NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426071 |
2gzu   |
6317 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2gzu
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 178
_Stereo_assign_list.Swap_count 6
_Stereo_assign_list.Swap_percentage 3.4
_Stereo_assign_list.Deassign_count 17
_Stereo_assign_list.Deassign_percentage 9.6
_Stereo_assign_list.Model_count 15
_Stereo_assign_list.Total_e_low_states 43.856
_Stereo_assign_list.Total_e_high_states 231.584
_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 2 ILE QG 72 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.041 0 0
1 3 ILE QG 44 no 6.7 99.8 0.024 0.024 0.000 9 2 no 0.021 0 0
1 4 ASN QB 90 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 4 ASN QD 89 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 5 ASN QB 24 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.019 0 0
1 5 ASN QD 104 no 100.0 0.0 0.000 0.000 0.000 6 3 no 0.000 0 0
1 6 LEU QB 80 no 100.0 100.0 1.757 1.757 0.000 7 1 no 0.015 0 0
1 6 LEU QD 20 no 100.0 100.0 0.223 0.223 0.000 13 3 no 0.024 0 0
1 7 LYS QB 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 8 LEU QB 28 no 60.0 100.0 0.001 0.001 0.000 11 5 no 0.000 0 0
1 8 LEU QD 2 no 100.0 100.0 1.533 1.534 0.000 22 7 no 0.076 0 0
1 9 ILE QG 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 10 ARG QB 126 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 11 GLU QB 100 no 26.7 100.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 11 GLU QG 79 no 100.0 100.0 0.001 0.001 0.000 7 1 no 0.053 0 0
1 12 LYS QE 176 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.076 0 0
1 13 LYS QB 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 13 LYS QG 60 no 100.0 100.0 0.372 0.372 0.000 8 0 no 0.000 0 0
1 14 LYS QG 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 GLN QE 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 GLN QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 SER QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 19 GLU QB 88 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 20 LEU QB 42 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 20 LEU QD 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 LEU QB 130 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 23 LEU QD 108 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.096 0 0
1 24 LEU QB 175 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 24 LEU QD 4 no 100.0 79.8 12.594 15.790 3.195 22 12 yes 1.272 1 1
1 25 GLU QB 134 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 26 VAL QG 6 no 100.0 100.0 1.589 1.590 0.000 18 2 no 0.029 0 0
1 28 ARG QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 29 GLN QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 ILE QG 59 no 6.7 100.0 0.001 0.001 0.000 8 0 no 0.000 0 0
1 32 ASN QB 32 no 40.0 100.0 0.006 0.006 0.000 10 0 no 0.000 0 0
1 33 GLY QA 56 no 86.7 90.4 0.423 0.468 0.045 9 7 no 0.020 0 0
1 34 ILE QG 125 yes 100.0 100.0 0.134 0.134 0.000 4 2 no 0.000 0 0
1 35 GLU QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 LYS QB 54 no 100.0 100.0 0.558 0.558 0.000 9 4 no 0.000 0 0
1 36 LYS QD 99 no 6.7 100.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 36 LYS QG 110 no 80.0 100.0 0.023 0.023 0.000 5 1 no 0.000 0 0
1 37 ASN QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 ASN QD 178 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 38 LYS QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 LYS QG 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 39 TYR QB 16 no 26.7 99.1 0.006 0.006 0.000 14 5 no 0.020 0 0
1 39 TYR QD 15 no 86.7 84.9 3.632 4.280 0.648 14 5 yes 2.392 1 4
1 39 TYR QE 133 no 46.7 94.2 0.734 0.780 0.046 3 0 no 0.826 0 1
1 41 PRO QB 52 no 46.7 94.9 0.294 0.309 0.016 9 3 no 0.000 0 0
1 41 PRO QD 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 SER QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 LEU QB 107 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 43 LEU QD 10 no 100.0 99.9 9.542 9.555 0.013 18 8 no 0.174 0 0
1 44 GLN QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 GLN QG 87 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 45 LEU QB 71 no 53.3 100.0 0.086 0.086 0.000 8 2 no 0.000 0 0
1 45 LEU QD 70 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 47 LEU QB 38 no 93.3 100.0 1.462 1.462 0.000 10 4 no 0.014 0 0
1 47 LEU QD 51 no 6.7 100.0 0.000 0.000 0.000 9 3 no 0.000 0 0
1 48 LYS QB 22 no 26.7 100.0 0.001 0.001 0.000 12 7 no 0.000 0 0
1 48 LYS QD 160 no 100.0 100.0 1.683 1.683 0.000 2 0 no 0.009 0 0
1 48 LYS QE 40 no 46.7 100.0 0.170 0.170 0.000 10 6 no 0.014 0 0
1 48 LYS QG 27 no 100.0 0.0 0.000 0.000 0.000 11 5 no 0.044 0 0
1 49 ILE QG 36 no 100.0 84.5 0.000 0.000 0.000 10 3 no 0.037 0 0
1 51 TYR QB 62 no 100.0 0.0 0.000 0.000 0.000 8 1 no 0.000 0 0
1 51 TYR QD 69 yes 93.3 95.9 4.346 4.532 0.187 8 2 no 0.969 0 3
1 51 TYR QE 128 yes 93.3 86.8 6.206 7.151 0.945 4 3 yes 1.499 3 3
1 52 TYR QB 98 no 6.7 100.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 52 TYR QD 30 no 100.0 53.2 9.253 17.391 8.138 11 6 yes 2.656 2 3
1 52 TYR QE 50 no 100.0 100.0 17.935 17.935 0.000 9 3 no 0.036 0 0
1 53 LEU QB 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 LEU QD 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 ASN QD 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 56 PRO QB 124 no 66.7 99.7 0.933 0.936 0.003 4 2 no 0.162 0 0
1 56 PRO QD 97 no 100.0 100.0 2.132 2.133 0.000 6 2 no 0.040 0 0
1 57 LEU QB 103 no 66.7 100.0 0.316 0.316 0.000 6 3 no 0.000 0 0
1 57 LEU QD 76 no 33.3 60.3 0.014 0.023 0.009 8 3 no 0.218 0 0
1 58 GLU QG 75 no 86.7 99.7 0.895 0.898 0.003 8 3 no 0.162 0 0
1 59 ASP QB 49 no 100.0 100.0 0.000 0.000 0.000 9 3 no 0.006 0 0
1 60 ILE QG 18 no 13.3 100.0 0.002 0.002 0.000 13 2 no 0.000 0 0
1 61 PHE QB 82 no 100.0 98.9 1.014 1.025 0.011 7 2 no 0.174 0 0
1 61 PHE QD 12 no 93.3 92.7 11.824 12.751 0.927 14 2 yes 3.273 2 3
1 61 PHE QE 34 no 93.3 94.0 2.364 2.514 0.150 10 2 yes 1.114 1 2
1 62 GLN QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 GLN QG 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 TRP QB 8 no 100.0 99.9 1.451 1.452 0.001 18 3 no 0.074 0 0
1 64 GLN QB 92 no 100.0 100.0 0.123 0.123 0.000 6 1 no 0.007 0 0
1 64 GLN QE 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 GLN QG 68 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.043 0 0
2 2 ILE QG 67 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.027 0 0
2 3 ILE QG 43 no 100.0 100.0 0.447 0.447 0.000 9 2 no 0.000 0 0
2 4 ASN QB 86 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 4 ASN QD 85 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 5 ASN QB 23 no 100.0 0.0 0.000 0.001 0.001 12 8 no 0.059 0 0
2 5 ASN QD 102 no 6.7 100.0 0.014 0.014 0.000 6 3 no 0.000 0 0
2 6 LEU QB 78 no 100.0 100.0 1.857 1.857 0.000 7 1 no 0.036 0 0
2 6 LEU QD 19 no 66.7 99.9 0.327 0.327 0.000 13 3 no 0.043 0 0
2 7 LYS QB 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 8 LEU QB 26 no 60.0 99.5 0.002 0.002 0.000 11 5 no 0.011 0 0
2 8 LEU QD 1 no 86.7 99.8 1.256 1.259 0.003 22 7 no 0.151 0 0
2 9 ILE QG 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 10 ARG QB 123 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.043 0 0
2 11 GLU QB 96 no 26.7 100.0 0.000 0.000 0.000 6 2 no 0.000 0 0
2 11 GLU QG 77 no 53.3 99.9 0.578 0.579 0.001 7 1 no 0.073 0 0
2 12 LYS QE 174 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.021 0 0
2 13 LYS QB 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 13 LYS QG 58 no 86.7 100.0 0.146 0.146 0.000 8 0 no 0.018 0 0
2 14 LYS QG 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.032 0 0
2 17 GLN QE 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.013 0 0
2 17 GLN QG 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 18 SER QB 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 19 GLU QB 84 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 20 LEU QB 41 no 6.7 71.9 0.002 0.002 0.001 9 0 no 0.077 0 0
2 20 LEU QD 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 23 LEU QB 129 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 23 LEU QD 106 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.099 0 0
2 24 LEU QB 173 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 24 LEU QD 3 no 100.0 79.8 14.853 18.609 3.756 22 12 yes 1.501 1 2
2 25 GLU QB 132 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 26 VAL QG 5 no 100.0 100.0 1.620 1.621 0.001 18 2 no 0.041 0 0
2 28 ARG QG 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 29 GLN QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 31 ILE QG 57 no 13.3 99.2 0.002 0.002 0.000 8 0 no 0.015 0 0
2 32 ASN QB 31 no 33.3 100.0 0.017 0.017 0.000 10 0 no 0.000 0 0
2 33 GLY QA 55 no 40.0 56.9 0.067 0.118 0.051 9 7 no 0.034 0 0
2 34 ILE QG 122 yes 100.0 100.0 0.111 0.111 0.000 4 2 no 0.000 0 0
2 35 GLU QG 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 36 LYS QB 53 no 100.0 100.0 0.305 0.305 0.000 9 4 no 0.000 0 0
2 36 LYS QD 95 no 20.0 87.2 0.012 0.014 0.002 6 2 no 0.079 0 0
2 36 LYS QG 109 no 40.0 100.0 0.013 0.013 0.000 5 1 no 0.005 0 0
2 37 ASN QB 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 37 ASN QD 177 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 38 LYS QB 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 38 LYS QG 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 39 TYR QB 14 no 26.7 98.6 0.011 0.011 0.000 14 5 no 0.034 0 0
2 39 TYR QD 13 no 86.7 86.6 11.549 13.340 1.791 14 5 yes 3.861 2 5
2 39 TYR QE 131 no 26.7 100.0 0.127 0.127 0.000 3 0 no 0.011 0 0
2 41 PRO QB 48 no 46.7 39.0 0.234 0.599 0.365 9 3 no 0.016 0 0
2 41 PRO QD 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 42 SER QB 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 43 LEU QB 105 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 43 LEU QD 9 no 93.3 99.9 9.012 9.025 0.013 18 8 no 0.168 0 0
2 44 GLN QB 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 44 GLN QG 83 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 45 LEU QB 66 no 46.7 100.0 0.049 0.049 0.000 8 2 no 0.000 0 0
2 45 LEU QD 65 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
2 47 LEU QB 37 no 80.0 99.9 0.419 0.419 0.000 10 4 no 0.065 0 0
2 47 LEU QD 47 no 100.0 0.0 0.000 0.000 0.000 9 3 no 0.000 0 0
2 48 LYS QB 21 no 53.3 65.8 1.384 2.103 0.718 12 7 yes 2.179 3 3
2 48 LYS QD 141 no 60.0 99.9 0.396 0.396 0.000 2 0 no 0.059 0 0
2 48 LYS QE 39 no 46.7 71.3 1.794 2.517 0.723 10 6 yes 2.601 3 3
2 48 LYS QG 25 no 26.7 60.3 1.428 2.367 0.939 11 5 yes 2.416 3 3
2 49 ILE QG 35 no 100.0 100.0 0.000 0.000 0.000 10 3 no 0.049 0 0
2 51 TYR QB 61 no 100.0 0.0 0.000 0.000 0.000 8 1 no 0.000 0 0
2 51 TYR QD 64 yes 93.3 88.9 5.038 5.667 0.629 8 2 yes 1.245 1 1
2 51 TYR QE 127 yes 93.3 89.9 8.383 9.324 0.941 4 3 yes 1.381 3 3
2 52 TYR QB 94 no 46.7 100.0 0.070 0.070 0.000 6 2 no 0.000 0 0
2 52 TYR QD 29 no 80.0 29.6 5.483 18.555 13.072 11 6 yes 3.007 15 15
2 52 TYR QE 46 no 80.0 75.2 9.082 12.074 2.991 9 3 yes 2.413 12 12
2 53 LEU QB 140 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 53 LEU QD 139 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 54 ASN QD 138 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 56 PRO QB 121 no 53.3 99.9 0.304 0.304 0.000 4 2 no 0.048 0 0
2 56 PRO QD 93 no 100.0 100.0 1.834 1.835 0.000 6 2 no 0.028 0 0
2 57 LEU QB 101 no 13.3 99.6 0.020 0.020 0.000 6 3 no 0.037 0 0
2 57 LEU QD 74 no 66.7 9.0 0.002 0.026 0.023 8 3 no 0.263 0 0
2 58 GLU QG 73 no 100.0 100.0 1.040 1.040 0.000 8 3 no 0.048 0 0
2 59 ASP QB 45 no 100.0 0.0 0.000 0.000 0.000 9 3 no 0.000 0 0
2 60 ILE QG 17 no 46.7 100.0 0.014 0.014 0.000 13 2 no 0.000 0 0
2 61 PHE QB 81 no 93.3 98.6 0.866 0.878 0.012 7 2 no 0.168 0 0
2 61 PHE QD 11 no 86.7 75.8 9.055 11.940 2.886 14 2 yes 4.044 8 9
2 61 PHE QE 33 no 86.7 72.8 1.592 2.188 0.595 10 2 yes 1.832 4 7
2 62 GLN QB 137 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 62 GLN QG 136 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 63 TRP QB 7 no 100.0 100.0 1.115 1.115 0.000 18 3 no 0.027 0 0
2 64 GLN QB 91 no 100.0 99.9 0.139 0.139 0.000 6 1 no 0.037 0 0
2 64 GLN QE 135 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 64 GLN QG 63 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.043 0 0
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save_
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