NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
379755 | 1i4c | 5023 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i4c save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 159 _Distance_constraint_stats_list.Viol_count 20 _Distance_constraint_stats_list.Viol_total 92.759 _Distance_constraint_stats_list.Viol_max 17.116 _Distance_constraint_stats_list.Viol_rms 2.9474 _Distance_constraint_stats_list.Viol_average_all_restraints 0.5834 _Distance_constraint_stats_list.Viol_average_violations_only 4.6379 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 G 63.755 17.116 1 1 [+] 1 2 G 13.978 13.965 1 1 [+] 1 3 U 0.013 0.013 1 0 "[ ]" 1 4 G 0.011 0.011 1 0 "[ ]" 1 5 C 0.185 0.082 1 0 "[ ]" 1 6 U 0.166 0.099 1 0 "[ ]" 1 7 U 0.280 0.109 1 0 "[ ]" 1 8 A 0.216 0.109 1 0 "[ ]" 1 9 G 0.146 0.073 1 0 "[ ]" 1 10 C 0.182 0.096 1 0 "[ ]" 1 11 A 0.125 0.096 1 0 "[ ]" 1 12 C 0.011 0.011 1 0 "[ ]" 1 13 C 28.327 14.703 1 1 [+] stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 G H1 1 3 U H3 1.800 . 5.000 3.085 3.085 3.085 . 0 0 "[ ]" 1 2 1 3 U H3 1 4 G H1 1.800 . 5.000 4.883 4.883 4.883 . 0 0 "[ ]" 1 3 1 4 G H1 1 9 G H1 1.800 . 5.000 3.685 3.685 3.685 . 0 0 "[ ]" 1 4 1 2 G H1 1 12 C H41 1.800 . 5.000 2.592 2.592 2.592 . 0 0 "[ ]" 1 5 1 2 G H1 1 12 C H42 1.800 . 5.000 4.059 4.059 4.059 . 0 0 "[ ]" 1 6 1 3 U H3 1 11 A H2 . 2.800 3.000 2.810 2.810 2.810 . 0 0 "[ ]" 1 7 1 4 G H1 1 10 C H41 1.800 . 5.000 2.412 2.412 2.412 . 0 0 "[ ]" 1 8 1 4 G H1 1 10 C H42 1.800 . 5.000 3.872 3.872 3.872 . 0 0 "[ ]" 1 9 1 4 G H1 1 5 C H41 1.800 . 5.000 4.990 4.990 4.990 . 0 0 "[ ]" 1 10 1 9 G H1 1 10 C H41 1.800 . 5.000 3.774 3.774 3.774 . 0 0 "[ ]" 1 11 1 5 C H41 1 9 G H1 1.800 . 5.000 2.493 2.493 2.493 . 0 0 "[ ]" 1 12 1 5 C H42 1 9 G H1 1.800 . 5.000 3.904 3.904 3.904 . 0 0 "[ ]" 1 13 1 1 G H1' 1 1 G H2' 1.800 . 3.200 20.316 20.316 20.316 17.116 1 1 [+] 1 14 1 1 G H1' 1 1 G H8 2.500 2.500 5.000 21.227 21.227 21.227 16.227 1 1 [+] 1 15 1 1 G H2' 1 1 G H8 2.000 . 4.000 4.029 4.029 4.029 0.029 1 0 "[ ]" 1 16 1 1 G H3' 1 1 G H8 2.500 2.500 5.000 3.742 3.742 3.742 . 0 0 "[ ]" 1 17 1 1 G H8 1 2 G H8 3.000 3.000 7.000 6.158 6.158 6.158 . 0 0 "[ ]" 1 18 1 1 G H4' 1 1 G H8 2.500 2.500 5.000 21.418 21.418 21.418 16.418 1 1 [+] 1 19 1 2 G H1' 1 2 G H2' 1.800 . 3.200 2.762 2.762 2.762 . 0 0 "[ ]" 1 20 1 2 G H1' 1 3 U H5 3.000 3.000 7.000 5.959 5.959 5.959 . 0 0 "[ ]" 1 21 1 1 G H1' 1 2 G H8 2.500 2.500 5.000 18.965 18.965 18.965 13.965 1 1 [+] 1 22 1 2 G H1' 1 2 G H8 2.500 2.500 5.000 3.858 3.858 3.858 . 0 0 "[ ]" 1 23 1 1 G H2' 1 2 G H8 1.800 . 3.200 2.344 2.344 2.344 . 0 0 "[ ]" 1 24 1 1 G H3' 1 2 G H8 3.000 3.000 7.000 3.869 3.869 3.869 . 0 0 "[ ]" 1 25 1 2 G H3' 1 2 G H8 2.000 . 4.000 2.565 2.565 2.565 . 0 0 "[ ]" 1 26 1 2 G H8 1 3 U H6 3.000 3.000 7.000 5.176 5.176 5.176 . 0 0 "[ ]" 1 27 1 2 G H8 1 3 U H5 3.000 3.000 7.000 4.516 4.516 4.516 . 0 0 "[ ]" 1 28 1 2 G H4' 1 2 G H8 3.000 3.000 7.000 4.258 4.258 4.258 . 0 0 "[ ]" 1 29 1 3 U H1' 1 3 U H2' 1.800 . 3.200 2.773 2.773 2.773 . 0 0 "[ ]" 1 30 1 2 G H1' 1 3 U H6 2.500 2.500 5.000 5.013 5.013 5.013 0.013 1 0 "[ ]" 1 31 1 3 U H1' 1 3 U H6 2.500 2.500 5.000 3.648 3.648 3.648 . 0 0 "[ ]" 1 32 1 2 G H2' 1 3 U H6 1.800 . 3.200 2.343 2.343 2.343 . 0 0 "[ ]" 1 33 1 3 U H2' 1 3 U H6 2.000 . 4.000 3.582 3.582 3.582 . 0 0 "[ ]" 1 34 1 3 U H5 1 3 U H6 1.800 . 3.200 2.429 2.429 2.429 . 0 0 "[ ]" 1 35 1 3 U H6 1 4 G H8 3.000 3.000 7.000 4.060 4.060 4.060 . 0 0 "[ ]" 1 36 1 3 U H3' 1 3 U H6 2.000 . 4.000 2.361 2.361 2.361 . 0 0 "[ ]" 1 37 1 4 G H1' 1 4 G H2' 1.800 . 3.200 2.815 2.815 2.815 . 0 0 "[ ]" 1 38 1 4 G H1' 1 4 G H8 2.500 2.500 5.000 3.793 3.793 3.793 . 0 0 "[ ]" 1 39 1 3 U H1' 1 4 G H8 2.500 2.500 5.000 4.877 4.877 4.877 . 0 0 "[ ]" 1 40 1 3 U H2' 1 4 G H8 1.800 . 3.200 2.339 2.339 2.339 . 0 0 "[ ]" 1 41 1 3 U H3' 1 4 G H8 2.500 2.500 5.000 2.906 2.906 2.906 . 0 0 "[ ]" 1 42 1 4 G H2' 1 4 G H8 2.500 2.500 5.000 3.842 3.842 3.842 . 0 0 "[ ]" 1 43 1 4 G H3' 1 4 G H8 2.000 . 4.000 3.089 3.089 3.089 . 0 0 "[ ]" 1 44 1 4 G H8 1 5 C H6 3.000 3.000 7.000 4.362 4.362 4.362 . 0 0 "[ ]" 1 45 1 5 C H1' 1 5 C H2' 2.000 . 4.000 2.997 2.997 2.997 . 0 0 "[ ]" 1 46 1 4 G H2' 1 5 C H1' 3.000 3.000 7.000 3.249 3.249 3.249 . 0 0 "[ ]" 1 47 1 4 G H2' 1 5 C H5 2.500 2.500 5.000 4.107 4.107 4.107 . 0 0 "[ ]" 1 48 1 4 G H3' 1 5 C H5 2.500 2.500 5.000 3.640 3.640 3.640 . 0 0 "[ ]" 1 49 1 5 C H5 1 5 C H6 1.800 . 3.200 2.441 2.441 2.441 . 0 0 "[ ]" 1 50 1 4 G H2' 1 5 C H6 1.800 . 3.200 2.346 2.346 2.346 . 0 0 "[ ]" 1 51 1 5 C H2' 1 5 C H6 1.800 . 3.200 3.105 3.105 3.105 . 0 0 "[ ]" 1 52 1 4 G H1' 1 5 C H6 2.500 2.500 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1 53 1 4 G H3' 1 5 C H6 2.500 2.500 5.000 2.806 2.806 2.806 . 0 0 "[ ]" 1 54 1 5 C H3' 1 5 C H6 2.000 . 4.000 3.836 3.836 3.836 . 0 0 "[ ]" 1 55 1 5 C H1' 1 5 C H6 2.500 2.500 5.000 3.652 3.652 3.652 . 0 0 "[ ]" 1 56 1 5 C H6 1 6 U H6 3.000 3.000 7.000 5.961 5.961 5.961 . 0 0 "[ ]" 1 57 1 5 C H4' 1 5 C H6 2.500 2.500 5.000 4.324 4.324 4.324 . 0 0 "[ ]" 1 58 1 6 U H1' 1 6 U H2' 2.000 . 4.000 3.052 3.052 3.052 . 0 0 "[ ]" 1 59 1 5 C H1' 1 6 U H6 2.500 2.500 5.000 2.827 2.827 2.827 . 0 0 "[ ]" 1 60 1 5 C H2' 1 6 U H6 2.000 . 4.000 4.068 4.068 4.068 0.068 1 0 "[ ]" 1 61 1 5 C H3' 1 6 U H6 2.500 2.500 5.000 4.168 4.168 4.168 . 0 0 "[ ]" 1 62 1 6 U H5 1 6 U H6 1.800 . 3.200 2.434 2.434 2.434 . 0 0 "[ ]" 1 63 1 6 U H2' 1 6 U H6 1.800 . 3.200 2.358 2.358 2.358 . 0 0 "[ ]" 1 64 1 6 U H3' 1 6 U H6 2.500 2.500 5.000 4.220 4.220 4.220 . 0 0 "[ ]" 1 65 1 6 U H1' 1 6 U H6 2.500 2.500 5.000 3.735 3.735 3.735 . 0 0 "[ ]" 1 66 1 6 U H4' 1 6 U H6 2.500 2.500 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 1 67 1 6 U H2' 1 6 U H5 2.500 2.500 5.000 4.410 4.410 4.410 . 0 0 "[ ]" 1 68 1 6 U H3' 1 6 U H5 3.000 3.000 7.000 6.577 6.577 6.577 . 0 0 "[ ]" 1 69 1 7 U H1' 1 7 U H2' 2.500 2.500 5.000 3.043 3.043 3.043 . 0 0 "[ ]" 1 70 1 7 U H1' 1 7 U H3' 2.500 2.500 5.000 3.910 3.910 3.910 . 0 0 "[ ]" 1 71 1 7 U H1' 1 7 U H4' 2.500 2.500 5.000 3.537 3.537 3.537 . 0 0 "[ ]" 1 72 1 7 U H5 1 7 U H6 1.800 . 3.200 2.418 2.418 2.418 . 0 0 "[ ]" 1 73 1 7 U H2' 1 7 U H6 1.800 . 3.200 2.309 2.309 2.309 . 0 0 "[ ]" 1 74 1 7 U H1' 1 7 U H6 2.500 2.500 5.000 3.729 3.729 3.729 . 0 0 "[ ]" 1 75 1 6 U H1' 1 7 U H6 3.000 3.000 7.000 5.103 5.103 5.103 . 0 0 "[ ]" 1 76 1 6 U H2' 1 7 U H6 3.000 3.000 7.000 6.002 6.002 6.002 . 0 0 "[ ]" 1 77 1 6 U H3' 1 7 U H6 3.000 3.000 7.000 4.696 4.696 4.696 . 0 0 "[ ]" 1 78 1 6 U H4' 1 7 U H5 2.500 2.500 5.000 5.099 5.099 5.099 0.099 1 0 "[ ]" 1 79 1 7 U H2' 1 7 U H5 2.500 2.500 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 1 80 1 7 U H3' 1 7 U H6 2.500 2.500 5.000 4.024 4.024 4.024 . 0 0 "[ ]" 1 81 1 7 U H4' 1 7 U H6 2.500 2.500 5.000 4.205 4.205 4.205 . 0 0 "[ ]" 1 82 1 7 U H5' 1 7 U H6 3.000 3.000 7.000 3.690 3.690 3.690 . 0 0 "[ ]" 1 83 1 8 A H1' 1 8 A H2' 2.000 . 4.000 2.989 2.989 2.989 . 0 0 "[ ]" 1 84 1 8 A H1' 1 8 A H8 2.500 2.500 5.000 3.918 3.918 3.918 . 0 0 "[ ]" 1 85 1 8 A H2' 1 8 A H8 2.000 . 4.000 2.252 2.252 2.252 . 0 0 "[ ]" 1 86 1 8 A H3' 1 8 A H8 2.000 . 4.000 3.622 3.622 3.622 . 0 0 "[ ]" 1 87 1 8 A H5'' 1 8 A H8 3.000 3.000 7.000 5.383 5.383 5.383 . 0 0 "[ ]" 1 88 1 8 A H5' 1 8 A H8 3.000 3.000 7.000 5.816 5.816 5.816 . 0 0 "[ ]" 1 89 1 8 A H4' 1 8 A H8 3.000 3.000 7.000 5.120 5.120 5.120 . 0 0 "[ ]" 1 90 1 7 U H4' 1 8 A H8 3.000 3.000 7.000 6.262 6.262 6.262 . 0 0 "[ ]" 1 91 1 7 U H3' 1 8 A H2 2.500 2.500 5.000 4.786 4.786 4.786 . 0 0 "[ ]" 1 92 1 6 U H3' 1 8 A H2 2.500 2.500 5.000 2.685 2.685 2.685 . 0 0 "[ ]" 1 93 1 7 U H4' 1 8 A H2 2.500 2.500 5.000 5.109 5.109 5.109 0.109 1 0 "[ ]" 1 94 1 7 U H5' 1 8 A H2 2.000 . 4.000 3.190 3.190 3.190 . 0 0 "[ ]" 1 95 1 5 C H1' 1 8 A H2 2.500 2.500 5.000 5.082 5.082 5.082 0.082 1 0 "[ ]" 1 96 1 5 C H2' 1 8 A H2 2.000 . 4.000 4.024 4.024 4.024 0.024 1 0 "[ ]" 1 97 1 8 A H1' 1 8 A H2 3.000 3.000 7.000 4.485 4.485 4.485 . 0 0 "[ ]" 1 98 1 9 G H1' 1 9 G H2' 2.500 2.500 5.000 3.049 3.049 3.049 . 0 0 "[ ]" 1 99 1 9 G H1' 1 9 G H3' 3.000 3.000 7.000 3.892 3.892 3.892 . 0 0 "[ ]" 1 100 1 9 G H1' 1 9 G H4' 2.500 2.500 5.000 3.348 3.348 3.348 . 0 0 "[ ]" 1 101 1 8 A H2' 1 9 G H1' 3.000 3.000 7.000 6.913 6.913 6.913 . 0 0 "[ ]" 1 102 1 7 U H1' 1 9 G H1' 3.000 3.000 7.000 6.368 6.368 6.368 . 0 0 "[ ]" 1 103 1 7 U H5 1 9 G H1' 2.500 2.500 5.000 5.072 5.072 5.072 0.072 1 0 "[ ]" 1 104 1 9 G H1' 1 9 G H8 2.500 2.500 5.000 3.931 3.931 3.931 . 0 0 "[ ]" 1 105 1 9 G H2' 1 9 G H8 2.000 . 4.000 2.240 2.240 2.240 . 0 0 "[ ]" 1 106 1 9 G H3' 1 9 G H8 2.500 2.500 5.000 4.358 4.358 4.358 . 0 0 "[ ]" 1 107 1 9 G H4' 1 9 G H8 3.000 3.000 7.000 5.022 5.022 5.022 . 0 0 "[ ]" 1 108 1 9 G H8 1 10 C H5 3.000 3.000 7.000 3.916 3.916 3.916 . 0 0 "[ ]" 1 109 1 9 G H8 1 10 C H6 3.000 3.000 7.000 5.565 5.565 5.565 . 0 0 "[ ]" 1 110 1 9 G H5' 1 9 G H8 2.500 2.500 5.000 4.913 4.913 4.913 . 0 0 "[ ]" 1 111 1 9 G H5'' 1 9 G H8 2.500 2.500 5.000 3.229 3.229 3.229 . 0 0 "[ ]" 1 112 1 8 A H4' 1 9 G H8 3.000 3.000 7.000 4.499 4.499 4.499 . 0 0 "[ ]" 1 113 1 10 C H1' 1 10 C H2' 1.800 . 3.200 2.792 2.792 2.792 . 0 0 "[ ]" 1 114 1 10 C H1' 1 10 C H5 3.000 3.000 7.000 5.411 5.411 5.411 . 0 0 "[ ]" 1 115 1 9 G H2' 1 10 C H5 3.000 3.000 7.000 3.004 3.004 3.004 . 0 0 "[ ]" 1 116 1 10 C H5 1 11 A H2' 3.000 3.000 7.000 7.096 7.096 7.096 0.096 1 0 "[ ]" 1 117 1 10 C H5 1 10 C H6 1.800 . 3.200 2.439 2.439 2.439 . 0 0 "[ ]" 1 118 1 9 G H1' 1 10 C H6 2.500 2.500 5.000 2.535 2.535 2.535 . 0 0 "[ ]" 1 119 1 9 G H2' 1 10 C H6 2.500 2.500 5.000 4.101 4.101 4.101 . 0 0 "[ ]" 1 120 1 9 G H4' 1 10 C H6 2.500 2.500 5.000 5.073 5.073 5.073 0.073 1 0 "[ ]" 1 121 1 9 G H5' 1 10 C H6 3.000 3.000 7.000 6.784 6.784 6.784 . 0 0 "[ ]" 1 122 1 9 G H5'' 1 10 C H6 3.000 3.000 7.000 6.223 6.223 6.223 . 0 0 "[ ]" 1 123 1 10 C H1' 1 10 C H6 2.500 2.500 5.000 3.678 3.678 3.678 . 0 0 "[ ]" 1 124 1 10 C H2' 1 10 C H6 2.000 . 4.000 3.457 3.457 3.457 . 0 0 "[ ]" 1 125 1 10 C H3' 1 10 C H6 2.000 . 4.000 2.396 2.396 2.396 . 0 0 "[ ]" 1 126 1 11 A H1' 1 11 A H2' 1.800 . 3.200 2.829 2.829 2.829 . 0 0 "[ ]" 1 127 1 11 A H1' 1 12 C H5 3.000 3.000 7.000 5.855 5.855 5.855 . 0 0 "[ ]" 1 128 1 11 A H1' 1 11 A H8 2.500 2.500 5.000 3.905 3.905 3.905 . 0 0 "[ ]" 1 129 1 11 A H2' 1 11 A H8 1.800 . 3.200 3.217 3.217 3.217 0.017 1 0 "[ ]" 1 130 1 11 A H3' 1 11 A H8 2.000 . 4.000 2.650 2.650 2.650 . 0 0 "[ ]" 1 131 1 11 A H4' 1 11 A H8 3.000 3.000 7.000 4.531 4.531 4.531 . 0 0 "[ ]" 1 132 1 10 C H1' 1 11 A H8 2.500 2.500 5.000 5.012 5.012 5.012 0.012 1 0 "[ ]" 1 133 1 10 C H2' 1 11 A H8 1.800 . 3.200 2.637 2.637 2.637 . 0 0 "[ ]" 1 134 1 10 C H6 1 11 A H8 3.000 3.000 7.000 3.978 3.978 3.978 . 0 0 "[ ]" 1 135 1 4 G H1' 1 11 A H2 2.500 2.500 5.000 3.760 3.760 3.760 . 0 0 "[ ]" 1 136 1 4 G H3' 1 11 A H2 3.000 3.000 7.000 6.998 6.998 6.998 . 0 0 "[ ]" 1 137 1 4 G H4' 1 11 A H2 3.000 3.000 7.000 6.687 6.687 6.687 . 0 0 "[ ]" 1 138 1 11 A H2 1 12 C H1' 2.500 2.500 5.000 4.427 4.427 4.427 . 0 0 "[ ]" 1 139 1 11 A H2 1 12 C H2' 3.000 3.000 7.000 6.727 6.727 6.727 . 0 0 "[ ]" 1 140 1 11 A H1' 1 11 A H2 3.000 3.000 7.000 4.464 4.464 4.464 . 0 0 "[ ]" 1 141 1 12 C H1' 1 12 C H2' 1.800 . 3.200 2.814 2.814 2.814 . 0 0 "[ ]" 1 142 1 12 C H5 1 12 C H6 1.800 . 3.200 2.440 2.440 2.440 . 0 0 "[ ]" 1 143 1 11 A H8 1 12 C H6 3.000 3.000 7.000 5.056 5.056 5.056 . 0 0 "[ ]" 1 144 1 11 A H1' 1 12 C H6 2.500 2.500 5.000 4.901 4.901 4.901 . 0 0 "[ ]" 1 145 1 11 A H2' 1 12 C H6 1.800 . 3.200 2.381 2.381 2.381 . 0 0 "[ ]" 1 146 1 12 C H1' 1 12 C H6 2.500 2.500 5.000 3.682 3.682 3.682 . 0 0 "[ ]" 1 147 1 12 C H2' 1 12 C H6 2.500 2.500 5.000 3.356 3.356 3.356 . 0 0 "[ ]" 1 148 1 12 C H3' 1 12 C H6 2.000 . 4.000 2.406 2.406 2.406 . 0 0 "[ ]" 1 149 1 12 C H4' 1 12 C H6 3.000 3.000 7.000 4.058 4.058 4.058 . 0 0 "[ ]" 1 150 1 13 C H5 1 13 C H6 1.800 . 3.200 2.440 2.440 2.440 . 0 0 "[ ]" 1 151 1 12 C H6 1 13 C H6 3.000 3.000 7.000 4.086 4.086 4.086 . 0 0 "[ ]" 1 152 1 13 C H1' 1 13 C H2' 1.800 . 3.200 17.903 17.903 17.903 14.703 1 1 [+] 1 153 1 12 C H2' 1 13 C H6 1.800 . 3.200 2.332 2.332 2.332 . 0 0 "[ ]" 1 154 1 12 C H1' 1 13 C H6 2.500 2.500 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1 155 1 13 C H1' 1 13 C H6 2.500 2.500 5.000 3.637 3.637 3.637 . 0 0 "[ ]" 1 156 1 13 C H2' 1 13 C H6 2.000 . 4.000 17.613 17.613 17.613 13.613 1 1 [+] 1 157 1 13 C H3' 1 13 C H6 2.000 . 4.000 2.815 2.815 2.815 . 0 0 "[ ]" 1 158 1 12 C H3' 1 13 C H6 2.500 2.500 5.000 3.183 3.183 3.183 . 0 0 "[ ]" 1 159 1 13 C H4' 1 13 C H6 3.000 3.000 7.000 4.191 4.191 4.191 . 0 0 "[ ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 19 _Distance_constraint_stats_list.Viol_count 10 _Distance_constraint_stats_list.Viol_total 0.200 _Distance_constraint_stats_list.Viol_max 0.032 _Distance_constraint_stats_list.Viol_rms 0.0125 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0105 _Distance_constraint_stats_list.Viol_average_violations_only 0.0200 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 G 0.010 0.010 1 0 "[ ]" 1 2 G 0.012 0.012 1 0 "[ ]" 1 3 U 0.020 0.020 1 0 "[ ]" 1 4 G 0.097 0.029 1 0 "[ ]" 1 5 C 0.061 0.032 1 0 "[ ]" 1 9 G 0.061 0.032 1 0 "[ ]" 1 10 C 0.097 0.029 1 0 "[ ]" 1 11 A 0.020 0.020 1 0 "[ ]" 1 12 C 0.012 0.012 1 0 "[ ]" 1 13 C 0.010 0.010 1 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 G O6 1 13 C H41 1.700 . 1.800 1.754 1.754 1.754 . 0 0 "[ ]" 2 2 1 1 G H21 1 13 C N3 3.000 2.900 3.100 3.012 3.012 3.012 . 0 0 "[ ]" 2 3 1 1 G H21 1 13 C O2 2.000 . 2.100 1.890 1.890 1.890 0.010 1 0 "[ ]" 2 4 1 1 G H1 1 13 C N3 1.900 . 2.000 1.853 1.853 1.853 . 0 0 "[ ]" 2 5 1 2 G O6 1 12 C H41 1.700 . 1.800 1.760 1.760 1.760 . 0 0 "[ ]" 2 6 1 2 G H21 1 12 C N3 3.000 2.900 3.100 3.062 3.062 3.062 . 0 0 "[ ]" 2 7 1 2 G H21 1 12 C O2 2.000 . 2.100 2.112 2.112 2.112 0.012 1 0 "[ ]" 2 8 1 2 G H1 1 12 C N3 1.900 . 2.000 1.869 1.869 1.869 . 0 0 "[ ]" 2 9 1 3 U O2 1 11 A H2 3.200 3.100 3.300 3.276 3.276 3.276 . 0 0 "[ ]" 2 10 1 3 U H3 1 11 A N1 1.900 . 2.000 1.836 1.836 1.836 . 0 0 "[ ]" 2 11 1 3 U O4 1 11 A H61 1.800 . 1.900 1.680 1.680 1.680 0.020 1 0 "[ ]" 2 12 1 4 G O6 1 10 C H41 1.700 . 1.800 1.821 1.821 1.821 0.021 1 0 "[ ]" 2 13 1 4 G H21 1 10 C N3 3.000 2.900 3.100 2.878 2.878 2.878 0.022 1 0 "[ ]" 2 14 1 4 G H21 1 10 C O2 2.000 . 2.100 2.129 2.129 2.129 0.029 1 0 "[ ]" 2 15 1 4 G H1 1 10 C N3 1.900 . 2.000 1.774 1.774 1.774 0.026 1 0 "[ ]" 2 16 1 5 C H41 1 9 G O6 1.700 . 1.800 1.802 1.802 1.802 0.002 1 0 "[ ]" 2 17 1 5 C N3 1 9 G H21 3.000 2.900 3.100 2.868 2.868 2.868 0.032 1 0 "[ ]" 2 18 1 5 C O2 1 9 G H21 2.000 . 2.100 1.908 1.908 1.908 . 0 0 "[ ]" 2 19 1 5 C N3 1 9 G H1 1.900 . 2.000 1.773 1.773 1.773 0.027 1 0 "[ ]" 2 stop_ save_
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