NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
643237 |
6uhw   |
30677 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6uhw
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 259
_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 0.026
_Stereo_assign_list.Total_e_high_states 1301.002
_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 1 MET QB 173 no 100.0 100.0 0.405 0.405 0.000 5 2 no 0.004 0 0
1 1 MET QG 40 no 100.0 99.9 0.781 0.781 0.001 15 6 no 0.036 0 0
1 2 ASN QB 121 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.042 0 0
1 2 ASN QD 133 no 100.0 100.0 0.326 0.326 0.000 7 6 no 0.042 0 0
1 3 ILE QG 52 no 100.0 100.0 2.857 2.857 0.000 13 6 no 0.016 0 0
1 4 LEU QD 79 no 100.0 100.0 9.486 9.486 0.000 10 2 no 0.012 0 0
1 5 TYR QB 120 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 5 TYR QD 25 no 100.0 100.0 63.587 63.587 0.000 18 6 no 0.010 0 0
1 5 TYR QE 209 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.011 0 0
1 6 LYS QB 85 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.011 0 0
1 6 LYS QD 250 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 LYS QE 84 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.007 0 0
1 6 LYS QG 33 no 100.0 100.0 4.392 4.392 0.000 16 5 no 0.007 0 0
1 11 SER QB 195 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 16 ASP QB 152 no 100.0 100.0 0.318 0.318 0.000 6 0 no 0.017 0 0
1 18 ARG QD 249 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.016 0 0
1 18 ARG QG 248 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 SER QB 247 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 HIS QB 246 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 ASP QB 194 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 24 GLN QB 245 no 100.0 100.0 1.713 1.713 0.000 2 0 no 0.000 0 0
1 24 GLN QE 78 no 100.0 100.0 0.254 0.254 0.000 10 2 no 0.010 0 0
1 24 GLN QG 172 no 100.0 100.0 4.282 4.282 0.000 5 2 no 0.006 0 0
1 26 LEU QD 48 no 100.0 100.0 5.895 5.895 0.000 13 0 no 0.023 0 0
1 27 ASP QB 101 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.037 0 0
1 28 VAL QG 50 no 100.0 100.0 9.061 9.061 0.000 13 1 no 0.022 0 0
1 29 LYS QB 66 no 100.0 100.0 2.446 2.446 0.000 12 4 no 0.024 0 0
1 29 LYS QE 256 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 29 LYS QG 100 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.012 0 0
1 30 LEU QD 4 no 100.0 100.0 6.417 6.417 0.000 26 1 no 0.031 0 0
1 33 PRO QG 208 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.008 0 0
1 34 ARG QB 244 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 ARG QD 151 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.032 0 0
1 34 ARG QG 150 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.022 0 0
1 35 GLU QB 167 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.014 0 0
1 35 GLU QG 157 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.004 0 0
1 36 LEU QD 35 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.014 0 0
1 37 GLY QA 243 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 GLY QA 193 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 42 GLU QB 242 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 GLU QG 99 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.034 0 0
1 48 GLN QB 125 no 100.0 100.0 0.370 0.370 0.000 7 0 no 0.007 0 0
1 48 GLN QG 149 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.018 0 0
1 49 LEU QD 42 no 100.0 100.0 3.570 3.570 0.000 14 2 no 0.005 0 0
1 50 PHE QB 241 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 50 PHE QD 87 no 100.0 100.0 49.217 49.217 0.000 10 10 no 0.025 0 0
1 50 PHE QE 46 no 100.0 100.0 64.508 64.508 0.000 14 10 no 0.027 0 0
1 53 GLY QA 255 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.005 0 0
1 54 TYR QB 192 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 54 TYR QD 62 no 100.0 100.0 33.682 33.682 0.000 12 3 no 0.012 0 0
1 54 TYR QE 171 no 100.0 100.0 17.758 17.758 0.000 5 2 no 0.014 0 0
1 58 PHE QB 259 no 80.0 100.0 0.293 0.293 0.000 1 1 no 0.000 0 0
1 58 PHE QD 254 no 100.0 100.0 21.952 21.952 0.000 2 2 no 0.005 0 0
1 58 PHE QE 258 no 100.0 100.0 10.708 10.708 0.000 1 1 no 0.011 0 0
1 64 PHE QB 197 no 100.0 100.0 1.008 1.008 0.000 4 1 no 0.007 0 0
1 64 PHE QD 105 no 100.0 100.0 15.959 15.959 0.000 8 2 no 0.008 0 0
1 64 PHE QE 177 no 100.0 100.0 2.126 2.126 0.000 5 4 no 0.005 0 0
1 65 VAL QG 6 no 100.0 100.0 22.714 22.714 0.000 24 9 no 0.018 0 0
1 68 GLN QB 148 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.004 0 0
1 68 GLN QE 215 no 100.0 100.0 1.676 1.676 0.000 3 1 no 0.009 0 0
1 68 GLN QG 20 no 100.0 100.0 2.868 2.868 0.000 20 6 no 0.013 0 0
1 69 ASN QB 10 no 100.0 100.0 3.360 3.360 0.000 23 11 no 0.023 0 0
1 69 ASN QD 68 no 100.0 100.0 2.297 2.297 0.000 12 7 no 0.006 0 0
1 70 LYS QD 56 no 100.0 100.0 0.915 0.915 0.000 12 0 no 0.021 0 0
1 70 LYS QE 191 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 GLN QB 75 no 100.0 100.0 1.531 1.531 0.000 11 4 no 0.015 0 0
1 71 GLN QE 14 no 100.0 100.0 1.196 1.196 0.000 22 15 no 0.025 0 0
1 71 GLN QG 12 no 100.0 100.0 3.718 3.719 0.000 22 8 no 0.023 0 0
1 73 LEU QB 207 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.014 0 0
1 74 PRO QB 83 no 100.0 100.0 1.528 1.528 0.000 10 4 no 0.014 0 0
1 76 ASP QB 74 no 100.0 100.0 4.532 4.532 0.000 11 4 no 0.028 0 0
1 79 VAL QG 28 no 100.0 100.0 5.757 5.757 0.000 17 2 no 0.028 0 0
1 82 GLU QB 98 no 100.0 100.0 1.971 1.971 0.000 8 0 no 0.014 0 0
1 82 GLU QG 97 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 84 GLY QA 32 no 100.0 100.0 0.205 0.205 0.000 17 9 no 0.004 0 0
1 85 ILE QG 147 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
1 87 PRO QB 213 no 100.0 100.0 0.548 0.549 0.000 3 0 no 0.013 0 0
1 88 ASN QB 146 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.006 0 0
1 89 GLU QB 145 no 100.0 100.0 1.038 1.038 0.000 6 0 no 0.006 0 0
1 89 GLU QG 240 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 GLU QB 111 no 100.0 100.0 1.407 1.407 0.000 8 3 no 0.000 0 0
1 90 GLU QG 159 no 100.0 100.0 2.074 2.074 0.000 6 3 no 0.015 0 0
1 91 GLY QA 206 no 100.0 100.0 0.865 0.865 0.000 4 4 no 0.003 0 0
1 92 GLY QA 239 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 PHE QE 205 no 100.0 100.0 35.832 35.832 0.000 4 4 no 0.008 0 0
1 95 LEU QD 55 no 100.0 100.0 1.330 1.330 0.000 12 0 no 0.011 0 0
1 96 ASP QB 59 no 100.0 99.9 0.327 0.328 0.000 12 2 no 0.031 0 0
1 97 VAL QG 238 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 LEU QD 119 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 100 ARG QB 190 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 ARG QD 156 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.025 0 0
1 100 ARG QG 237 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 VAL QG 189 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 103 LEU QB 204 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 103 LEU QD 236 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 PRO QB 127 no 100.0 99.9 0.656 0.656 0.000 7 3 no 0.023 0 0
1 104 PRO QD 16 no 100.0 100.0 1.776 1.776 0.000 21 10 no 0.014 0 0
1 104 PRO QG 89 no 100.0 100.0 2.440 2.440 0.000 9 4 no 0.012 0 0
1 105 GLY QA 175 no 100.0 100.0 0.978 0.978 0.000 5 3 no 0.009 0 0
1 106 LEU QB 110 no 100.0 100.0 1.284 1.284 0.000 8 3 no 0.012 0 0
1 106 LEU QD 18 no 100.0 100.0 18.069 18.069 0.000 20 4 no 0.019 0 0
1 107 ASP QB 37 no 100.0 100.0 2.068 2.069 0.001 15 2 no 0.036 0 0
1 112 LYS QB 124 no 100.0 100.0 5.670 5.670 0.000 7 0 no 0.003 0 0
1 112 LYS QD 188 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 112 LYS QG 118 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 114 LEU QB 109 no 100.0 100.0 0.873 0.873 0.000 8 3 no 0.000 0 0
1 114 LEU QD 61 no 100.0 100.0 16.272 16.272 0.000 12 3 no 0.010 0 0
1 115 VAL QG 23 no 100.0 100.0 11.337 11.337 0.000 18 5 no 0.009 0 0
1 116 ASP QB 70 no 100.0 100.0 1.398 1.398 0.000 11 0 no 0.015 0 0
1 117 ARG QB 144 no 100.0 100.0 1.242 1.242 0.000 6 0 no 0.021 0 0
1 117 ARG QD 143 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.041 0 0
1 117 ARG QG 235 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 HIS QB 163 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 120 HIS QB 117 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 121 VAL QG 82 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 124 TYR QD 132 no 100.0 100.0 55.480 55.480 0.000 7 6 no 0.024 0 0
1 124 TYR QE 166 no 100.0 100.0 48.402 48.402 0.000 6 6 no 0.019 0 0
1 126 ASN QB 234 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 129 ARG QB 72 no 100.0 99.8 0.504 0.505 0.001 11 2 no 0.039 0 0
1 129 ARG QD 104 no 0.0 0.0 0.000 0.000 0.000 8 2 no 0.016 0 0
1 129 ARG QG 65 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.005 0 0
1 130 ASN QB 233 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 130 ASN QD 162 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.058 0 0
1 131 ASN QB 96 no 95.0 0.0 0.000 0.000 0.000 8 0 no 0.019 0 0
1 132 VAL QG 212 no 100.0 100.0 4.129 4.129 0.000 3 0 no 0.032 0 0
1 134 VAL QG 30 no 100.0 100.0 10.905 10.906 0.000 17 4 no 0.027 0 0
1 136 LEU QB 129 no 100.0 100.0 0.223 0.223 0.000 7 4 no 0.012 0 0
1 136 LEU QD 2 no 100.0 100.0 13.727 13.727 0.000 31 14 no 0.021 0 0
1 137 VAL QG 8 no 100.0 100.0 16.873 16.874 0.000 23 3 no 0.025 0 0
1 138 VAL QG 44 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.024 0 0
2 1 MET QB 170 no 100.0 100.0 0.399 0.399 0.000 5 2 no 0.007 0 0
2 1 MET QG 39 no 100.0 100.0 0.951 0.951 0.000 15 6 no 0.030 0 0
2 2 ASN QB 116 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.044 0 0
2 2 ASN QD 131 no 100.0 100.0 0.321 0.321 0.000 7 6 no 0.044 0 0
2 3 ILE QG 51 no 100.0 100.0 2.766 2.766 0.000 13 6 no 0.017 0 0
2 4 LEU QD 77 no 100.0 100.0 10.119 10.119 0.000 10 2 no 0.006 0 0
2 5 TYR QB 115 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.002 0 0
2 5 TYR QD 24 no 100.0 100.0 69.857 69.857 0.000 18 6 no 0.017 0 0
2 5 TYR QE 203 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.008 0 0
2 6 LYS QB 31 no 95.0 100.0 0.166 0.166 0.000 17 6 no 0.010 0 0
2 6 LYS QD 153 no 100.0 100.0 1.332 1.332 0.000 6 1 no 0.006 0 0
2 6 LYS QE 26 no 100.0 100.0 1.196 1.196 0.000 18 8 no 0.008 0 0
2 6 LYS QG 38 no 100.0 100.0 4.099 4.099 0.000 15 6 no 0.004 0 0
2 11 SER QB 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
2 16 ASP QB 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.019 0 0
2 18 ARG QD 232 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
2 18 ARG QG 231 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 21 SER QB 230 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 22 HIS QB 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 23 ASP QB 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
2 24 GLN QB 228 no 100.0 100.0 1.689 1.689 0.000 2 0 no 0.000 0 0
2 24 GLN QE 76 no 100.0 100.0 0.275 0.275 0.000 10 2 no 0.015 0 0
2 24 GLN QG 169 no 100.0 100.0 4.243 4.243 0.000 5 2 no 0.008 0 0
2 26 LEU QD 47 no 100.0 100.0 6.638 6.639 0.000 13 0 no 0.024 0 0
2 27 ASP QB 95 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.042 0 0
2 28 VAL QG 49 no 100.0 100.0 8.752 8.752 0.000 13 1 no 0.021 0 0
2 29 LYS QB 64 no 100.0 100.0 2.200 2.201 0.000 12 4 no 0.021 0 0
2 29 LYS QE 253 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 29 LYS QG 94 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.004 0 0
2 30 LEU QD 3 no 100.0 100.0 7.057 7.058 0.000 26 1 no 0.022 0 0
2 33 PRO QG 202 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.011 0 0
2 34 ARG QB 227 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
2 34 ARG QD 142 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.039 0 0
2 34 ARG QG 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.016 0 0
2 35 GLU QB 165 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.013 0 0
2 35 GLU QG 155 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.031 0 0
2 36 LEU QD 34 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.013 0 0
2 37 GLY QA 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 38 GLY QA 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 42 GLU QB 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 42 GLU QG 93 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.029 0 0
2 48 GLN QB 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
2 48 GLN QG 140 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.019 0 0
2 49 LEU QD 41 no 100.0 100.0 3.781 3.781 0.000 14 2 no 0.005 0 0
2 50 PHE QB 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 50 PHE QD 86 no 100.0 100.0 50.145 50.145 0.000 10 10 no 0.026 0 0
2 50 PHE QE 45 no 100.0 100.0 65.526 65.526 0.000 14 10 no 0.019 0 0
2 53 GLY QA 252 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.005 0 0
2 54 TYR QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 54 TYR QD 58 no 100.0 100.0 32.664 32.664 0.000 12 2 no 0.010 0 0
2 54 TYR QE 168 no 100.0 100.0 17.012 17.012 0.000 5 2 no 0.018 0 0
2 58 PHE QD 251 no 100.0 100.0 20.236 20.236 0.000 2 2 no 0.009 0 0
2 58 PHE QE 257 no 100.0 100.0 9.582 9.582 0.000 1 1 no 0.008 0 0
2 64 PHE QB 196 no 100.0 100.0 1.014 1.014 0.000 4 1 no 0.003 0 0
2 64 PHE QD 103 no 100.0 100.0 16.203 16.204 0.000 8 2 no 0.008 0 0
2 64 PHE QE 176 no 100.0 100.0 2.094 2.094 0.000 5 4 no 0.005 0 0
2 65 VAL QG 5 no 100.0 100.0 22.377 22.378 0.000 24 9 no 0.023 0 0
2 68 GLN QB 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
2 68 GLN QE 214 no 100.0 100.0 1.829 1.829 0.000 3 1 no 0.007 0 0
2 68 GLN QG 19 no 100.0 100.0 2.912 2.912 0.000 20 6 no 0.010 0 0
2 69 ASN QB 9 no 100.0 100.0 3.344 3.344 0.000 23 11 no 0.021 0 0
2 69 ASN QD 67 no 100.0 100.0 2.291 2.291 0.000 12 7 no 0.010 0 0
2 70 LYS QD 54 no 100.0 99.9 0.256 0.256 0.000 12 0 no 0.021 0 0
2 70 LYS QE 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 71 GLN QB 73 no 100.0 100.0 1.497 1.497 0.000 11 4 no 0.013 0 0
2 71 GLN QE 13 no 100.0 100.0 1.165 1.165 0.000 22 15 no 0.027 0 0
2 71 GLN QG 11 no 100.0 100.0 3.569 3.570 0.000 22 8 no 0.022 0 0
2 73 LEU QB 201 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.015 0 0
2 74 PRO QB 81 no 100.0 100.0 1.702 1.702 0.000 10 4 no 0.018 0 0
2 76 ASP QB 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 79 VAL QG 27 no 100.0 100.0 6.912 6.912 0.000 17 2 no 0.027 0 0
2 82 GLU QB 92 no 100.0 100.0 2.193 2.193 0.000 8 0 no 0.006 0 0
2 82 GLU QG 91 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 84 GLY QA 21 no 100.0 100.0 0.204 0.204 0.000 19 9 no 0.007 0 0
2 85 ILE QG 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.003 0 0
2 87 PRO QB 211 no 100.0 100.0 0.451 0.451 0.000 3 0 no 0.012 0 0
2 88 ASN QB 137 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
2 89 GLU QB 136 no 100.0 100.0 1.002 1.002 0.000 6 0 no 0.005 0 0
2 89 GLU QG 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 90 GLU QB 108 no 100.0 100.0 1.488 1.488 0.000 8 3 no 0.000 0 0
2 90 GLU QG 158 no 100.0 100.0 2.234 2.234 0.000 6 3 no 0.019 0 0
2 91 GLY QA 200 no 100.0 100.0 0.823 0.823 0.000 4 4 no 0.000 0 0
2 92 GLY QA 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.006 0 0
2 93 PHE QE 199 no 100.0 100.0 33.680 33.680 0.000 4 4 no 0.008 0 0
2 95 LEU QD 53 no 100.0 100.0 1.163 1.163 0.000 12 0 no 0.015 0 0
2 96 ASP QB 57 no 100.0 99.8 0.345 0.346 0.001 12 2 no 0.033 0 0
2 97 VAL QG 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 99 LEU QD 114 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.006 0 0
2 100 ARG QB 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 100 ARG QD 154 no 0.0 0.0 0.000 0.000 0.000 6 2 no 0.024 0 0
2 100 ARG QG 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 101 VAL QG 123 no 100.0 100.0 4.627 4.627 0.000 7 0 no 0.012 0 0
2 103 LEU QB 198 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 103 LEU QD 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 104 PRO QB 126 no 100.0 99.9 0.640 0.641 0.000 7 2 no 0.021 0 0
2 104 PRO QD 15 no 100.0 100.0 1.911 1.911 0.000 21 9 no 0.014 0 0
2 104 PRO QG 88 no 100.0 100.0 2.697 2.697 0.000 9 2 no 0.013 0 0
2 105 GLY QA 174 no 100.0 100.0 1.065 1.065 0.000 5 3 no 0.008 0 0
2 106 LEU QB 107 no 100.0 100.0 1.422 1.422 0.000 8 3 no 0.011 0 0
2 106 LEU QD 17 no 100.0 100.0 18.680 18.681 0.000 20 4 no 0.019 0 0
2 107 ASP QB 36 no 100.0 100.0 2.357 2.358 0.000 15 2 no 0.034 0 0
2 112 LYS QB 122 no 100.0 100.0 5.892 5.892 0.000 7 0 no 0.004 0 0
2 112 LYS QD 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.013 0 0
2 112 LYS QG 113 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 114 LEU QB 106 no 100.0 100.0 0.917 0.917 0.000 8 3 no 0.000 0 0
2 114 LEU QD 60 no 100.0 100.0 16.205 16.205 0.000 12 3 no 0.010 0 0
2 115 VAL QG 22 no 100.0 100.0 11.874 11.874 0.000 18 5 no 0.018 0 0
2 116 ASP QB 69 no 100.0 100.0 1.406 1.406 0.000 11 0 no 0.012 0 0
2 117 ARG QB 135 no 100.0 100.0 1.235 1.235 0.000 6 0 no 0.018 0 0
2 117 ARG QD 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.019 0 0
2 117 ARG QG 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 119 HIS QB 161 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 120 HIS QB 112 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 121 VAL QG 80 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.004 0 0
2 124 TYR QD 130 no 100.0 100.0 58.280 58.281 0.000 7 6 no 0.026 0 0
2 124 TYR QE 164 no 100.0 100.0 50.365 50.365 0.000 6 6 no 0.025 0 0
2 126 ASN QB 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 129 ARG QB 71 no 100.0 99.9 0.488 0.489 0.001 11 2 no 0.042 0 0
2 129 ARG QD 102 no 0.0 0.0 0.000 0.000 0.000 8 2 no 0.020 0 0
2 129 ARG QG 63 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.003 0 0
2 130 ASN QB 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.073 0 0
2 130 ASN QD 160 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.069 0 0
2 131 ASN QB 90 no 0.0 0.0 0.000 0.000 0.000 8 0 no 0.021 0 0
2 132 VAL QG 210 no 100.0 100.0 3.918 3.918 0.000 3 0 no 0.025 0 0
2 134 VAL QG 29 no 100.0 100.0 9.990 9.991 0.001 17 4 no 0.031 0 0
2 136 LEU QB 128 no 100.0 100.0 0.210 0.210 0.000 7 4 no 0.016 0 0
2 136 LEU QD 1 no 100.0 100.0 14.158 14.158 0.000 31 14 no 0.020 0 0
2 137 VAL QG 7 no 100.0 100.0 15.517 15.517 0.000 23 3 no 0.024 0 0
2 138 VAL QG 43 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.021 0 0
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