Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556162 | 2m0r RC | 18818 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2m0r
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 180
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 0
_Stereo_assign_list.Deassign_percentage 0.0
_Stereo_assign_list.Model_count 30
_Stereo_assign_list.Total_e_low_states 0.185
_Stereo_assign_list.Total_e_high_states 177.792
_Stereo_assign_list.Crit_abs_e_diff 0.100
_Stereo_assign_list.Crit_rel_e_diff 0.000
_Stereo_assign_list.Crit_mdls_favor_pct 75.0
_Stereo_assign_list.Crit_sing_mdl_viol 1.000
_Stereo_assign_list.Crit_multi_mdl_viol 0.500
_Stereo_assign_list.Crit_multi_mdl_pct 50.0
_Stereo_assign_list.Details
;
Description of the tags in this list:
* 1 * NMR-STAR 3 administrative tag
* 2 * NMR-STAR 3 administrative tag
* 3 * NMR-STAR 3 administrative tag
* 4 * Number of triplets (atom-group pair and pseudo)
* 5 * Number of triplets that were swapped
* 6 * Percentage of triplets that were swapped
* 7 * Number of deassigned triplets
* 8 * Percentage of deassigned triplets
* 9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag
Description of the tags in the table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Name of pseudoatom representing the triplet
* 5 * Ordinal number of assignment (1 is assigned first)
* 6 * 'yes' if assignment state is swapped with respect to restraint file
* 7 * Percentage of models in which the assignment with the lowest
overall energy is favoured
* 8 * Percentage of difference between lowest and highest overall energy
with respect to the highest overall energy
* 9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;
loop_
_Stereo_assign.Entity_assembly_ID
_Stereo_assign.Comp_index_ID
_Stereo_assign.Comp_ID
_Stereo_assign.Pseudo_Atom_ID
_Stereo_assign.Num
_Stereo_assign.Swapped
_Stereo_assign.Models_favoring_pct
_Stereo_assign.Energy_difference_pct
_Stereo_assign.Energy_difference
_Stereo_assign.Energy_high_state
_Stereo_assign.Energy_low_state
_Stereo_assign.Constraint_count
_Stereo_assign.Constraint_ambi_count
_Stereo_assign.Deassigned
_Stereo_assign.Violation_max
_Stereo_assign.Single_mdl_crit_count
_Stereo_assign.Multi_mdl_crit_count
1 8 ASN QD 162 no 100.0 100.0 0.001 0.001 0.000 2 0 no 0.078 0 0
1 10 GLU QB 180 no 10.0 100.0 0.009 0.009 0.000 1 0 no 0.000 0 0
1 13 GLN QB 140 no 63.3 77.7 0.004 0.006 0.001 3 1 no 0.055 0 0
1 13 GLN QG 139 no 46.7 97.4 0.043 0.044 0.001 3 1 no 0.058 0 0
1 14 GLU QB 90 no 23.3 95.5 0.002 0.003 0.000 5 0 no 0.049 0 0
1 14 GLU QG 60 no 83.3 100.0 0.217 0.217 0.000 6 0 no 0.011 0 0
1 15 PHE QB 96 no 100.0 100.0 0.001 0.001 0.000 5 1 no 0.068 0 0
1 17 ASP QB 59 no 53.3 98.7 0.016 0.016 0.000 6 0 no 0.050 0 0
1 18 VAL QG 4 no 100.0 99.9 4.857 4.860 0.003 20 12 no 0.090 0 0
1 19 GLU QB 100 no 100.0 92.0 0.001 0.001 0.000 5 2 no 0.090 0 0
1 20 ARG QD 89 no 40.0 99.5 0.045 0.045 0.000 5 0 no 0.061 0 0
1 20 ARG QG 110 no 83.3 99.6 0.182 0.182 0.001 4 0 no 0.108 0 0
1 23 GLU QG 58 no 100.0 99.1 1.353 1.365 0.012 6 0 no 0.185 0 0
1 25 LEU QD 2 no 100.0 99.8 6.446 6.458 0.012 25 1 no 0.144 0 0
1 26 ILE QG 109 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 27 LYS QG 57 no 100.0 99.9 0.896 0.897 0.001 6 0 no 0.049 0 0
1 28 ASN QB 16 no 100.0 99.8 0.885 0.887 0.002 14 7 no 0.094 0 0
1 28 ASN QD 72 no 96.7 99.8 0.078 0.079 0.000 6 2 no 0.032 0 0
1 29 PHE QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 GLN QE 179 no 50.0 100.0 0.357 0.357 0.000 1 0 no 0.021 0 0
1 32 TYR QB 116 no 10.0 84.4 0.000 0.000 0.000 4 4 no 0.020 0 0
1 34 VAL QG 88 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 35 GLU QB 87 no 6.7 99.1 0.001 0.001 0.000 5 0 no 0.010 0 0
1 38 LYS QD 108 no 36.7 90.3 0.003 0.004 0.000 4 0 no 0.044 0 0
1 38 LYS QG 86 no 76.7 99.9 0.959 0.960 0.001 5 0 no 0.048 0 0
1 39 GLU QB 160 no 6.7 90.1 0.004 0.004 0.000 2 0 no 0.065 0 0
1 41 LEU QB 130 no 16.7 100.0 0.072 0.072 0.000 3 0 no 0.000 0 0
1 41 LEU QD 6 no 100.0 100.0 5.513 5.514 0.000 19 3 no 0.041 0 0
1 43 PRO QB 85 no 100.0 100.0 0.000 0.000 0.000 5 0 no 0.052 0 0
1 43 PRO QD 99 no 63.3 98.8 0.064 0.065 0.001 5 2 no 0.046 0 0
1 43 PRO QG 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 45 GLU QG 56 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.047 0 0
1 46 LEU QB 48 no 100.0 100.0 0.489 0.489 0.000 7 4 no 0.009 0 0
1 46 LEU QD 12 no 100.0 99.9 2.663 2.664 0.002 16 7 no 0.072 0 0
1 47 ARG QB 42 no 90.0 99.3 0.049 0.049 0.000 7 1 no 0.088 0 0
1 47 ARG QD 71 no 100.0 99.9 1.830 1.831 0.001 6 2 no 0.090 0 0
1 48 ASP QB 55 no 93.3 100.0 0.219 0.219 0.000 6 0 no 0.000 0 0
1 49 LEU QB 22 no 100.0 99.9 2.892 2.895 0.003 12 4 no 0.087 0 0
1 49 LEU QD 10 no 100.0 100.0 3.379 3.379 0.000 17 7 no 0.030 0 0
1 50 VAL QG 40 no 86.7 73.2 0.001 0.001 0.000 7 0 no 0.074 0 0
1 52 GLN QB 158 no 3.3 62.6 0.000 0.000 0.000 2 0 no 0.052 0 0
1 52 GLN QG 84 no 100.0 66.0 0.000 0.000 0.000 5 0 no 0.072 0 0
1 53 GLN QB 112 no 100.0 99.9 1.710 1.711 0.001 4 2 no 0.077 0 0
1 53 GLN QE 170 no 100.0 100.0 0.001 0.001 0.000 2 2 no 0.077 0 0
1 53 GLN QG 38 no 100.0 99.9 1.060 1.061 0.001 8 5 no 0.059 0 0
1 54 LEU QB 74 no 100.0 100.0 0.000 0.000 0.000 6 4 no 0.004 0 0
1 54 LEU QD 18 no 100.0 99.6 0.103 0.103 0.000 13 4 no 0.040 0 0
1 56 HIS QB 95 no 23.3 96.3 0.046 0.047 0.002 5 1 no 0.058 0 0
1 57 LEU QD 20 no 100.0 100.0 4.287 4.287 0.000 12 2 no 0.042 0 0
1 58 MET QB 166 no 33.3 98.1 0.013 0.013 0.000 2 1 no 0.050 0 0
1 59 PRO QB 169 no 90.0 98.5 0.071 0.072 0.001 2 2 no 0.057 0 0
1 59 PRO QD 138 no 33.3 99.9 0.015 0.015 0.000 3 1 no 0.017 0 0
1 60 SER QB 144 no 100.0 100.0 3.274 3.276 0.002 3 2 no 0.057 0 0
1 62 CYS QB 165 no 100.0 99.9 2.564 2.567 0.002 2 1 no 0.086 0 0
1 64 LEU QB 36 no 86.7 100.0 0.797 0.797 0.000 8 3 no 0.017 0 0
1 64 LEU QD 14 no 100.0 99.9 2.228 2.229 0.002 14 4 no 0.094 0 0
1 65 GLU QB 129 no 100.0 100.0 3.125 3.125 0.001 3 0 no 0.061 0 0
1 66 GLU QB 66 no 100.0 99.9 1.560 1.562 0.002 6 1 no 0.070 0 0
1 67 LYS QB 26 no 100.0 99.9 6.175 6.184 0.009 11 5 no 0.139 0 0
1 67 LYS QD 34 no 100.0 100.0 1.681 1.681 0.000 9 5 no 0.042 0 0
1 67 LYS QG 65 no 6.7 90.1 0.001 0.001 0.000 6 1 no 0.029 0 0
1 68 ILE QG 44 no 100.0 99.9 0.802 0.804 0.001 7 2 no 0.072 0 0
1 70 ASN QB 94 no 90.0 100.0 0.312 0.312 0.000 5 1 no 0.008 0 0
1 70 ASN QD 128 no 3.3 82.4 0.001 0.001 0.000 3 0 no 0.079 0 0
1 71 LEU QB 47 no 10.0 99.3 0.032 0.032 0.000 7 4 no 0.048 0 0
1 71 LEU QD 28 no 100.0 99.8 1.297 1.300 0.003 10 4 no 0.066 0 0
1 77 SER QB 178 no 3.3 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 78 LYS QG 127 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 79 LEU QB 102 no 26.7 99.9 0.614 0.615 0.001 5 3 no 0.093 0 0
1 79 LEU QD 70 no 86.7 100.0 1.832 1.832 0.000 6 2 no 0.048 0 0
1 80 GLU QB 157 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.087 0 0
1 81 PHE QB 156 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.010 0 0
1 82 ARG QB 126 no 80.0 100.0 1.047 1.047 0.000 3 0 no 0.053 0 0
1 82 ARG QD 177 no 60.0 99.1 0.233 0.235 0.002 1 0 no 0.114 0 0
1 83 SER QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 TRP QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 GLU QB 64 no 40.0 99.6 0.253 0.254 0.001 6 1 no 0.092 0 0
1 87 LEU QD 8 no 100.0 100.0 11.951 11.953 0.002 17 4 no 0.063 0 0
1 88 ILE QG 24 no 100.0 99.8 3.586 3.592 0.006 11 1 no 0.144 0 0
1 89 GLY QA 176 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 90 GLU QB 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 93 LYS QB 83 no 46.7 99.6 0.026 0.026 0.000 5 0 no 0.050 0 0
1 93 LYS QG 125 no 3.3 100.0 0.015 0.015 0.000 3 0 no 0.010 0 0
1 94 SER QB 137 no 23.3 100.0 0.108 0.108 0.000 3 1 no 0.008 0 0
1 95 VAL QG 30 no 100.0 100.0 1.848 1.848 0.000 9 0 no 0.033 0 0
1 96 LYS QG 124 no 80.0 99.8 0.582 0.583 0.001 3 0 no 0.078 0 0
1 97 LEU QB 114 no 6.7 100.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 97 LEU QD 32 no 96.7 99.9 2.242 2.244 0.002 9 4 no 0.131 0 0
1 99 ARG QB 136 no 83.3 99.5 0.176 0.176 0.001 3 1 no 0.116 0 0
1 99 ARG QD 143 no 93.3 99.8 0.583 0.584 0.001 3 2 no 0.116 0 0
2 8 ASN QD 153 no 100.0 94.6 0.001 0.001 0.000 2 0 no 0.081 0 0
2 10 GLU QB 175 no 20.0 100.0 0.010 0.010 0.000 1 0 no 0.000 0 0
2 13 GLN QB 135 no 53.3 60.4 0.003 0.004 0.002 3 1 no 0.078 0 0
2 13 GLN QG 134 no 43.3 97.7 0.057 0.059 0.001 3 1 no 0.052 0 0
2 14 GLU QB 82 no 33.3 98.8 0.004 0.004 0.000 5 0 no 0.027 0 0
2 14 GLU QG 54 no 73.3 99.8 0.205 0.205 0.000 6 0 no 0.059 0 0
2 15 PHE QB 93 no 100.0 100.0 0.002 0.002 0.000 5 1 no 0.106 0 0
2 17 ASP QB 53 no 40.0 99.2 0.012 0.012 0.000 6 0 no 0.030 0 0
2 18 VAL QG 3 no 100.0 100.0 4.939 4.941 0.002 20 12 no 0.056 0 0
2 19 GLU QB 98 no 100.0 100.0 0.001 0.001 0.000 5 2 no 0.056 0 0
2 20 ARG QD 81 no 46.7 99.7 0.047 0.047 0.000 5 0 no 0.047 0 0
2 20 ARG QG 106 no 83.3 99.2 0.163 0.164 0.001 4 0 no 0.126 0 0
2 23 GLU QG 52 no 100.0 98.9 1.264 1.278 0.014 6 0 no 0.203 0 0
2 25 LEU QD 1 no 100.0 99.8 5.901 5.914 0.013 25 1 no 0.122 0 0
2 26 ILE QG 105 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.025 0 0
2 27 LYS QG 51 no 100.0 99.9 0.673 0.673 0.001 6 0 no 0.048 0 0
2 28 ASN QB 15 no 100.0 99.8 1.106 1.108 0.002 14 7 no 0.097 0 0
2 28 ASN QD 69 no 93.3 99.8 0.085 0.085 0.000 6 2 no 0.041 0 0
2 29 PHE QB 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 31 GLN QE 174 no 46.7 100.0 0.370 0.370 0.000 1 0 no 0.016 0 0
2 32 TYR QB 115 no 16.7 90.4 0.001 0.001 0.000 4 4 no 0.022 0 0
2 34 VAL QG 80 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
2 35 GLU QB 79 no 10.0 97.5 0.001 0.001 0.000 5 0 no 0.028 0 0
2 38 LYS QD 104 no 46.7 85.6 0.003 0.004 0.001 4 0 no 0.054 0 0
2 38 LYS QG 78 no 83.3 100.0 0.956 0.957 0.000 5 0 no 0.064 0 0
2 39 GLU QB 151 no 6.7 83.8 0.004 0.004 0.001 2 0 no 0.077 0 0
2 41 LEU QB 123 no 23.3 100.0 0.115 0.115 0.000 3 0 no 0.034 0 0
2 41 LEU QD 5 no 100.0 100.0 5.777 5.778 0.001 19 3 no 0.094 0 0
2 43 PRO QB 77 no 100.0 100.0 0.000 0.000 0.000 5 0 no 0.038 0 0
2 43 PRO QD 97 no 53.3 99.0 0.072 0.072 0.001 5 2 no 0.047 0 0
2 43 PRO QG 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 45 GLU QG 50 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 46 LEU QB 46 no 100.0 100.0 0.476 0.476 0.000 7 4 no 0.023 0 0
2 46 LEU QD 11 no 100.0 99.9 2.578 2.580 0.002 16 7 no 0.066 0 0
2 47 ARG QB 41 no 90.0 99.7 0.060 0.060 0.000 7 1 no 0.042 0 0
2 47 ARG QD 68 no 100.0 100.0 1.755 1.756 0.001 6 2 no 0.080 0 0
2 48 ASP QB 49 no 86.7 100.0 0.238 0.238 0.000 6 0 no 0.000 0 0
2 49 LEU QB 21 no 100.0 99.8 2.887 2.892 0.004 12 4 no 0.111 0 0
2 49 LEU QD 9 no 100.0 100.0 3.545 3.545 0.000 17 7 no 0.038 0 0
2 50 VAL QG 39 no 83.3 19.9 0.000 0.001 0.001 7 0 no 0.051 0 0
2 52 GLN QB 149 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.039 0 0
2 52 GLN QG 76 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
2 53 GLN QB 111 no 100.0 100.0 1.741 1.742 0.001 4 2 no 0.089 0 0
2 53 GLN QE 168 no 100.0 100.0 0.000 0.000 0.000 2 2 no 0.089 0 0
2 53 GLN QG 37 no 96.7 99.9 0.881 0.882 0.001 8 5 no 0.055 0 0
2 54 LEU QB 73 no 100.0 100.0 0.000 0.000 0.000 6 4 no 0.031 0 0
2 54 LEU QD 17 no 93.3 99.7 0.128 0.128 0.000 13 4 no 0.040 0 0
2 56 HIS QB 92 no 23.3 95.8 0.050 0.052 0.002 5 1 no 0.070 0 0
2 57 LEU QD 19 no 100.0 100.0 3.276 3.276 0.000 12 2 no 0.042 0 0
2 58 MET QB 164 no 43.3 98.5 0.026 0.027 0.000 2 1 no 0.078 0 0
2 59 PRO QB 167 no 96.7 98.6 0.074 0.075 0.001 2 2 no 0.073 0 0
2 59 PRO QD 133 no 26.7 100.0 0.004 0.004 0.000 3 1 no 0.006 0 0
2 60 SER QB 142 no 100.0 100.0 3.173 3.174 0.001 3 2 no 0.073 0 0
2 62 CYS QB 163 no 100.0 99.9 2.649 2.651 0.002 2 1 no 0.078 0 0
2 64 LEU QB 35 no 93.3 100.0 0.814 0.814 0.000 8 3 no 0.016 0 0
2 64 LEU QD 13 no 100.0 100.0 2.309 2.310 0.001 14 4 no 0.078 0 0
2 65 GLU QB 122 no 100.0 100.0 3.051 3.052 0.001 3 0 no 0.081 0 0
2 66 GLU QB 63 no 100.0 99.9 1.541 1.543 0.002 6 1 no 0.078 0 0
2 67 LYS QB 25 no 100.0 99.8 5.951 5.962 0.010 11 5 no 0.153 0 0
2 67 LYS QD 33 no 100.0 100.0 2.064 2.065 0.000 9 5 no 0.042 0 0
2 67 LYS QG 62 no 96.7 30.0 0.000 0.000 0.000 6 1 no 0.040 0 0
2 68 ILE QG 43 no 100.0 99.8 0.758 0.759 0.001 7 2 no 0.066 0 0
2 70 ASN QB 91 no 96.7 100.0 0.421 0.421 0.000 5 1 no 0.000 0 0
2 70 ASN QD 121 no 6.7 81.9 0.001 0.002 0.000 3 0 no 0.094 0 0
2 71 LEU QB 45 no 10.0 98.8 0.033 0.033 0.000 7 4 no 0.072 0 0
2 71 LEU QD 27 no 96.7 99.8 1.265 1.268 0.003 10 4 no 0.061 0 0
2 77 SER QB 173 no 3.3 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 78 LYS QG 120 no 3.3 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 79 LEU QB 101 no 30.0 99.9 0.677 0.677 0.001 5 3 no 0.069 0 0
2 79 LEU QD 67 no 96.7 100.0 2.079 2.079 0.000 6 2 no 0.045 0 0
2 80 GLU QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 81 PHE QB 147 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.017 0 0
2 82 ARG QB 119 no 90.0 100.0 1.208 1.208 0.000 3 0 no 0.058 0 0
2 82 ARG QD 172 no 63.3 99.6 0.220 0.221 0.001 1 0 no 0.108 0 0
2 83 SER QB 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 85 TRP QB 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 86 GLU QB 61 no 50.0 99.8 0.261 0.261 0.001 6 1 no 0.070 0 0
2 87 LEU QD 7 no 100.0 100.0 10.696 10.699 0.003 17 4 no 0.072 0 0
2 88 ILE QG 23 no 100.0 99.8 3.675 3.681 0.006 11 1 no 0.104 0 0
2 89 GLY QA 171 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 90 GLU QB 103 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 93 LYS QB 75 no 50.0 97.7 0.019 0.020 0.000 5 0 no 0.113 0 0
2 93 LYS QG 118 no 6.7 99.9 0.030 0.030 0.000 3 0 no 0.026 0 0
2 94 SER QB 132 no 56.7 100.0 0.190 0.190 0.000 3 1 no 0.008 0 0
2 95 VAL QG 29 no 100.0 100.0 2.037 2.037 0.000 9 0 no 0.060 0 0
2 96 LYS QG 117 no 96.7 99.7 0.466 0.468 0.002 3 0 no 0.085 0 0
2 97 LEU QB 113 no 20.0 100.0 0.001 0.001 0.000 4 3 no 0.000 0 0
2 97 LEU QD 31 no 86.7 99.9 1.930 1.932 0.002 9 4 no 0.129 0 0
2 99 ARG QB 131 no 80.0 99.7 0.201 0.201 0.001 3 1 no 0.099 0 0
2 99 ARG QD 141 no 100.0 99.9 0.613 0.614 0.001 3 2 no 0.099 0 0
stop_
save_