NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420144 |
2ee5   |
10145 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2ee5
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 275
_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 0.077
_Stereo_assign_list.Total_e_high_states 538.071
_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 9 ASN QB 274 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 PHE QB 273 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 ASN QD 272 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 PRO QB 234 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 12 PRO QD 271 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 PRO QB 270 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 PRO QD 138 no 100.0 100.0 0.797 0.797 0.000 8 4 no 0.000 0 0
1 15 ARG QB 115 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.091 0 0
1 16 ARG QB 269 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.049 0 0
1 16 ARG QG 171 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.175 0 0
1 17 ASN QB 190 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.044 0 0
1 17 ASN QD 233 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.014 0 0
1 18 TRP QB 227 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.066 0 0
1 19 GLU QB 226 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 19 GLU QG 225 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.179 0 0
1 20 SER QB 114 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.003 0 0
1 21 ASN QD 224 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.016 0 0
1 22 TYR QB 223 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 23 PHE QB 268 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 MET QB 180 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.006 0 0
1 25 MET QG 267 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 PRO QB 143 no 100.0 100.0 2.234 2.234 0.000 7 2 no 0.000 0 0
1 26 PRO QG 222 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 27 LEU QB 189 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 27 LEU QD 17 no 100.0 100.0 17.528 17.528 0.000 24 10 no 0.015 0 0
1 28 GLN QB 266 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 28 GLN QE 232 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 28 GLN QG 97 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.013 0 0
1 30 LEU QB 192 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 30 LEU QD 12 no 100.0 100.0 10.254 10.254 0.000 27 7 no 0.039 0 0
1 31 VAL QG 21 no 100.0 100.0 12.499 12.499 0.000 22 7 no 0.022 0 0
1 34 GLU QB 79 no 100.0 100.0 1.610 1.610 0.000 11 4 no 0.006 0 0
1 34 GLU QG 170 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 35 LYS QD 265 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 LYS QE 188 no 100.0 0.0 0.000 0.005 0.005 6 4 no 0.199 0 0
1 35 LYS QG 70 no 100.0 0.0 0.000 0.005 0.005 12 8 no 0.199 0 0
1 36 PRO QB 264 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 PRO QD 169 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 36 PRO QG 137 no 100.0 100.0 1.550 1.550 0.000 8 4 no 0.011 0 0
1 37 ILE QG 59 no 100.0 100.0 1.204 1.204 0.000 13 6 no 0.011 0 0
1 38 PRO QB 104 no 100.0 100.0 0.319 0.319 0.000 9 2 no 0.000 0 0
1 38 PRO QD 46 no 100.0 100.0 0.450 0.450 0.000 15 6 no 0.013 0 0
1 39 LEU QB 168 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.078 0 0
1 39 LEU QD 51 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.016 0 0
1 41 VAL QG 11 no 100.0 100.0 20.642 20.642 0.000 27 6 no 0.001 0 0
1 42 GLU QG 113 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 43 LYS QB 43 no 100.0 100.0 0.437 0.437 0.000 15 4 no 0.001 0 0
1 43 LYS QD 221 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 LYS QE 71 no 100.0 0.0 0.000 0.000 0.000 12 10 no 0.059 0 0
1 43 LYS QG 69 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 44 CYS QB 29 no 100.0 100.0 2.073 2.073 0.000 19 8 no 0.011 0 0
1 45 VAL QG 16 no 100.0 100.0 19.884 19.884 0.000 24 7 no 0.017 0 0
1 46 GLU QG 167 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.142 0 0
1 47 PHE QB 136 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 48 ILE QG 166 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 49 GLU QG 165 no 0.0 0.0 0.000 0.001 0.001 6 0 no 0.081 0 0
1 50 ASP QB 164 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.012 0 0
1 52 GLY QA 263 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 LEU QB 187 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 53 LEU QD 22 no 100.0 100.0 6.608 6.608 0.000 21 8 no 0.011 0 0
1 54 CYS QB 163 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.018 0 0
1 56 GLU QB 220 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.069 0 0
1 56 GLU QG 92 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.004 0 0
1 58 LEU QB 135 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.033 0 0
1 58 LEU QD 134 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 60 ARG QB 262 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.054 0 0
1 60 ARG QD 275 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 60 ARG QG 162 no 100.0 0.0 0.000 0.008 0.008 6 0 no 0.212 0 0
1 61 VAL QG 34 no 100.0 100.0 20.148 20.148 0.000 17 6 no 0.030 0 0
1 62 SER QB 261 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 ASN QD 260 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 LYS QD 259 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.016 0 0
1 67 ASP QB 61 no 100.0 100.0 1.368 1.369 0.000 12 1 no 0.063 0 0
1 68 GLN QB 57 no 100.0 99.8 1.433 1.435 0.003 13 4 no 0.140 0 0
1 68 GLN QE 133 no 100.0 0.0 0.000 0.003 0.003 8 4 no 0.140 0 0
1 68 GLN QG 47 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.002 0 0
1 69 ASP QB 161 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.001 0 0
1 70 ASN QB 179 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.004 0 0
1 70 ASN QD 37 no 100.0 100.0 1.263 1.263 0.000 16 4 no 0.063 0 0
1 71 ILE QG 178 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 72 GLN QB 74 no 100.0 100.0 0.959 0.959 0.000 11 0 no 0.008 0 0
1 72 GLN QE 219 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 72 GLN QG 112 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 73 LYS QB 33 no 100.0 100.0 3.505 3.505 0.000 17 4 no 0.006 0 0
1 73 LYS QE 140 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.054 0 0
1 73 LYS QG 186 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.054 0 0
1 74 GLN QE 111 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.034 0 0
1 75 PHE QB 218 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 76 ASP QB 160 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.030 0 0
1 77 GLN QB 132 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 77 GLN QE 231 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 77 GLN QG 217 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 78 ASP QB 159 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.035 0 0
1 79 HIS QB 216 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 80 ASN QB 103 no 100.0 100.0 0.550 0.550 0.000 9 2 no 0.012 0 0
1 80 ASN QD 177 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 81 ILE QG 158 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.007 0 0
1 82 ASN QB 96 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.112 0 0
1 82 ASN QD 50 no 100.0 99.9 0.942 0.944 0.001 14 3 no 0.155 0 0
1 83 LEU QB 121 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 83 LEU QD 18 no 100.0 100.0 29.468 29.468 0.000 23 7 no 0.013 0 0
1 84 VAL QG 40 no 100.0 100.0 6.858 6.858 0.000 15 3 no 0.000 0 0
1 85 SER QB 131 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.112 0 0
1 86 MET QB 45 no 100.0 100.0 2.613 2.613 0.000 15 5 no 0.038 0 0
1 86 MET QG 91 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.005 0 0
1 88 VAL QG 14 no 100.0 100.0 7.897 7.897 0.000 25 10 no 0.008 0 0
1 90 VAL QG 73 no 100.0 100.0 4.454 4.454 0.000 11 0 no 0.001 0 0
1 91 ASN QB 229 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 91 ASN QD 120 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.010 0 0
1 93 VAL QG 10 no 100.0 100.0 19.781 19.781 0.000 27 5 no 0.002 0 0
1 95 GLY QA 142 no 100.0 100.0 1.432 1.432 0.000 7 2 no 0.003 0 0
1 97 LEU QB 66 no 100.0 100.0 0.615 0.615 0.000 12 5 no 0.000 0 0
1 97 LEU QD 4 no 100.0 100.0 17.683 17.683 0.000 31 11 no 0.030 0 0
1 98 LYS QD 110 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.078 0 0
1 98 LYS QE 95 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.140 0 0
1 98 LYS QG 35 no 100.0 99.9 1.116 1.117 0.001 16 2 no 0.140 0 0
1 100 PHE QB 215 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 101 PHE QB 77 no 100.0 100.0 1.765 1.765 0.000 11 2 no 0.011 0 0
1 104 LEU QB 258 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 LEU QD 25 no 100.0 100.0 8.137 8.137 0.000 20 5 no 0.020 0 0
1 105 PRO QB 235 no 100.0 100.0 0.415 0.415 0.000 3 0 no 0.000 0 0
1 105 PRO QD 42 no 100.0 100.0 0.615 0.615 0.000 15 4 no 0.000 0 0
1 105 PRO QG 214 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 106 ASP QB 185 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.055 0 0
1 107 PRO QB 257 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 107 PRO QD 130 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.055 0 0
1 107 PRO QG 213 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 108 LEU QB 139 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 108 LEU QD 2 no 100.0 100.0 12.273 12.273 0.000 33 13 no 0.009 0 0
1 109 ILE QG 157 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 110 PRO QB 176 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.002 0 0
1 110 PRO QD 212 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 110 PRO QG 145 no 100.0 100.0 1.756 1.756 0.000 7 4 no 0.005 0 0
1 111 TYR QB 256 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 113 LEU QB 184 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 113 LEU QD 1 no 100.0 100.0 18.554 18.555 0.000 35 10 no 0.057 0 0
1 114 HIS QB 129 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 115 PRO QB 255 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 115 PRO QD 105 no 100.0 100.0 0.949 0.949 0.000 9 4 no 0.000 0 0
1 115 PRO QG 254 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 117 LEU QB 39 no 100.0 100.0 2.470 2.470 0.000 16 9 no 0.034 0 0
1 117 LEU QD 26 no 100.0 100.0 14.328 14.334 0.006 19 4 no 0.129 0 0
1 118 LEU QB 128 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 118 LEU QD 28 no 100.0 100.0 6.621 6.621 0.000 19 6 no 0.001 0 0
1 119 GLU QG 86 no 100.0 0.0 0.000 0.003 0.003 10 0 no 0.251 0 0
1 122 LYS QB 67 no 100.0 100.0 0.363 0.363 0.000 12 6 no 0.000 0 0
1 122 LYS QD 78 no 100.0 99.9 0.842 0.843 0.001 11 4 no 0.105 0 0
1 122 LYS QE 175 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 122 LYS QG 211 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.094 0 0
1 123 ILE QG 210 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 124 PRO QB 253 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 124 PRO QD 209 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 124 PRO QG 141 no 100.0 100.0 0.741 0.741 0.000 7 0 no 0.011 0 0
1 126 LYS QB 156 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.004 0 0
1 126 LYS QD 252 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.052 0 0
1 126 LYS QE 183 no 100.0 0.0 0.000 0.004 0.004 6 4 no 0.230 0 0
1 126 LYS QG 38 no 100.0 0.0 0.000 0.004 0.004 16 6 no 0.230 0 0
1 128 GLU QG 155 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.018 0 0
1 129 ARG QD 154 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 129 ARG QG 85 no 100.0 100.0 0.387 0.387 0.000 10 0 no 0.029 0 0
1 130 LEU QB 36 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 130 LEU QD 5 no 100.0 100.0 13.691 13.691 0.000 30 13 no 0.021 0 0
1 131 HIS QB 153 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 133 LEU QB 20 no 100.0 100.0 2.938 2.938 0.000 22 4 no 0.012 0 0
1 133 LEU QD 15 no 100.0 100.0 13.108 13.108 0.000 24 5 no 0.003 0 0
1 134 LYS QB 63 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.004 0 0
1 134 LYS QD 49 no 100.0 100.0 1.552 1.552 0.000 14 2 no 0.016 0 0
1 134 LYS QG 109 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.010 0 0
1 135 GLU QB 251 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 136 ILE QG 102 no 100.0 100.0 2.068 2.068 0.000 9 0 no 0.011 0 0
1 137 VAL QG 13 no 100.0 100.0 23.791 23.791 0.000 26 2 no 0.015 0 0
1 138 LYS QB 108 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.037 0 0
1 138 LYS QG 55 no 100.0 100.0 0.766 0.766 0.000 13 2 no 0.000 0 0
1 139 LYS QB 152 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.081 0 0
1 139 LYS QD 174 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.090 0 0
1 139 LYS QG 119 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.077 0 0
1 140 PHE QB 62 no 100.0 99.9 1.139 1.140 0.001 12 2 no 0.082 0 0
1 141 HIS QB 127 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.009 0 0
1 142 PRO QB 250 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 142 PRO QD 208 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 143 VAL QG 6 no 100.0 100.0 9.188 9.188 0.000 29 7 no 0.031 0 0
1 144 ASN QB 100 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.009 0 0
1 144 ASN QD 94 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.021 0 0
1 145 TYR QB 118 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.082 0 0
1 146 ASP QB 126 no 0.0 0.0 0.000 0.000 0.000 8 4 no 0.032 0 0
1 147 VAL QG 9 no 100.0 100.0 20.869 20.869 0.000 28 10 no 0.032 0 0
1 148 PHE QB 117 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.023 0 0
1 149 ARG QB 125 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.034 0 0
1 149 ARG QD 124 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.010 0 0
1 149 ARG QG 249 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 VAL QG 24 no 100.0 100.0 16.189 16.189 0.000 20 3 no 0.008 0 0
1 152 ILE QG 207 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 154 HIS QB 116 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 155 LEU QB 65 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 155 LEU QD 7 no 100.0 100.0 13.693 13.693 0.000 29 10 no 0.017 0 0
1 156 ASN QB 53 no 100.0 100.0 2.390 2.390 0.000 13 1 no 0.003 0 0
1 156 ASN QD 30 no 100.0 100.0 0.812 0.812 0.000 18 4 no 0.012 0 0
1 157 ARG QB 31 no 100.0 100.0 1.588 1.588 0.000 18 6 no 0.011 0 0
1 157 ARG QD 173 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.009 0 0
1 157 ARG QG 90 no 100.0 100.0 3.169 3.169 0.000 10 2 no 0.003 0 0
1 158 VAL QG 19 no 100.0 100.0 18.769 18.769 0.000 23 8 no 0.000 0 0
1 159 SER QB 48 no 100.0 100.0 2.284 2.284 0.000 14 2 no 0.000 0 0
1 160 GLN QB 56 no 100.0 99.9 0.735 0.736 0.001 13 4 no 0.058 0 0
1 160 GLN QE 52 no 100.0 0.0 0.000 0.001 0.001 14 10 no 0.058 0 0
1 160 GLN QG 64 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.006 0 0
1 161 GLN QB 68 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.010 0 0
1 161 GLN QE 99 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.007 0 0
1 162 HIS QB 101 no 100.0 100.0 1.685 1.685 0.000 9 0 no 0.007 0 0
1 163 LYS QB 151 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 163 LYS QD 248 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 163 LYS QG 107 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.046 0 0
1 164 ILE QG 76 no 100.0 100.0 0.863 0.863 0.000 11 2 no 0.007 0 0
1 165 ASN QB 247 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 165 ASN QD 191 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.010 0 0
1 166 LEU QB 182 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 166 LEU QD 58 no 100.0 100.0 5.283 5.283 0.000 13 6 no 0.000 0 0
1 167 MET QB 246 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 167 MET QG 89 no 100.0 100.0 0.587 0.587 0.000 10 2 no 0.000 0 0
1 170 ASP QB 206 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 171 ASN QB 84 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 171 ASN QD 150 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 172 LEU QB 41 no 100.0 100.0 1.942 1.942 0.000 15 4 no 0.000 0 0
1 172 LEU QD 8 no 100.0 100.0 19.190 19.190 0.000 29 11 no 0.000 0 0
1 173 SER QB 60 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 174 ILE QG 83 no 100.0 100.0 0.619 0.619 0.000 10 0 no 0.008 0 0
1 175 CYS QB 149 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.049 0 0
1 176 PHE QB 88 no 100.0 100.0 1.563 1.563 0.000 10 2 no 0.000 0 0
1 177 TRP QB 245 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 178 PRO QB 244 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 178 PRO QD 205 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 180 LEU QB 93 no 100.0 100.0 1.202 1.202 0.000 10 4 no 0.000 0 0
1 180 LEU QD 3 no 100.0 100.0 34.892 34.892 0.000 32 14 no 0.020 0 0
1 181 MET QG 204 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.047 0 0
1 182 ARG QG 243 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.203 0 0
1 183 PRO QB 242 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 183 PRO QD 241 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 184 ASP QB 203 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.024 0 0
1 185 PHE QB 202 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.097 0 0
1 186 GLU QB 240 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 186 GLU QG 239 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.034 0 0
1 187 ASN QB 201 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.027 0 0
1 187 ASN QD 238 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.029 0 0
1 189 GLU QB 237 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 189 GLU QG 200 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.288 0 0
1 191 LEU QB 230 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 191 LEU QD 144 no 95.0 100.0 0.707 0.708 0.000 7 4 no 0.058 0 0
1 196 ILE QG 148 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 198 GLN QB 199 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 198 GLN QG 198 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 200 VAL QG 27 no 100.0 100.0 9.643 9.643 0.000 19 5 no 0.012 0 0
1 201 VAL QG 23 no 100.0 100.0 9.564 9.564 0.000 20 2 no 0.013 0 0
1 202 GLU QB 106 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.001 0 0
1 204 PHE QB 82 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 205 ILE QG 54 no 100.0 100.0 1.006 1.006 0.000 13 2 no 0.000 0 0
1 206 GLN QB 172 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 206 GLN QE 98 no 100.0 100.0 0.347 0.347 0.000 10 6 no 0.018 0 0
1 206 GLN QG 87 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.018 0 0
1 207 GLN QB 81 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.013 0 0
1 207 GLN QE 228 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 207 GLN QG 123 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.002 0 0
1 208 CYS QB 44 no 100.0 100.0 0.501 0.501 0.000 15 5 no 0.012 0 0
1 209 GLN QB 147 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 209 GLN QE 80 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 211 PHE QB 72 no 100.0 100.0 2.068 2.068 0.000 11 0 no 0.029 0 0
1 212 PHE QB 197 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 213 TYR QB 146 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 214 ASN QB 122 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 214 ASN QD 181 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 215 GLY QA 196 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 216 GLU QB 195 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 216 GLU QG 194 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 217 ILE QG 75 no 100.0 100.0 0.441 0.441 0.000 11 2 no 0.005 0 0
1 218 VAL QG 32 no 100.0 100.0 6.762 6.762 0.000 17 4 no 0.000 0 0
1 219 GLU QB 193 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 219 GLU QG 236 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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