3 5 5 4 80.0 1.8 >sigma 1 100 ALA 3 17 18 11 61.1 0.7 . 1 101 ALA 3 7 9 5 55.6 0.4 . 1 102 LYS 7 5 5 4 80.0 1.8 >sigma 1 103 GLN 7 10 12 8 66.7 1.0 >sigma 1 104 PHE 7 21 39 14 35.9 -0.8 . 1 105 ARG 7 18 18 11 61.1 0.7 . 1 106 ARG 7 15 10 9 90.0 2.4 >sigma 1 107 GLU 5 18 15 12 80.0 1.8 >sigma 1 108 TRP 10 45 59 30 50.8 0.1 . 1 109 PHE 7 32 43 20 46.5 -0.2 . 1 110 GLN 7 12 11 8 72.7 1.4 >sigma 1 111 GLY 3 9 6 4 66.7 1.0 >sigma 1 112 ASP 4 6 4 3 75.0 1.5 >sigma 1 113 GLY 3 5 4 3 75.0 1.5 >sigma 1 114 MET 6 9 13 4 30.8 -1.1 >sigma 1 115 VAL 5 16 27 6 22.2 -1.6 >sigma 1 116 ARG 7 15 23 9 39.1 -0.6 . 1 117 ARG 7 16 24 8 33.3 -0.9 . 1 118 LYS 7 10 29 8 27.6 -1.3 >sigma 1 119 ASN 6 13 15 7 46.7 -0.2 . 1 120 LEU 7 32 42 15 35.7 -0.8 . 1 121 PRO 5 9 20 5 25.0 -1.4 >sigma 1 122 ILE 6 49 53 27 50.9 0.1 . 1 123 GLU 5 14 22 9 40.9 -0.5 . 1 124 TYR 6 23 40 14 35.0 -0.8 . 1 125 ASN 6 15 29 8 27.6 -1.3 >sigma 1 126 LEU 7 31 17 10 58.8 0.6 . 2 1 ALA 3 1 2 1 50.0 0.0 . 2 2 GLN 7 2 7 2 28.6 -1.2 >sigma 2 3 SER 4 4 10 3 30.0 -1.1 >sigma 2 4 VAL 5 9 10 5 50.0 0.0 . 2 5 PRO 5 5 11 4 36.4 -0.8 . 2 6 PRO 5 15 32 10 31.3 -1.1 >sigma 2 7 GLY 3 9 10 6 60.0 0.6 . 2 8 ASP 4 10 10 7 70.0 1.2 >sigma 2 9 ILE 6 50 53 29 54.7 0.3 . 2 10 ASN 6 18 18 12 66.7 1.0 >sigma 2 11 THR 4 23 31 16 51.6 0.1 . 2 12 GLN 7 10 31 8 25.8 -1.4 >sigma 2 13 PRO 5 18 32 11 34.4 -0.9 . 2 14 SER 4 10 11 5 45.5 -0.2 . 2 15 GLN 7 9 15 8 53.3 0.2 . 2 16 LYS 7 5 19 4 21.1 -1.7 >sigma 2 17 ILE 6 30 57 15 26.3 -1.4 >sigma 2 18 VAL 5 18 43 11 25.6 -1.4 >sigma 2 19 PHE 7 29 47 20 42.6 -0.4 . 2 20 ASN 6 5 19 3 15.8 -2.0 >sigma 2 21 ALA 3 28 27 15 55.6 0.4 . 2 22 PRO 5 13 23 6 26.1 -1.4 >sigma 2 23 TYR 6 33 37 20 54.1 0.3 . 2 24 ASP 4 16 12 8 66.7 1.0 >sigma 2 25 ASP 4 14 13 8 61.5 0.7 . 2 26 LYS 7 9 14 7 50.0 0.0 . 2 27 HIS 6 9 9 5 55.6 0.4 . 2 28 THR 4 11 13 8 61.5 0.7 . 2 29 TYR 6 18 28 9 32.1 -1.0 >sigma 2 30 HIS 6 14 13 9 69.2 1.2 >sigma 2 31 ILE 6 17 41 14 34.1 -0.9 . 2 32 LYS 7 14 27 6 22.2 -1.6 >sigma 2 33 ILE 6 51 52 25 48.1 -0.1 . 2 34 THR 4 31 31 16 51.6 0.1 . 2 35 ASN 6 18 47 10 21.3 -1.7 >sigma 2 36 ALA 3 20 18 12 66.7 1.0 >sigma 2 37 GLY 3 13 16 9 56.3 0.4 . 2 38 GLY 3 6 11 4 36.4 -0.8 . 2 39 ARG 7 11 15 5 33.3 -0.9 . 2 40 ARG 7 10 25 6 24.0 -1.5 >sigma 2 41 ILE 6 42 64 24 37.5 -0.7 . 2 42 GLY 3 16 26 14 53.8 0.3 . 2 43 TRP 10 46 62 25 40.3 -0.5 . 2 44 ALA 3 19 28 15 53.6 0.3 . 2 45 ILE 6 38 58 25 43.1 -0.4 . 2 46 LYS 7 12 18 10 55.6 0.4 . 2 47 THR 4 31 30 14 46.7 -0.2 . 2 48 THR 4 19 14 10 71.4 1.3 >sigma 2 49 ASN 6 15 16 8 50.0 0.0 . 2 50 MET 6 22 16 9 56.3 0.4 . 2 51 ARG 7 14 15 10 66.7 1.0 >sigma 2 52 ARG 7 14 20 7 35.0 -0.8 . 2 53 LEU 7 41 40 20 50.0 0.0 . 2 54 SER 4 15 12 5 41.7 -0.4 . 2 55 VAL 5 17 34 12 35.3 -0.8 . 2 56 ASP 4 16 13 8 61.5 0.7 . 2 57 PRO 5 7 16 4 25.0 -1.4 >sigma 2 58 PRO 5 7 18 5 27.8 -1.3 >sigma 2 59 CYS 4 14 23 10 43.5 -0.3 . 2 60 GLY 3 6 13 6 46.2 -0.2 . 2 61 VAL 5 25 30 13 43.3 -0.3 . 2 62 LEU 7 40 57 20 35.1 -0.8 . 2 63 ASP 4 7 22 5 22.7 -1.6 >sigma 2 64 PRO 5 4 25 4 16.0 -2.0 >sigma 2 65 LYS 7 8 14 6 42.9 -0.4 . 2 66 GLU 5 12 23 8 34.8 -0.9 . 2 67 LYS 7 16 15 9 60.0 0.6 . 2 68 VAL 5 25 30 15 50.0 0.0 . 2 69 LEU 7 20 16 8 50.0 0.0 . 2 70 MET 6 38 45 20 44.4 -0.3 . 2 71 ALA 3 20 20 14 70.0 1.2 >sigma 2 72 VAL 5 21 36 15 41.7 -0.4 . 2 73 SER 4 16 15 8 53.3 0.2 . 2 74 CYS 4 12 13 8 61.5 0.7 . 2 75 ASP 4 6 12 4 33.3 -0.9 . 2 76 THR 4 24 20 13 65.0 0.9 . 2 77 PHE 7 41 32 25 78.1 1.7 >sigma 2 78 ASN 6 13 13 9 69.2 1.2 >sigma 2 79 ALA 3 29 29 18 62.1 0.8 . 2 80 ALA 3 21 11 9 81.8 1.9 >sigma 2 81 THR 4 18 10 8 80.0 1.8 >sigma 2 82 GLU 5 22 18 10 55.6 0.4 . 2 83 ASP 4 10 7 4 57.1 0.5 . 2 84 LEU 7 34 31 17 54.8 0.3 . 2 85 ASN 6 10 6 4 66.7 1.0 >sigma 2 86 ASN 6 13 9 6 66.7 1.0 >sigma 2 87 ASP 4 19 19 9 47.4 -0.1 . 2 88 ARG 7 18 20 9 45.0 -0.2 . 2 89 ILE 6 33 56 18 32.1 -1.0 >sigma 2 90 THR 4 21 25 14 56.0 0.4 . 2 91 ILE 6 41 57 25 43.9 -0.3 . 2 92 GLU 5 22 31 13 41.9 -0.4 . 2 93 TRP 10 51 74 35 47.3 -0.1 . 2 94 THR 4 32 36 18 50.0 0.0 . 2 95 ASN 6 19 18 14 77.8 1.7 >sigma 2 96 THR 4 41 30 24 80.0 1.8 >sigma 2 97 PRO 5 15 19 9 47.4 -0.1 . 2 98 ASP 4 7 5 4 80.0 1.8 >sigma 2 99 GLY 3 5 5 4 80.0 1.8 >sigma 2 100 ALA 3 17 18 11 61.1 0.7 . 2 101 ALA 3 7 9 5 55.6 0.4 . 2 102 LYS 7 5 5 4 80.0 1.8 >sigma 2 103 GLN 7 10 12 8 66.7 1.0 >sigma 2 104 PHE 7 21 39 14 35.9 -0.8 . 2 105 ARG 7 18 18 11 61.1 0.7 . 2 106 ARG 7 15 10 9 90.0 2.4 >sigma 2 107 GLU 5 18 15 12 80.0 1.8 >sigma 2 108 TRP 10 45 59 30 50.8 0.1 . 2 109 PHE 7 32 43 20 46.5 -0.2 . 2 110 GLN 7 12 11 8 72.7 1.4 >sigma 2 111 GLY 3 9 6 4 66.7 1.0 >sigma 2 112 ASP 4 6 4 3 75.0 1.5 >sigma 2 113 GLY 3 5 4 3 75.0 1.5 >sigma 2 114 MET 6 9 13 4 30.8 -1.1 >sigma 2 115 VAL 5 16 27 6 22.2 -1.6 >sigma 2 116 ARG 7 15 23 9 39.1 -0.6 . 2 117 ARG 7 16 24 8 33.3 -0.9 . 2 118 LYS 7 10 29 8 27.6 -1.3 >sigma 2 119 ASN 6 13 15 7 46.7 -0.2 . 2 120 LEU 7 32 42 15 35.7 -0.8 . 2 121 PRO 5 9 20 5 25.0 -1.4 >sigma 2 122 ILE 6 49 53 27 50.9 0.1 . 2 123 GLU 5 14 22 9 40.9 -0.5 . 2 124 TYR 6 23 40 14 35.0 -0.8 . 2 125 ASN 6 15 29 8 27.6 -1.3 >sigma 2 126 LEU 7 31 18 11 61.1 0.7 . stop_ save_
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