NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404169 |
1wwy   |
10336 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1wwy
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 248
_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 20
_Stereo_assign_list.Total_e_low_states 0.147
_Stereo_assign_list.Total_e_high_states 741.114
_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 SER QB 247 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 GLY QA 225 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.013 0 0
1 8 GLY QA 246 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 TYR QB 61 no 100.0 100.0 8.025 8.026 0.001 19 3 no 0.046 0 0
1 10 MET QB 200 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 10 MET QG 36 no 100.0 99.9 5.191 5.195 0.003 22 6 no 0.058 0 0
1 11 ASP QB 245 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 LEU QB 103 no 100.0 100.0 3.184 3.184 0.000 16 10 no 0.000 0 0
1 12 LEU QD 1 no 100.0 100.0 69.028 69.032 0.003 69 22 no 0.049 0 0
1 13 MET QB 144 no 100.0 100.0 1.346 1.346 0.000 12 5 no 0.000 0 0
1 13 MET QG 82 no 100.0 99.9 6.289 6.295 0.006 18 7 no 0.093 0 0
1 14 PRO QB 192 no 100.0 99.7 0.859 0.862 0.003 6 0 no 0.072 0 0
1 14 PRO QD 124 no 100.0 100.0 5.594 5.594 0.000 14 6 no 0.013 0 0
1 14 PRO QG 160 no 100.0 100.0 4.533 4.533 0.000 10 3 no 0.000 0 0
1 15 PHE QB 65 no 100.0 100.0 5.885 5.887 0.002 19 6 no 0.065 0 0
1 16 ILE QG 45 no 100.0 100.0 3.669 3.669 0.000 20 0 no 0.018 0 0
1 17 ASN QB 63 no 100.0 100.0 1.054 1.054 0.000 19 5 no 0.007 0 0
1 17 ASN QD 132 no 100.0 100.0 2.075 2.075 0.000 13 4 no 0.005 0 0
1 18 LYS QB 115 no 100.0 100.0 1.518 1.518 0.000 14 3 no 0.020 0 0
1 18 LYS QD 202 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.048 0 0
1 18 LYS QE 244 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 18 LYS QG 140 no 100.0 99.9 0.901 0.902 0.001 12 2 no 0.105 0 0
1 20 GLY QA 231 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 21 CYS QB 153 no 100.0 100.0 1.609 1.609 0.000 10 0 no 0.010 0 0
1 22 GLU QB 87 no 100.0 100.0 1.849 1.849 0.000 17 2 no 0.036 0 0
1 22 GLU QG 143 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.028 0 0
1 23 CYS QB 42 no 100.0 100.0 1.249 1.250 0.000 21 9 no 0.033 0 0
1 24 LEU QB 26 no 100.0 100.0 4.266 4.266 0.000 24 8 no 0.003 0 0
1 24 LEU QD 18 no 100.0 0.0 0.000 0.000 0.000 28 16 no 0.027 0 0
1 25 ASN QB 224 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 25 ASN QD 123 no 100.0 100.0 1.715 1.716 0.000 14 6 no 0.020 0 0
1 26 GLU QB 112 no 100.0 99.9 0.575 0.576 0.000 15 6 no 0.038 0 0
1 26 GLU QG 70 no 100.0 100.0 2.510 2.510 0.000 19 9 no 0.008 0 0
1 27 SER QB 118 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.012 0 0
1 28 ASP QB 243 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 29 GLU QB 177 no 100.0 100.0 1.551 1.551 0.000 8 0 no 0.008 0 0
1 29 GLU QG 223 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 30 HIS QB 39 no 100.0 100.0 0.755 0.755 0.000 22 10 no 0.007 0 0
1 31 GLY QA 152 no 100.0 100.0 4.311 4.311 0.000 11 8 no 0.008 0 0
1 32 PHE QB 84 no 100.0 100.0 1.531 1.531 0.000 18 9 no 0.022 0 0
1 33 ASP QB 199 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.056 0 0
1 34 ASN QB 222 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.032 0 0
1 34 ASN QD 221 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 35 CYS QB 35 no 100.0 100.0 4.449 4.449 0.000 22 5 no 0.014 0 0
1 36 LEU QB 110 no 100.0 100.0 5.261 5.262 0.000 15 5 no 0.033 0 0
1 36 LEU QD 7 no 100.0 100.0 24.594 24.594 0.000 39 12 no 0.023 0 0
1 37 ARG QB 149 no 100.0 100.0 1.448 1.448 0.000 11 2 no 0.004 0 0
1 37 ARG QD 198 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 37 ARG QG 220 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 LYS QB 184 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 38 LYS QD 242 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 LYS QE 185 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 38 LYS QG 165 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 39 ASP QB 219 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.016 0 0
1 42 PHE QB 201 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.002 0 0
1 43 LEU QB 54 no 100.0 100.0 0.439 0.439 0.000 20 8 no 0.015 0 0
1 43 LEU QD 4 no 100.0 100.0 34.072 34.076 0.004 46 19 no 0.076 0 0
1 44 GLU QB 92 no 100.0 100.0 4.217 4.217 0.000 17 6 no 0.015 0 0
1 44 GLU QG 158 no 0.0 0.0 0.000 0.000 0.000 10 2 no 0.020 0 0
1 45 SER QB 68 no 100.0 100.0 2.510 2.510 0.000 19 7 no 0.030 0 0
1 46 ASP QB 218 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 47 CYS QB 187 no 100.0 100.0 1.231 1.231 0.000 7 1 no 0.013 0 0
1 48 ASP QB 217 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.092 0 0
1 49 GLU QB 34 no 100.0 99.9 2.780 2.782 0.003 22 5 no 0.082 0 0
1 49 GLU QG 241 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 50 GLN QB 107 no 100.0 99.8 2.660 2.664 0.005 15 4 no 0.078 0 0
1 50 GLN QE 85 no 100.0 100.0 2.865 2.865 0.000 18 13 no 0.024 0 0
1 50 GLN QG 138 no 100.0 99.8 2.710 2.717 0.007 12 1 no 0.104 0 0
1 51 LEU QB 101 no 100.0 99.7 3.134 3.142 0.008 16 6 no 0.102 0 0
1 51 LEU QD 29 no 100.0 0.0 0.000 0.015 0.015 24 10 no 0.139 0 0
1 52 LEU QB 12 no 100.0 99.9 5.232 5.237 0.006 31 10 no 0.083 0 0
1 52 LEU QD 6 no 100.0 0.0 0.000 0.000 0.000 40 20 no 0.025 0 0
1 53 ILE QG 47 no 100.0 100.0 4.507 4.507 0.000 20 3 no 0.020 0 0
1 55 VAL QG 74 no 100.0 0.0 0.000 0.007 0.007 18 0 no 0.080 0 0
1 57 PHE QB 90 no 100.0 100.0 2.725 2.725 0.000 17 4 no 0.033 0 0
1 58 ASN QB 197 no 100.0 0.0 0.000 0.005 0.005 6 2 no 0.162 0 0
1 58 ASN QD 120 no 100.0 99.8 2.427 2.432 0.005 14 5 no 0.177 0 0
1 59 GLN QB 167 no 100.0 100.0 4.959 4.959 0.000 10 7 no 0.000 0 0
1 59 GLN QE 113 no 100.0 100.0 1.828 1.828 0.000 15 11 no 0.022 0 0
1 59 GLN QG 133 no 100.0 100.0 0.528 0.528 0.000 13 5 no 0.000 0 0
1 60 PRO QB 94 no 100.0 100.0 5.059 5.059 0.000 17 7 no 0.029 0 0
1 60 PRO QD 151 no 100.0 100.0 3.584 3.584 0.000 11 7 no 0.029 0 0
1 60 PRO QG 135 no 100.0 100.0 5.667 5.670 0.003 13 8 no 0.213 0 0
1 61 VAL QG 81 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.011 0 0
1 62 LYS QB 105 no 100.0 100.0 1.941 1.941 0.000 15 1 no 0.014 0 0
1 62 LYS QD 16 no 100.0 100.0 3.268 3.268 0.000 28 9 no 0.020 0 0
1 62 LYS QG 60 no 100.0 100.0 5.810 5.810 0.000 19 0 no 0.019 0 0
1 63 LEU QB 23 no 100.0 100.0 3.188 3.188 0.000 25 11 no 0.012 0 0
1 63 LEU QD 21 no 100.0 0.0 0.000 0.000 0.000 26 10 no 0.006 0 0
1 64 TYR QB 98 no 100.0 100.0 3.775 3.776 0.001 16 4 no 0.057 0 0
1 65 SER QB 11 no 100.0 100.0 7.888 7.888 0.000 33 13 no 0.028 0 0
1 66 MET QB 20 no 100.0 100.0 4.422 4.422 0.001 26 8 no 0.034 0 0
1 66 MET QG 10 no 100.0 100.0 5.308 5.309 0.001 34 11 no 0.041 0 0
1 67 LYS QB 78 no 100.0 100.0 3.256 3.256 0.000 18 5 no 0.000 0 0
1 67 LYS QD 119 no 100.0 99.0 0.617 0.624 0.006 14 5 no 0.086 0 0
1 67 LYS QE 67 no 100.0 100.0 2.728 2.728 0.000 19 7 no 0.025 0 0
1 67 LYS QG 106 no 100.0 100.0 1.279 1.279 0.000 15 4 no 0.024 0 0
1 68 PHE QB 73 no 100.0 100.0 6.777 6.777 0.001 19 12 no 0.041 0 0
1 69 GLN QB 122 no 100.0 100.0 7.981 7.981 0.000 14 6 no 0.025 0 0
1 69 GLN QE 97 no 100.0 99.9 2.396 2.398 0.002 17 14 no 0.062 0 0
1 69 GLN QG 129 no 100.0 100.0 1.634 1.635 0.000 13 3 no 0.032 0 0
1 70 GLY QA 95 no 100.0 100.0 2.968 2.968 0.000 17 8 no 0.013 0 0
1 71 PRO QB 186 no 100.0 100.0 2.005 2.005 0.000 7 1 no 0.016 0 0
1 71 PRO QD 96 no 100.0 100.0 2.616 2.616 0.000 17 9 no 0.000 0 0
1 71 PRO QG 150 no 100.0 100.0 1.888 1.889 0.000 11 3 no 0.027 0 0
1 72 ASP QB 216 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.035 0 0
1 73 ASN QB 240 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 ASN QD 164 no 90.0 100.0 0.718 0.718 0.000 10 4 no 0.049 0 0
1 75 GLN QB 56 no 100.0 100.0 2.404 2.404 0.000 20 9 no 0.039 0 0
1 75 GLN QE 66 no 100.0 100.0 2.833 2.834 0.001 19 7 no 0.059 0 0
1 75 GLN QG 178 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.015 0 0
1 76 GLY QA 121 no 100.0 100.0 2.879 2.879 0.000 14 6 no 0.009 0 0
1 77 PRO QB 100 no 100.0 100.0 1.789 1.789 0.000 16 5 no 0.000 0 0
1 77 PRO QD 50 no 100.0 100.0 2.930 2.931 0.000 20 5 no 0.023 0 0
1 77 PRO QG 89 no 100.0 100.0 3.769 3.770 0.001 17 4 no 0.048 0 0
1 78 LYS QB 51 no 100.0 100.0 4.905 4.905 0.000 20 6 no 0.032 0 0
1 78 LYS QD 196 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 78 LYS QE 230 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.041 0 0
1 78 LYS QG 38 no 100.0 100.0 2.642 2.642 0.000 22 9 no 0.044 0 0
1 79 TYR QB 109 no 100.0 100.0 6.891 6.891 0.000 15 5 no 0.024 0 0
1 80 VAL QG 46 no 100.0 0.0 0.000 0.000 0.000 20 2 no 0.030 0 0
1 81 LYS QB 13 no 100.0 100.0 2.836 2.836 0.000 31 13 no 0.021 0 0
1 81 LYS QD 69 no 100.0 100.0 2.239 2.239 0.000 19 8 no 0.000 0 0
1 81 LYS QE 14 no 100.0 100.0 5.378 5.378 0.000 30 15 no 0.007 0 0
1 81 LYS QG 195 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 82 ILE QG 91 no 100.0 100.0 4.321 4.321 0.000 17 5 no 0.005 0 0
1 83 PHE QB 49 no 100.0 99.7 0.684 0.687 0.002 20 5 no 0.048 0 0
1 84 ILE QG 148 no 100.0 100.0 2.322 2.323 0.001 11 2 no 0.033 0 0
1 85 ASN QB 117 no 100.0 100.0 1.163 1.163 0.000 14 4 no 0.001 0 0
1 85 ASN QD 157 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 86 LEU QB 58 no 100.0 100.0 2.775 2.775 0.000 20 10 no 0.013 0 0
1 86 LEU QD 28 no 100.0 0.0 0.000 0.000 0.000 24 10 no 0.023 0 0
1 87 PRO QB 205 no 100.0 100.0 0.989 0.989 0.000 5 2 no 0.000 0 0
1 87 PRO QD 131 no 100.0 100.0 0.557 0.557 0.000 13 4 no 0.000 0 0
1 87 PRO QG 142 no 100.0 100.0 0.862 0.862 0.000 12 4 no 0.002 0 0
1 88 ARG QB 183 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 88 ARG QD 182 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 88 ARG QG 163 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.002 0 0
1 89 SER QB 229 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 90 MET QB 40 no 100.0 100.0 1.927 1.927 0.000 21 5 no 0.012 0 0
1 90 MET QG 30 no 100.0 100.0 5.846 5.846 0.000 23 6 no 0.005 0 0
1 91 ASP QB 128 no 100.0 100.0 1.433 1.433 0.000 13 2 no 0.000 0 0
1 92 PHE QB 145 no 100.0 100.0 0.940 0.940 0.000 11 0 no 0.016 0 0
1 93 GLU QB 176 no 100.0 100.0 2.017 2.017 0.000 8 0 no 0.007 0 0
1 93 GLU QG 215 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 94 GLU QB 86 no 100.0 100.0 3.833 3.833 0.000 17 2 no 0.004 0 0
1 94 GLU QG 214 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 96 GLU QB 169 no 100.0 100.0 3.305 3.305 0.000 9 0 no 0.011 0 0
1 96 GLU QG 139 no 100.0 100.0 1.250 1.250 0.000 12 2 no 0.011 0 0
1 97 ARG QB 147 no 100.0 100.0 1.173 1.173 0.000 11 2 no 0.000 0 0
1 97 ARG QD 156 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.002 0 0
1 97 ARG QG 104 no 100.0 100.0 2.563 2.563 0.000 15 0 no 0.007 0 0
1 98 SER QB 213 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 99 GLU QB 226 no 100.0 100.0 1.413 1.413 0.000 4 1 no 0.000 0 0
1 100 PRO QB 25 no 100.0 100.0 5.682 5.682 0.000 24 7 no 0.007 0 0
1 100 PRO QD 134 no 100.0 100.0 1.412 1.412 0.000 13 6 no 0.000 0 0
1 100 PRO QG 171 no 100.0 100.0 0.970 0.970 0.000 9 2 no 0.000 0 0
1 102 GLN QB 93 no 100.0 100.0 2.033 2.034 0.000 17 7 no 0.035 0 0
1 102 GLN QE 44 no 100.0 99.9 0.344 0.344 0.000 21 12 no 0.026 0 0
1 102 GLN QG 27 no 100.0 100.0 1.026 1.026 0.000 24 10 no 0.032 0 0
1 104 LEU QB 181 no 100.0 100.0 1.402 1.402 0.000 8 4 no 0.000 0 0
1 104 LEU QD 8 no 100.0 100.0 12.260 12.260 0.000 38 19 no 0.027 0 0
1 105 GLU QB 168 no 100.0 100.0 1.999 1.999 0.000 9 0 no 0.013 0 0
1 105 GLU QG 88 no 100.0 100.0 1.282 1.282 0.000 17 4 no 0.009 0 0
1 106 LEU QB 32 no 100.0 100.0 2.464 2.464 0.000 23 11 no 0.000 0 0
1 106 LEU QD 3 no 100.0 100.0 55.143 55.143 0.000 50 24 no 0.018 0 0
1 108 GLU QB 194 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 108 GLU QG 191 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 109 ASP QB 212 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 110 ASP QB 24 no 100.0 100.0 2.068 2.068 0.000 25 12 no 0.020 0 0
1 111 ILE QG 179 no 100.0 100.0 1.997 1.997 0.000 8 3 no 0.000 0 0
1 112 LYS QB 77 no 100.0 100.0 3.280 3.280 0.000 18 4 no 0.008 0 0
1 112 LYS QD 211 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 LYS QE 125 no 100.0 0.0 0.000 0.000 0.000 14 10 no 0.003 0 0
1 112 LYS QG 80 no 100.0 100.0 1.395 1.395 0.000 18 6 no 0.000 0 0
1 113 GLU QB 193 no 100.0 100.0 0.988 0.988 0.000 6 1 no 0.010 0 0
1 113 GLU QG 111 no 100.0 100.0 3.332 3.332 0.000 15 6 no 0.004 0 0
1 114 ASP QB 188 no 100.0 100.0 1.150 1.150 0.000 7 3 no 0.000 0 0
1 115 GLY QA 137 no 100.0 100.0 1.868 1.868 0.000 12 1 no 0.017 0 0
1 116 ILE QG 162 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.002 0 0
1 117 VAL QG 5 no 100.0 100.0 33.896 33.898 0.002 42 20 no 0.064 0 0
1 118 PRO QB 173 no 100.0 100.0 1.687 1.687 0.000 9 3 no 0.006 0 0
1 118 PRO QD 159 no 100.0 100.0 0.904 0.904 0.000 10 3 no 0.000 0 0
1 118 PRO QG 204 no 100.0 99.8 1.000 1.002 0.002 5 2 no 0.064 0 0
1 119 LEU QB 79 no 100.0 100.0 3.964 3.964 0.000 18 6 no 0.000 0 0
1 119 LEU QD 2 no 100.0 100.0 42.870 42.871 0.001 67 31 no 0.035 0 0
1 120 ARG QB 99 no 100.0 100.0 8.491 8.491 0.000 16 5 no 0.007 0 0
1 120 ARG QD 228 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 120 ARG QG 43 no 100.0 100.0 7.698 7.698 0.000 21 10 no 0.007 0 0
1 121 TYR QB 175 no 100.0 100.0 0.270 0.270 0.000 8 0 no 0.000 0 0
1 122 VAL QG 53 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.015 0 0
1 123 LYS QB 62 no 100.0 100.0 2.546 2.547 0.000 19 5 no 0.029 0 0
1 123 LYS QD 172 no 100.0 100.0 1.310 1.310 0.000 9 3 no 0.000 0 0
1 123 LYS QE 71 no 100.0 100.0 2.492 2.492 0.000 19 11 no 0.009 0 0
1 123 LYS QG 37 no 100.0 100.0 5.547 5.549 0.001 22 7 no 0.050 0 0
1 124 PHE QB 22 no 100.0 100.0 1.138 1.138 0.000 25 6 no 0.000 0 0
1 125 GLN QB 141 no 100.0 100.0 1.803 1.803 0.000 12 3 no 0.006 0 0
1 125 GLN QE 41 no 100.0 100.0 2.877 2.877 0.000 21 8 no 0.003 0 0
1 125 GLN QG 52 no 100.0 100.0 3.796 3.796 0.000 20 7 no 0.018 0 0
1 126 ASN QB 180 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.026 0 0
1 126 ASN QD 248 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 127 VAL QG 19 no 100.0 0.0 0.000 0.000 0.000 26 4 no 0.036 0 0
1 128 ASN QB 227 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.007 0 0
1 128 ASN QD 170 no 100.0 100.0 2.075 2.075 0.000 9 2 no 0.090 0 0
1 129 SER QB 136 no 100.0 100.0 2.084 2.084 0.001 12 0 no 0.027 0 0
1 130 VAL QG 174 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 132 ILE QG 33 no 100.0 100.0 4.091 4.091 0.000 22 4 no 0.016 0 0
1 133 PHE QB 31 no 100.0 100.0 2.629 2.630 0.000 23 9 no 0.021 0 0
1 134 VAL QG 9 no 100.0 100.0 36.491 36.503 0.012 35 7 no 0.102 0 0
1 135 GLN QB 57 no 100.0 100.0 2.001 2.001 0.000 20 10 no 0.009 0 0
1 135 GLN QE 72 no 100.0 100.0 4.539 4.539 0.000 19 12 no 0.001 0 0
1 135 GLN QG 83 no 100.0 100.0 2.449 2.449 0.000 18 8 no 0.011 0 0
1 136 SER QB 239 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 137 ASN QB 75 no 100.0 100.0 0.704 0.704 0.000 18 1 no 0.004 0 0
1 137 ASN QD 116 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.011 0 0
1 138 GLN QB 166 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 138 GLN QE 17 no 100.0 100.0 2.187 2.187 0.000 28 14 no 0.024 0 0
1 138 GLN QG 127 no 100.0 100.0 2.359 2.359 0.000 13 1 no 0.015 0 0
1 139 GLY QA 130 no 100.0 100.0 0.307 0.307 0.000 13 4 no 0.000 0 0
1 140 GLU QB 210 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 140 GLU QG 209 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 141 GLU QB 126 no 100.0 100.0 1.703 1.703 0.000 13 1 no 0.011 0 0
1 141 GLU QG 190 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.049 0 0
1 142 GLU QB 203 no 100.0 100.0 1.560 1.560 0.000 5 1 no 0.030 0 0
1 142 GLU QG 146 no 100.0 100.0 0.386 0.386 0.000 11 2 no 0.002 0 0
1 145 ARG QB 102 no 100.0 100.0 1.618 1.618 0.000 16 9 no 0.021 0 0
1 145 ARG QG 238 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 146 ILE QG 208 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 147 SER QB 161 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.021 0 0
1 148 TYR QB 114 no 100.0 100.0 3.339 3.339 0.000 14 2 no 0.007 0 0
1 149 PHE QB 76 no 100.0 100.0 5.952 5.952 0.000 18 2 no 0.030 0 0
1 151 PHE QB 55 no 100.0 100.0 3.793 3.793 0.000 20 9 no 0.021 0 0
1 152 ILE QG 48 no 100.0 100.0 1.173 1.173 0.000 20 4 no 0.054 0 0
1 153 GLY QA 15 no 100.0 100.0 2.653 2.654 0.001 29 10 no 0.086 0 0
1 155 PRO QB 108 no 100.0 100.0 4.919 4.919 0.000 15 5 no 0.024 0 0
1 155 PRO QD 64 no 100.0 99.7 1.516 1.521 0.005 19 6 no 0.066 0 0
1 155 PRO QG 154 no 100.0 100.0 2.775 2.775 0.000 10 1 no 0.006 0 0
1 156 VAL QG 59 no 100.0 0.0 0.000 0.000 0.000 20 14 no 0.031 0 0
1 157 GLN QB 207 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 157 GLN QG 155 no 100.0 0.0 0.000 0.002 0.002 10 2 no 0.170 0 0
1 161 MET QG 206 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.034 0 0
1 163 ASP QB 237 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 164 PHE QB 236 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.011 0 0
1 165 LYS QD 235 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 165 LYS QG 189 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 166 SER QB 234 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 168 PRO QB 233 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 170 SER QB 232 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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