NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
473723 |
2js7   |
15356 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2js7
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 237
_Stereo_assign_list.Swap_count 7
_Stereo_assign_list.Swap_percentage 3.0
_Stereo_assign_list.Deassign_count 13
_Stereo_assign_list.Deassign_percentage 5.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 98.810
_Stereo_assign_list.Total_e_high_states 825.694
_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 ILE QG 232 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 LEU QD 231 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 ASP QB 230 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 ASP QB 118 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 9 PRO QB 115 no 100.0 100.0 1.683 1.683 0.000 6 2 no 0.037 0 0
1 9 PRO QD 66 no 100.0 99.9 1.788 1.789 0.002 9 4 no 0.173 0 0
1 10 LEU QB 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 LEU QD 170 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.028 0 0
1 11 GLY QA 228 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.014 0 0
1 12 HIS QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 13 MET QB 227 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 MET QG 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 PRO QB 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 PRO QD 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 15 GLU QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 15 GLU QG 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 16 ARG QB 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 ARG QD 223 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.219 0 0
1 17 PHE QB 72 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.016 0 0
1 17 PHE QD 27 yes 85.0 81.5 24.709 30.320 5.611 16 4 yes 3.533 22 28
1 17 PHE QE 57 yes 85.0 80.1 17.108 21.355 4.247 10 3 yes 3.610 11 13
1 18 ASP QB 78 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.072 0 0
1 20 PHE QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 PHE QD 22 no 55.0 5.4 0.920 17.044 16.125 18 2 yes 3.564 66 77
1 20 PHE QE 151 no 45.0 4.8 0.543 11.238 10.694 4 0 yes 3.540 27 27
1 21 ILE QG 71 no 100.0 100.0 0.022 0.022 0.000 8 0 no 0.000 0 0
1 22 CYS QB 114 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.038 0 0
1 23 TYR QB 177 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 23 TYR QD 21 no 100.0 100.0 42.858 42.858 0.000 19 7 no 0.006 0 0
1 23 TYR QE 26 no 100.0 100.0 71.583 71.584 0.000 17 6 no 0.055 0 0
1 25 PRO QB 150 no 70.0 100.0 0.068 0.068 0.000 4 0 no 0.000 0 0
1 25 PRO QD 92 no 100.0 100.0 0.563 0.563 0.000 7 0 no 0.000 0 0
1 25 PRO QG 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 SER QB 86 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.059 0 0
1 27 ASP QB 169 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 28 ILE QG 49 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.017 0 0
1 29 GLN QB 113 no 100.0 100.0 0.402 0.402 0.000 6 2 no 0.000 0 0
1 29 GLN QE 237 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 29 GLN QG 64 no 90.0 100.0 0.801 0.802 0.000 9 0 no 0.068 0 0
1 30 PHE QB 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 PHE QD 149 no 10.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 VAL QG 1 no 100.0 96.9 20.646 21.297 0.651 47 18 no 0.035 0 0
1 32 GLN QB 46 no 95.0 99.9 0.712 0.713 0.000 12 4 no 0.062 0 0
1 32 GLN QE 37 no 100.0 0.0 0.000 0.003 0.003 14 6 no 0.103 0 0
1 32 GLN QG 14 no 100.0 99.3 0.140 0.141 0.001 27 9 no 0.073 0 0
1 33 GLU QB 91 no 20.0 100.0 0.009 0.009 0.000 7 0 no 0.000 0 0
1 33 GLU QG 41 no 55.0 99.9 0.430 0.431 0.000 12 0 no 0.040 0 0
1 34 MET QB 32 no 100.0 100.0 0.688 0.688 0.000 14 1 no 0.063 0 0
1 34 MET QG 168 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.012 0 0
1 35 ILE QG 56 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 36 ARG QB 109 no 100.0 100.0 0.345 0.345 0.000 6 0 no 0.000 0 0
1 36 ARG QD 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 ARG QG 70 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 37 GLN QB 108 no 100.0 100.0 2.633 2.633 0.000 6 0 no 0.073 0 0
1 38 LEU QB 60 no 85.0 100.0 0.160 0.160 0.000 10 4 no 0.000 0 0
1 38 LEU QD 6 no 100.0 100.0 6.661 6.661 0.001 34 7 no 0.069 0 0
1 39 GLU QG 147 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.106 0 0
1 40 GLN QB 176 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.017 0 0
1 40 GLN QE 175 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.017 0 0
1 40 GLN QG 107 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.012 0 0
1 42 ASN QB 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.019 0 0
1 43 TYR QB 171 no 100.0 98.8 0.167 0.169 0.002 4 3 no 0.019 0 0
1 43 TYR QD 85 yes 95.0 95.5 8.455 8.850 0.395 8 4 yes 2.386 2 2
1 43 TYR QE 94 yes 95.0 96.3 18.519 19.235 0.715 7 1 yes 2.286 4 4
1 44 ARG QD 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 45 LEU QB 167 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 45 LEU QD 13 no 100.0 100.0 4.647 4.648 0.001 28 9 no 0.090 0 0
1 46 LYS QB 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 LYS QE 217 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.148 0 0
1 46 LYS QG 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 LEU QB 166 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 47 LEU QD 18 no 100.0 99.9 6.379 6.387 0.008 23 5 no 0.166 0 0
1 48 CYS QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 49 VAL QG 17 no 100.0 100.0 8.453 8.457 0.004 24 6 no 0.120 0 0
1 52 ARG QB 112 no 100.0 0.0 0.000 0.007 0.007 6 2 no 0.323 0 0
1 52 ARG QD 165 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.075 0 0
1 52 ARG QG 164 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.070 0 0
1 53 ASP QB 163 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 54 VAL QG 39 no 100.0 100.0 2.405 2.406 0.000 13 4 no 0.055 0 0
1 55 LEU QB 162 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.013 0 0
1 55 LEU QD 8 no 100.0 100.0 18.650 18.653 0.003 33 14 no 0.142 0 0
1 56 PRO QD 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 56 PRO QG 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 CYS QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 60 VAL QG 12 no 100.0 100.0 28.281 28.292 0.011 28 8 no 0.323 0 0
1 61 TRP QB 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 SER QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 ILE QG 124 no 95.0 98.7 2.078 2.105 0.026 5 1 no 0.000 0 0
1 65 SER QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 66 GLU QB 122 no 100.0 99.9 0.009 0.009 0.000 5 0 no 0.013 0 0
1 66 GLU QG 55 no 0.0 0.0 0.000 0.000 0.000 10 2 no 0.050 0 0
1 67 LEU QB 34 no 100.0 100.0 0.745 0.745 0.000 14 5 no 0.037 0 0
1 67 LEU QD 20 no 100.0 100.0 3.714 3.714 0.000 21 8 no 0.064 0 0
1 68 ILE QG 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 69 GLU QB 111 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.040 0 0
1 69 GLU QG 161 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.060 0 0
1 70 LYS QE 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.048 0 0
1 70 LYS QG 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 ARG QB 28 no 100.0 81.7 2.185 2.676 0.490 15 3 no 0.056 0 0
1 71 ARG QD 63 no 100.0 0.0 0.000 5.497 5.497 10 10 no 0.018 0 0
1 71 ARG QG 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 72 CYS QB 69 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 73 ARG QD 77 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.060 0 0
1 73 ARG QG 121 no 85.0 99.4 0.311 0.313 0.002 5 0 no 0.114 0 0
1 74 ARG QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.046 0 0
1 74 ARG QD 160 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.012 0 0
1 74 ARG QG 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 MET QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 MET QG 29 no 75.0 13.5 0.913 6.739 5.826 15 5 no 0.000 0 0
1 76 VAL QG 25 no 100.0 100.0 4.899 4.899 0.000 17 2 no 0.000 0 0
1 77 VAL QG 4 no 100.0 100.0 10.380 10.381 0.000 36 18 no 0.038 0 0
1 78 VAL QG 16 no 100.0 79.6 7.249 9.104 1.855 25 11 no 0.046 0 0
1 79 VAL QG 7 no 100.0 42.0 11.083 26.369 15.287 34 14 yes 3.170 15 22
1 80 SER QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 ASP QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 82 ASP QB 84 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.059 0 0
1 83 TYR QB 106 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.047 0 0
1 83 TYR QD 80 no 100.0 100.0 10.613 10.613 0.000 8 3 no 0.000 0 0
1 83 TYR QE 53 no 100.0 100.0 41.279 41.280 0.001 11 6 no 0.068 0 0
1 84 LEU QB 45 no 100.0 100.0 0.598 0.598 0.000 12 4 no 0.000 0 0
1 84 LEU QD 3 no 100.0 95.1 29.606 31.116 1.510 41 20 yes 2.648 9 9
1 85 GLN QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 85 GLN QG 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 SER QB 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 LYS QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 LYS QD 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 LYS QE 201 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.134 0 0
1 88 GLU QG 110 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 89 CYS QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 ASP QB 159 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.051 0 0
1 91 PHE QB 44 no 100.0 99.4 0.044 0.044 0.000 12 4 no 0.051 0 0
1 91 PHE QD 59 no 100.0 100.0 16.384 16.384 0.000 10 4 no 0.046 0 0
1 91 PHE QE 105 no 100.0 100.0 6.370 6.371 0.000 6 0 no 0.017 0 0
1 92 GLN QB 43 no 95.0 100.0 0.636 0.636 0.000 12 4 no 0.000 0 0
1 92 GLN QE 48 no 100.0 0.0 0.000 0.003 0.003 12 6 no 0.099 0 0
1 92 GLN QG 119 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 94 LYS QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 LYS QD 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.013 0 0
1 94 LYS QE 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.076 0 0
1 94 LYS QG 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 PHE QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 PHE QD 52 no 100.0 100.0 16.777 16.777 0.000 11 2 no 0.000 0 0
1 95 PHE QE 40 no 100.0 100.0 39.235 39.236 0.001 13 6 no 0.083 0 0
1 97 LEU QB 79 no 100.0 100.0 0.561 0.561 0.000 8 3 no 0.000 0 0
1 97 LEU QD 38 no 100.0 100.0 2.291 2.291 0.000 13 3 no 0.025 0 0
1 98 SER QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 LEU QB 158 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.076 0 0
1 99 LEU QD 5 no 100.0 99.9 14.542 14.554 0.012 35 12 no 0.166 0 0
1 100 SER QB 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.069 0 0
1 101 PRO QD 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 PRO QG 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 HIS QB 76 no 100.0 100.0 1.497 1.497 0.000 8 2 no 0.008 0 0
1 105 GLN QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 105 GLN QE 65 no 100.0 99.9 0.384 0.384 0.000 9 4 no 0.081 0 0
1 105 GLN QG 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 106 LYS QB 90 no 100.0 99.8 0.449 0.450 0.001 7 0 no 0.105 0 0
1 106 LYS QD 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 LYS QE 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 LYS QG 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 107 ARG QB 58 no 95.0 99.8 1.668 1.671 0.003 10 4 no 0.198 0 0
1 107 ARG QD 174 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.033 0 0
1 108 LEU QB 47 no 100.0 99.6 0.375 0.376 0.001 12 6 no 0.161 0 0
1 108 LEU QD 2 no 100.0 100.0 15.764 15.768 0.004 46 22 no 0.113 0 0
1 109 ILE QG 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 110 PRO QB 88 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.022 0 0
1 110 PRO QD 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.028 0 0
1 110 PRO QG 68 no 100.0 100.0 2.157 2.157 0.000 9 5 no 0.040 0 0
1 111 ILE QG 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 112 LYS QB 236 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 112 LYS QE 83 no 0.0 0.0 0.000 0.001 0.001 8 4 no 0.093 0 0
1 112 LYS QG 87 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.092 0 0
1 113 TYR QD 95 yes 95.0 89.6 11.225 12.528 1.304 7 3 yes 3.486 3 3
1 114 LYS QE 235 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 114 LYS QG 75 no 85.0 100.0 0.554 0.554 0.000 8 2 no 0.006 0 0
1 116 MET QB 102 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.175 0 0
1 116 MET QG 31 no 100.0 0.0 0.000 0.001 0.001 14 0 no 0.085 0 0
1 117 LYS QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 117 LYS QG 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 118 LYS QB 123 no 95.0 99.9 0.089 0.089 0.000 5 1 no 0.019 0 0
1 118 LYS QD 74 no 95.0 99.1 0.468 0.472 0.004 8 2 no 0.121 0 0
1 118 LYS QE 234 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 118 LYS QG 132 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.157 0 0
1 119 GLU QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 119 GLU QG 101 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.003 0 0
1 120 PHE QB 24 no 100.0 100.0 1.691 1.692 0.000 18 10 no 0.043 0 0
1 120 PHE QD 50 no 60.0 12.3 0.896 7.307 6.411 12 7 yes 1.993 21 38
1 120 PHE QE 116 no 60.0 21.5 2.614 12.148 9.534 6 3 yes 3.246 33 38
1 121 PRO QB 73 no 100.0 100.0 0.861 0.861 0.000 8 2 no 0.014 0 0
1 121 PRO QD 62 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.021 0 0
1 121 PRO QG 42 no 100.0 99.9 2.196 2.197 0.001 12 3 no 0.068 0 0
1 123 ILE QG 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 124 LEU QB 125 no 100.0 100.0 0.985 0.985 0.000 5 2 no 0.029 0 0
1 124 LEU QD 9 no 100.0 68.4 11.877 17.362 5.485 32 19 yes 2.803 24 24
1 125 ARG QB 36 no 100.0 99.9 0.712 0.713 0.001 14 6 no 0.071 0 0
1 125 ARG QD 97 no 90.0 96.7 0.118 0.122 0.004 7 5 no 0.155 0 0
1 125 ARG QG 51 no 100.0 99.9 3.037 3.039 0.002 11 1 no 0.081 0 0
1 126 PHE QB 89 no 100.0 99.9 0.859 0.859 0.000 7 0 no 0.052 0 0
1 126 PHE QD 67 yes 100.0 100.0 17.198 17.198 0.000 9 5 no 0.040 0 0
1 126 PHE QE 96 yes 100.0 100.0 23.821 23.822 0.001 7 4 no 0.099 0 0
1 127 ILE QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 129 VAL QG 11 no 100.0 95.9 12.542 13.073 0.532 29 10 no 0.152 0 0
1 130 CYS QB 30 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.031 0 0
1 131 ASP QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 132 TYR QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.054 0 0
1 132 TYR QD 120 no 100.0 100.0 4.161 4.161 0.000 5 0 no 0.000 0 0
1 132 TYR QE 99 no 100.0 100.0 12.224 12.225 0.000 6 0 no 0.074 0 0
1 134 ASN QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 PRO QB 131 no 80.0 100.0 0.056 0.056 0.000 4 0 no 0.000 0 0
1 135 PRO QD 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 136 CYS QB 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 138 LYS QB 82 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.016 0 0
1 138 LYS QD 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.009 0 0
1 138 LYS QE 173 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 139 SER QB 129 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.181 0 0
1 140 TRP QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 141 PHE QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 141 PHE QD 93 no 100.0 100.0 7.930 7.930 0.000 7 1 no 0.000 0 0
1 141 PHE QE 33 no 100.0 84.3 34.822 41.305 6.483 14 4 yes 3.493 1 1
1 142 TRP QB 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 144 ARG QB 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 144 ARG QD 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.027 0 0
1 144 ARG QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 145 LEU QB 54 no 100.0 100.0 0.043 0.043 0.000 10 2 no 0.000 0 0
1 145 LEU QD 15 no 100.0 100.0 14.826 14.827 0.001 25 7 no 0.067 0 0
1 147 LYS QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 LYS QD 233 no 100.0 0.0 0.000 0.015 0.015 2 2 no 0.000 0 0
1 147 LYS QE 172 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.009 0 0
1 147 LYS QG 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 149 LEU QB 117 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.007 0 0
1 149 LEU QD 10 no 100.0 100.0 16.152 16.155 0.003 29 10 no 0.166 0 0
1 150 SER QB 157 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 151 LEU QB 35 no 100.0 100.0 3.229 3.229 0.000 14 6 no 0.033 0 0
1 151 LEU QD 23 no 100.0 100.0 4.282 4.282 0.000 18 10 no 0.031 0 0
1 152 PRO QB 178 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.148 0 0
1 152 PRO QD 61 no 95.0 100.0 0.442 0.442 0.000 10 6 no 0.031 0 0
1 153 LEU QB 81 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.004 0 0
1 153 LEU QD 19 no 100.0 99.9 0.747 0.748 0.001 23 9 no 0.068 0 0
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