NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
479064 |
2kn7   |
16449 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kn7
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 209
_Stereo_assign_list.Swap_count 2
_Stereo_assign_list.Swap_percentage 1.0
_Stereo_assign_list.Deassign_count 6
_Stereo_assign_list.Deassign_percentage 2.9
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 350.261
_Stereo_assign_list.Total_e_high_states 880.844
_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 3 TYR QB 155 no 100.0 99.7 2.685 2.693 0.008 5 0 no 0.239 0 0
1 4 ASN QB 127 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.029 0 0
1 4 ASN QD 149 no 100.0 99.9 4.500 4.506 0.006 6 3 no 0.154 0 0
1 5 PRO QB 158 no 100.0 98.0 0.381 0.389 0.008 5 2 no 0.113 0 0
1 5 PRO QD 78 no 100.0 100.0 0.440 0.440 0.000 12 5 no 0.029 0 0
1 5 PRO QG 136 no 100.0 100.0 2.516 2.517 0.001 7 3 no 0.085 0 0
1 6 GLY QA 148 no 100.0 99.8 0.312 0.313 0.001 6 3 no 0.085 0 0
1 7 PRO QB 36 no 100.0 99.9 1.513 1.515 0.001 15 4 no 0.063 0 0
1 7 PRO QD 132 no 100.0 100.0 0.410 0.410 0.000 7 1 no 0.000 0 0
1 7 PRO QG 108 no 100.0 100.0 3.448 3.448 0.000 9 1 no 0.023 0 0
1 8 GLN QB 135 no 100.0 100.0 1.417 1.418 0.001 7 2 no 0.059 0 0
1 8 GLN QE 51 no 100.0 100.0 1.987 1.987 0.000 14 6 no 0.043 0 0
1 8 GLN QG 94 no 100.0 99.9 0.668 0.669 0.001 10 2 no 0.066 0 0
1 9 ASP QB 49 no 100.0 99.8 4.710 4.721 0.011 14 5 no 0.130 0 0
1 10 PHE QB 10 no 100.0 100.0 4.782 4.782 0.000 22 3 no 0.031 0 0
1 11 LEU QB 124 no 100.0 99.9 0.574 0.574 0.000 8 1 no 0.064 0 0
1 11 LEU QD 103 no 100.0 0.0 0.000 0.005 0.005 10 4 no 0.091 0 0
1 12 LEU QB 114 no 100.0 99.4 3.449 3.470 0.021 9 3 no 0.177 0 0
1 12 LEU QD 6 no 100.0 99.9 21.637 21.651 0.014 26 8 no 0.134 0 0
1 13 LYS QB 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 13 LYS QD 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 LYS QG 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 MET QB 70 no 100.0 99.9 2.317 2.320 0.003 13 7 no 0.075 0 0
1 14 MET QG 123 no 100.0 100.0 1.137 1.137 0.001 8 1 no 0.045 0 0
1 15 PRO QB 129 no 100.0 99.9 6.127 6.131 0.003 8 5 no 0.088 0 0
1 15 PRO QD 95 no 100.0 100.0 1.978 1.978 0.000 10 3 no 0.010 0 0
1 15 PRO QG 146 no 100.0 100.0 1.246 1.246 0.000 6 1 no 0.042 0 0
1 16 GLY QA 17 no 100.0 99.9 1.618 1.620 0.002 18 11 no 0.073 0 0
1 17 VAL QG 26 no 60.0 5.4 5.516 102.709 97.192 16 0 yes 8.470 80 80
1 18 ASN QB 68 no 100.0 99.0 0.927 0.936 0.009 13 5 no 0.159 0 0
1 18 ASN QD 24 no 100.0 99.7 7.856 7.877 0.021 17 8 no 0.185 0 0
1 20 LYS QB 115 no 100.0 99.1 2.043 2.062 0.018 9 4 no 0.185 0 0
1 20 LYS QD 137 no 100.0 98.6 1.527 1.549 0.022 7 5 no 0.159 0 0
1 20 LYS QG 67 no 100.0 100.0 2.389 2.389 0.000 13 5 no 0.051 0 0
1 21 ASN QB 47 no 100.0 100.0 0.762 0.762 0.000 14 3 no 0.043 0 0
1 21 ASN QD 58 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.069 0 0
1 22 CYS QB 102 no 0.0 0.0 0.000 0.010 0.010 10 4 no 0.134 0 0
1 23 ARG QB 144 no 100.0 100.0 0.435 0.435 0.000 6 0 no 0.006 0 0
1 23 ARG QG 93 no 100.0 98.5 0.911 0.924 0.014 10 2 no 0.203 0 0
1 24 SER QB 101 no 100.0 99.5 4.185 4.204 0.020 10 4 no 0.203 0 0
1 25 LEU QB 66 no 100.0 99.9 2.304 2.306 0.002 13 5 no 0.079 0 0
1 25 LEU QD 100 no 100.0 100.0 11.218 11.218 0.000 10 4 no 0.000 0 0
1 26 MET QB 72 no 100.0 99.8 3.648 3.657 0.009 12 2 no 0.109 0 0
1 26 MET QG 20 no 100.0 99.8 3.584 3.593 0.009 17 4 no 0.168 0 0
1 27 HIS QB 86 no 100.0 99.8 6.592 6.602 0.010 11 4 no 0.168 0 0
1 28 HIS QB 92 no 100.0 0.0 0.000 0.004 0.004 10 2 no 0.144 0 0
1 29 VAL QG 1 no 100.0 100.0 26.990 26.997 0.006 33 10 no 0.105 0 0
1 30 LYS QB 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 30 LYS QE 175 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.116 0 0
1 30 LYS QG 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 ASN QB 44 no 100.0 99.7 0.720 0.722 0.002 14 2 no 0.081 0 0
1 31 ASN QD 11 no 100.0 99.0 3.566 3.602 0.037 20 2 no 0.245 0 0
1 32 ILE QG 60 no 100.0 99.7 4.330 4.342 0.012 13 1 no 0.126 0 0
1 34 GLU QB 34 no 100.0 100.0 2.796 2.796 0.000 15 3 no 0.046 0 0
1 34 GLU QG 42 no 100.0 99.5 2.543 2.555 0.012 14 1 no 0.126 0 0
1 35 LEU QB 13 no 100.0 100.0 2.337 2.337 0.000 20 5 no 0.051 0 0
1 35 LEU QD 180 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 38 LEU QB 22 no 100.0 100.0 4.959 4.961 0.002 17 5 no 0.064 0 0
1 38 LEU QD 4 no 100.0 58.2 4.971 8.541 3.571 26 5 yes 2.176 20 20
1 39 SER QB 121 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.103 0 0
1 40 GLN QB 38 no 100.0 100.0 1.014 1.014 0.000 15 5 no 0.075 0 0
1 40 GLN QE 8 no 100.0 99.9 0.899 0.899 0.001 23 11 no 0.071 0 0
1 40 GLN QG 57 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.097 0 0
1 41 ASP QB 143 no 100.0 0.0 0.000 0.011 0.011 6 0 no 0.282 0 0
1 42 GLU QB 46 no 100.0 99.8 2.953 2.958 0.005 14 3 no 0.174 0 0
1 42 GLU QG 209 no 85.0 99.5 1.211 1.217 0.006 1 1 no 0.139 0 0
1 43 LEU QB 15 no 100.0 99.8 5.257 5.266 0.009 18 1 no 0.108 0 0
1 43 LEU QD 174 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.091 0 0
1 45 SER QB 173 no 100.0 0.0 0.000 0.012 0.012 4 0 no 0.129 0 0
1 46 ILE QG 89 no 100.0 99.6 0.205 0.205 0.001 10 1 no 0.079 0 0
1 47 LEU QB 142 no 0.0 0.0 0.000 0.015 0.015 6 0 no 0.151 0 0
1 47 LEU QD 104 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.004 0 0
1 48 GLY QA 154 no 100.0 100.0 0.755 0.755 0.000 5 0 no 0.000 0 0
1 49 ASN QB 75 no 100.0 100.0 4.557 4.557 0.000 12 3 no 0.032 0 0
1 49 ASN QD 88 no 100.0 99.8 1.039 1.040 0.002 10 1 no 0.061 0 0
1 52 ASN QB 19 no 100.0 99.9 5.051 5.057 0.006 17 4 no 0.088 0 0
1 52 ASN QD 82 no 100.0 100.0 1.662 1.663 0.001 12 7 no 0.043 0 0
1 54 LYS QB 85 no 100.0 100.0 2.770 2.771 0.001 11 4 no 0.051 0 0
1 55 GLN QB 53 no 100.0 100.0 1.959 1.959 0.000 14 7 no 0.027 0 0
1 55 GLN QE 80 no 100.0 99.9 1.136 1.137 0.001 12 6 no 0.093 0 0
1 55 GLN QG 64 no 100.0 99.9 2.800 2.803 0.002 13 4 no 0.073 0 0
1 56 LEU QB 76 no 100.0 100.0 3.409 3.409 0.000 12 4 no 0.000 0 0
1 56 LEU QD 30 no 100.0 100.0 23.046 23.047 0.001 16 5 no 0.048 0 0
1 57 TYR QB 56 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.024 0 0
1 58 ASP QB 111 no 100.0 100.0 0.917 0.917 0.000 9 2 no 0.052 0 0
1 59 PHE QB 40 no 100.0 100.0 3.065 3.065 0.000 15 9 no 0.000 0 0
1 60 ILE QG 32 no 100.0 100.0 7.654 7.656 0.003 15 1 no 0.090 0 0
1 61 HIS QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 SER QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 PHE QB 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 GLU QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 GLU QG 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 3 TYR QB 153 no 100.0 100.0 3.432 3.433 0.001 5 0 no 0.078 0 0
2 4 ASN QB 126 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.047 0 0
2 4 ASN QD 147 no 100.0 99.5 3.162 3.179 0.017 6 3 no 0.227 0 0
2 5 PRO QB 157 no 100.0 96.7 0.372 0.384 0.013 5 2 no 0.150 0 0
2 5 PRO QD 77 no 100.0 100.0 0.378 0.379 0.000 12 5 no 0.047 0 0
2 5 PRO QG 134 no 100.0 99.9 1.514 1.515 0.001 7 2 no 0.064 0 0
2 7 PRO QB 35 no 100.0 99.7 1.403 1.406 0.004 15 4 no 0.125 0 0
2 7 PRO QD 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 7 PRO QG 107 no 100.0 100.0 3.227 3.227 0.000 9 1 no 0.021 0 0
2 8 GLN QB 133 no 100.0 100.0 1.394 1.394 0.000 7 2 no 0.063 0 0
2 8 GLN QE 50 no 100.0 100.0 1.963 1.963 0.000 14 6 no 0.024 0 0
2 8 GLN QG 91 no 100.0 99.8 0.703 0.704 0.001 10 2 no 0.062 0 0
2 9 ASP QB 48 no 100.0 99.8 4.546 4.556 0.009 14 5 no 0.135 0 0
2 10 PHE QB 9 no 100.0 100.0 4.105 4.105 0.000 22 3 no 0.026 0 0
2 11 LEU QB 122 no 100.0 99.9 0.507 0.507 0.000 8 1 no 0.048 0 0
2 11 LEU QD 99 no 100.0 0.0 0.000 0.005 0.005 10 4 no 0.106 0 0
2 12 LEU QB 113 no 100.0 99.4 3.346 3.366 0.020 9 3 no 0.181 0 0
2 12 LEU QD 5 no 100.0 99.9 21.321 21.337 0.015 26 8 no 0.133 0 0
2 13 LYS QB 110 no 100.0 100.0 3.131 3.131 0.000 9 2 no 0.028 0 0
2 13 LYS QD 156 no 90.0 99.8 0.264 0.264 0.001 5 1 no 0.075 0 0
2 13 LYS QG 106 no 100.0 100.0 0.950 0.950 0.000 9 0 no 0.024 0 0
2 14 MET QB 69 no 100.0 99.9 2.402 2.405 0.003 13 6 no 0.082 0 0
2 14 MET QG 120 no 100.0 99.9 1.076 1.077 0.001 8 0 no 0.065 0 0
2 15 PRO QB 128 no 100.0 100.0 5.815 5.817 0.002 8 5 no 0.082 0 0
2 15 PRO QD 90 no 100.0 100.0 1.485 1.485 0.000 10 2 no 0.000 0 0
2 15 PRO QG 145 no 100.0 100.0 1.236 1.236 0.000 6 1 no 0.029 0 0
2 16 GLY QA 16 no 100.0 99.8 1.613 1.616 0.003 18 11 no 0.080 0 0
2 17 VAL QG 25 no 55.0 6.1 6.777 110.670 103.892 16 0 yes 8.492 80 80
2 18 ASN QB 62 no 100.0 98.5 0.602 0.611 0.009 13 3 no 0.186 0 0
2 18 ASN QD 23 no 100.0 99.8 8.541 8.558 0.017 17 8 no 0.168 0 0
2 20 LYS QB 112 no 100.0 98.4 1.301 1.322 0.021 9 3 no 0.231 0 0
2 20 LYS QD 199 no 35.0 99.9 0.231 0.232 0.000 2 1 no 0.061 0 0
2 20 LYS QG 61 no 100.0 99.3 1.538 1.550 0.012 13 3 no 0.168 0 0
2 21 ASN QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 21 ASN QD 98 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.080 0 0
2 22 CYS QB 97 no 100.0 0.0 0.000 0.009 0.009 10 4 no 0.133 0 0
2 23 ARG QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 23 ARG QG 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.033 0 0
2 24 SER QB 105 no 100.0 99.4 1.818 1.829 0.011 9 0 no 0.136 0 0
2 25 LEU QB 65 no 100.0 99.9 2.539 2.542 0.003 13 5 no 0.084 0 0
2 25 LEU QD 96 no 100.0 100.0 10.460 10.460 0.000 10 4 no 0.000 0 0
2 26 MET QB 71 no 100.0 99.8 3.404 3.412 0.008 12 1 no 0.129 0 0
2 26 MET QG 18 no 100.0 99.8 3.980 3.989 0.009 17 3 no 0.121 0 0
2 27 HIS QB 168 no 100.0 0.0 0.000 0.009 0.009 4 0 no 0.147 0 0
2 28 HIS QB 119 no 100.0 0.0 0.000 0.006 0.006 8 0 no 0.133 0 0
2 29 VAL QG 43 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.013 0 0
2 30 LYS QB 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.011 0 0
2 30 LYS QE 166 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.229 0 0
2 30 LYS QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 31 ASN QB 33 no 100.0 99.5 0.845 0.849 0.005 15 2 no 0.125 0 0
2 32 ILE QG 59 no 100.0 99.7 4.349 4.363 0.014 13 1 no 0.141 0 0
2 34 GLU QB 27 no 100.0 100.0 2.681 2.681 0.000 16 2 no 0.052 0 0
2 34 GLU QG 41 no 100.0 99.4 2.504 2.519 0.015 14 0 no 0.172 0 0
2 35 LEU QB 12 no 100.0 100.0 2.246 2.246 0.000 20 4 no 0.037 0 0
2 35 LEU QD 83 no 100.0 99.8 5.765 5.775 0.009 11 3 no 0.143 0 0
2 38 LEU QB 21 no 100.0 100.0 5.281 5.281 0.001 17 5 no 0.054 0 0
2 38 LEU QD 3 no 100.0 54.5 4.540 8.329 3.789 26 5 yes 2.357 20 20
2 39 SER QB 118 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.122 0 0
2 40 GLN QB 37 no 100.0 100.0 0.677 0.677 0.000 15 5 no 0.000 0 0
2 40 GLN QE 7 no 100.0 99.9 0.874 0.874 0.000 23 11 no 0.064 0 0
2 40 GLN QG 55 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.053 0 0
2 41 ASP QB 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 42 GLU QB 45 no 100.0 98.9 0.580 0.586 0.006 14 3 no 0.142 0 0
2 42 GLU QG 208 no 90.0 99.5 1.375 1.383 0.007 1 1 no 0.149 0 0
2 43 LEU QB 14 no 100.0 99.9 5.227 5.232 0.006 19 4 no 0.084 0 0
2 43 LEU QD 29 no 100.0 99.5 5.781 5.808 0.027 16 5 no 0.180 0 0
2 45 SER QB 165 no 100.0 0.0 0.000 0.012 0.012 4 0 no 0.123 0 0
2 46 ILE QG 140 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 47 LEU QB 125 no 100.0 0.0 0.000 0.009 0.009 8 2 no 0.141 0 0
2 47 LEU QD 2 no 100.0 100.0 35.179 35.189 0.010 29 8 no 0.135 0 0
2 48 GLY QA 152 no 100.0 100.0 0.692 0.692 0.000 5 0 no 0.000 0 0
2 49 ASN QB 74 no 100.0 100.0 5.071 5.071 0.000 12 3 no 0.011 0 0
2 49 ASN QD 87 no 100.0 99.7 1.064 1.067 0.003 10 1 no 0.067 0 0
2 52 ASN QB 28 no 100.0 99.9 4.882 4.887 0.005 16 5 no 0.081 0 0
2 52 ASN QD 81 no 100.0 99.9 1.914 1.916 0.001 12 7 no 0.052 0 0
2 54 LYS QB 84 no 100.0 99.9 2.559 2.560 0.001 11 4 no 0.117 0 0
2 55 GLN QB 52 no 100.0 100.0 1.888 1.888 0.000 14 7 no 0.000 0 0
2 55 GLN QE 79 no 100.0 100.0 1.156 1.157 0.000 12 6 no 0.051 0 0
2 55 GLN QG 63 no 100.0 99.9 2.670 2.672 0.002 13 4 no 0.063 0 0
2 56 LEU QB 73 no 100.0 100.0 3.369 3.369 0.000 12 3 no 0.000 0 0
2 57 TYR QB 54 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
2 58 ASP QB 109 no 100.0 100.0 0.742 0.742 0.000 9 2 no 0.044 0 0
2 59 PHE QB 39 no 100.0 100.0 2.642 2.642 0.000 15 8 no 0.000 0 0
2 60 ILE QG 31 no 100.0 100.0 7.533 7.535 0.002 15 1 no 0.104 0 0
2 61 HIS QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 63 SER QB 179 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.018 0 0
2 64 PHE QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 66 GLU QB 190 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.142 0 0
2 66 GLU QG 189 no 100.0 0.0 0.000 0.008 0.008 2 0 no 0.287 0 0
3 1 DC Q2' 151 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
3 1 DC Q5' 207 no 95.0 99.2 0.733 0.739 0.006 1 1 no 0.139 0 0
3 2 DA Q2' 117 no 100.0 96.9 1.997 2.061 0.064 8 0 no 0.385 0 0
3 3 DG Q2' 203 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
3 4 DT Q2' 162 no 10.0 100.0 0.002 0.002 0.000 4 0 no 0.000 0 0
3 5 DG Q2' 184 yes 100.0 26.9 25.221 93.865 68.644 3 1 yes 9.224 20 20
3 6 DG Q2' 188 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.093 0 0
3 7 DC Q2' 131 no 65.0 99.9 0.604 0.605 0.001 7 1 no 0.089 0 0
3 8 DT Q2' 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
3 8 DT Q5' 206 no 60.0 99.8 0.201 0.201 0.000 1 1 no 0.089 0 0
3 9 DG Q2' 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
3 9 DG Q5' 202 no 100.0 100.0 0.005 0.005 0.000 1 0 no 0.137 0 0
3 10 DA Q2' 139 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.056 0 0
3 10 DA Q5' 182 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
4 1 DC Q2' 150 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
4 1 DC Q5' 205 no 100.0 99.0 0.744 0.751 0.007 1 1 no 0.149 0 0
4 2 DA Q2' 116 no 100.0 97.0 1.905 1.964 0.059 8 0 no 0.404 0 0
4 3 DG Q2' 201 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
4 4 DT Q2' 160 no 15.0 100.0 0.001 0.001 0.000 4 0 no 0.000 0 0
4 5 DG Q2' 183 yes 100.0 26.1 25.478 97.746 72.268 3 1 yes 9.556 20 20
4 6 DG Q2' 186 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.090 0 0
4 7 DC Q2' 130 no 65.0 99.8 0.553 0.555 0.001 7 1 no 0.139 0 0
4 8 DT Q2' 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
4 8 DT Q5' 204 no 70.0 99.5 0.196 0.197 0.001 1 1 no 0.139 0 0
4 9 DG Q2' 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
4 9 DG Q5' 200 no 100.0 100.0 0.004 0.004 0.000 1 0 no 0.130 0 0
4 10 DA Q2' 138 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.055 0 0
4 10 DA Q5' 181 no 100.0 35.3 0.000 0.000 0.000 3 0 no 0.025 0 0
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save_
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