NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655484 |
6tv5   |
34473 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6tv5
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 218
_Stereo_assign_list.Swap_count 6
_Stereo_assign_list.Swap_percentage 2.8
_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 0.367
_Stereo_assign_list.Total_e_high_states 61.449
_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 VAL QG 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 6 VAL QG 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 PRO QB 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.048 0 0
1 7 PRO QD 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.061 0 0
1 8 SER QB 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 VAL QG 3 no 100.0 0.0 0.000 0.001 0.001 18 0 no 0.083 0 0
1 10 PHE QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 SER QB 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 SER QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 PRO QB 83 no 100.0 100.0 0.419 0.419 0.000 5 0 no 0.000 0 0
1 13 PRO QD 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 PRO QG 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 ASN QD 142 no 0.0 0.0 0.000 0.002 0.002 4 0 no 0.086 0 0
1 15 LEU QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 15 LEU QD 72 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.107 0 0
1 18 GLY QA 140 no 100.0 100.0 0.383 0.383 0.000 4 0 no 0.000 0 0
1 19 PHE QB 7 no 100.0 99.9 0.464 0.465 0.001 12 1 no 0.045 0 0
1 20 LEU QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 LEU QD 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 LEU QB 11 no 45.0 98.3 0.369 0.375 0.006 12 2 no 0.163 0 0
1 23 LEU QD 10 no 100.0 0.0 0.000 0.009 0.009 12 2 no 0.145 0 0
1 25 PHE QB 139 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.201 0 0
1 27 ILE QG 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 29 ASN QB 138 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.149 0 0
1 31 PRO QB 218 no 100.0 100.0 0.417 0.417 0.000 1 0 no 0.000 0 0
1 31 PRO QG 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.006 0 0
1 34 PRO QB 137 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.143 0 0
1 34 PRO QD 24 no 100.0 99.8 1.209 1.211 0.003 9 2 no 0.116 0 0
1 36 GLN QB 136 no 100.0 100.0 0.451 0.451 0.000 4 0 no 0.000 0 0
1 36 GLN QE 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 GLN QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 GLN QB 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 39 GLN QE 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.062 0 0
1 40 ASP QB 43 no 100.0 0.0 0.000 0.004 0.004 8 4 no 0.128 0 0
1 41 LEU QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 41 LEU QD 71 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.062 0 0
1 42 ASP QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.063 0 0
1 44 ILE QG 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.067 0 0
1 46 GLN QG 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 47 VAL QG 41 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.017 0 0
1 49 LEU QD 70 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.018 0 0
1 50 ASN QB 5 no 95.0 99.9 1.191 1.191 0.001 15 2 no 0.076 0 0
1 50 ASN QD 150 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 52 VAL QG 40 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.049 0 0
1 55 ASN QB 69 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.181 0 0
1 55 ASN QD 77 no 100.0 0.0 0.000 0.013 0.013 6 2 no 0.336 0 0
1 61 SER QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.020 0 0
1 63 ARG QB 68 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.090 0 0
1 63 ARG QG 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 GLN QB 47 no 100.0 99.4 1.184 1.192 0.007 7 0 no 0.179 0 0
1 65 GLN QE 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 67 LEU QD 1 no 100.0 99.9 7.625 7.631 0.007 22 2 no 0.113 0 0
1 68 SER QB 39 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 71 LEU QD 16 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.083 0 0
1 73 SER QB 38 no 100.0 100.0 1.933 1.934 0.001 8 0 no 0.054 0 0
1 75 LEU QB 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 75 LEU QD 37 no 100.0 100.0 4.965 4.965 0.000 8 0 no 0.000 0 0
1 77 ASP QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 78 LEU QB 76 no 100.0 100.0 1.165 1.165 0.000 6 2 no 0.016 0 0
1 78 LEU QD 45 no 100.0 0.0 0.000 0.004 0.004 8 6 no 0.128 0 0
1 79 LEU QD 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 ILE QG 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 82 GLU QB 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 GLU QG 67 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.086 0 0
1 83 SER QB 149 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 85 GLU QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.033 0 0
1 87 ASN QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 ASN QD 66 yes 90.0 97.9 0.261 0.267 0.006 6 0 no 0.180 0 0
1 88 TYR QB 23 no 100.0 99.9 2.948 2.953 0.004 9 2 no 0.126 0 0
1 89 ASN QD 196 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.089 0 0
1 90 ASN QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 ASN QD 82 yes 100.0 99.8 0.747 0.749 0.002 5 0 no 0.142 0 0
1 91 GLN QE 75 no 100.0 0.0 0.000 0.002 0.002 6 2 no 0.096 0 0
1 91 GLN QG 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 LEU QB 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 LEU QD 124 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.073 0 0
1 94 GLU QG 65 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.113 0 0
1 95 LEU QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 LEU QD 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 GLY QA 192 no 100.0 100.0 1.526 1.526 0.000 2 0 no 0.020 0 0
1 99 LEU QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 LEU QD 36 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.058 0 0
1 101 ASN QB 64 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 101 ASN QD 35 yes 100.0 98.1 1.258 1.283 0.024 8 0 no 0.219 0 0
1 102 CYS QB 18 no 100.0 100.0 1.086 1.086 0.000 10 1 no 0.025 0 0
1 103 PHE QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 105 GLN QG 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.046 0 0
1 108 GLY QA 122 no 100.0 100.0 2.398 2.398 0.000 4 0 no 0.034 0 0
1 109 SER QB 121 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.108 0 0
1 110 ASP QB 120 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.056 0 0
1 112 PRO QB 189 no 100.0 100.0 0.303 0.303 0.000 2 0 no 0.015 0 0
1 112 PRO QD 34 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.025 0 0
1 115 VAL QG 63 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.054 0 0
1 117 ARG QB 62 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.035 0 0
1 117 ARG QD 20 no 100.0 0.0 0.000 0.006 0.006 10 4 no 0.155 0 0
1 118 ILE QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 GLN QB 119 no 100.0 100.0 2.080 2.081 0.000 4 0 no 0.027 0 0
1 119 GLN QG 15 no 100.0 99.9 0.902 0.903 0.001 10 0 no 0.065 0 0
1 121 LEU QD 79 no 0.0 0.0 0.000 0.005 0.005 6 4 no 0.155 0 0
1 122 ILE QG 33 no 100.0 98.1 0.137 0.140 0.003 8 0 no 0.104 0 0
1 124 VAL QG 61 no 0.0 0.0 0.000 0.038 0.038 6 0 no 0.338 0 0
1 125 LEU QD 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 126 SER QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 127 GLN QB 117 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.103 0 0
1 127 GLN QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.043 0 0
1 130 ASP QB 116 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.133 0 0
1 131 VAL QG 185 no 100.0 0.0 0.000 0.005 0.005 2 0 no 0.132 0 0
1 133 ILE QG 184 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.150 0 0
1 134 ILE QG 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 3 VAL QG 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 6 VAL QG 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 7 PRO QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.084 0 0
2 7 PRO QD 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.041 0 0
2 8 SER QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 9 VAL QG 2 no 100.0 0.0 0.000 0.004 0.004 18 0 no 0.140 0 0
2 10 PHE QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 11 SER QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 12 SER QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 13 PRO QB 81 no 100.0 100.0 0.443 0.443 0.000 5 0 no 0.000 0 0
2 13 PRO QD 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 13 PRO QG 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 14 ASN QD 112 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.064 0 0
2 15 LEU QB 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 15 LEU QD 60 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.075 0 0
2 18 GLY QA 110 no 100.0 100.0 0.388 0.388 0.000 4 0 no 0.000 0 0
2 19 PHE QB 6 no 100.0 99.8 0.473 0.474 0.001 12 1 no 0.065 0 0
2 20 LEU QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 20 LEU QD 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
2 23 LEU QB 9 no 30.0 97.3 0.261 0.268 0.007 12 2 no 0.207 0 0
2 23 LEU QD 8 no 100.0 0.0 0.000 0.013 0.013 12 2 no 0.150 0 0
2 25 PHE QB 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 27 ILE QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 29 ASN QB 108 no 0.0 0.0 0.000 0.006 0.006 4 0 no 0.145 0 0
2 31 PRO QB 217 no 100.0 100.0 0.469 0.469 0.000 1 0 no 0.000 0 0
2 31 PRO QG 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.010 0 0
2 34 PRO QB 107 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.123 0 0
2 34 PRO QD 22 no 100.0 99.8 1.307 1.310 0.003 9 2 no 0.145 0 0
2 36 GLN QB 106 no 100.0 100.0 0.430 0.430 0.000 4 0 no 0.000 0 0
2 36 GLN QE 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.066 0 0
2 38 GLN QB 32 no 100.0 100.0 0.775 0.775 0.000 8 0 no 0.000 0 0
2 39 GLN QB 105 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 39 GLN QE 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.048 0 0
2 40 ASP QB 42 no 0.0 0.0 0.000 0.003 0.003 8 4 no 0.135 0 0
2 41 LEU QB 104 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 41 LEU QD 59 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.044 0 0
2 42 ASP QB 103 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.139 0 0
2 44 ILE QG 58 no 100.0 100.0 0.795 0.795 0.000 6 0 no 0.038 0 0
2 46 GLN QG 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.037 0 0
2 47 VAL QG 31 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 49 LEU QD 57 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 50 ASN QB 4 no 85.0 99.8 0.986 0.988 0.002 15 2 no 0.112 0 0
2 50 ASN QD 148 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 52 VAL QG 30 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.059 0 0
2 55 ASN QB 56 no 0.0 0.0 0.000 0.004 0.004 6 0 no 0.153 0 0
2 55 ASN QD 101 no 100.0 0.0 0.000 0.014 0.014 4 0 no 0.347 0 0
2 61 SER QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
2 63 ARG QB 55 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.042 0 0
2 63 ARG QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 65 GLN QB 46 no 100.0 99.7 1.259 1.263 0.004 7 0 no 0.122 0 0
2 65 GLN QE 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 67 LEU QD 54 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.038 0 0
2 68 SER QB 29 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 71 LEU QD 14 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.063 0 0
2 73 SER QB 28 no 100.0 100.0 2.139 2.140 0.001 8 0 no 0.047 0 0
2 75 LEU QB 100 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 77 ASP QB 99 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 78 LEU QB 74 no 100.0 100.0 1.165 1.165 0.000 6 2 no 0.000 0 0
2 78 LEU QD 44 no 0.0 0.0 0.000 0.003 0.003 8 6 no 0.135 0 0
2 79 LEU QB 98 no 100.0 100.0 0.639 0.640 0.000 4 0 no 0.035 0 0
2 79 LEU QD 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 80 ILE QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 82 GLU QB 97 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 82 GLU QG 53 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.035 0 0
2 83 SER QB 147 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 85 GLU QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.028 0 0
2 87 ASN QB 96 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 88 TYR QB 21 no 100.0 99.9 2.831 2.833 0.002 9 2 no 0.115 0 0
2 89 ASN QD 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.097 0 0
2 90 ASN QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 90 ASN QD 80 yes 100.0 99.7 0.698 0.701 0.002 5 0 no 0.163 0 0
2 91 GLN QE 73 no 100.0 0.0 0.000 0.004 0.004 6 2 no 0.144 0 0
2 91 GLN QG 95 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 92 LEU QB 94 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 92 LEU QD 93 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.094 0 0
2 94 GLU QG 13 no 100.0 99.7 0.878 0.880 0.002 10 0 no 0.095 0 0
2 95 LEU QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 95 LEU QD 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 97 GLY QA 159 no 100.0 100.0 1.268 1.268 0.000 2 0 no 0.000 0 0
2 99 LEU QB 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 99 LEU QD 27 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.050 0 0
2 101 ASN QB 52 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 101 ASN QD 26 yes 100.0 98.5 1.246 1.265 0.019 8 0 no 0.211 0 0
2 102 CYS QB 17 no 100.0 100.0 1.127 1.128 0.000 10 1 no 0.065 0 0
2 103 PHE QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 105 GLN QG 92 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 108 GLY QA 91 no 100.0 100.0 2.337 2.337 0.000 4 0 no 0.032 0 0
2 109 SER QB 90 no 0.0 0.0 0.000 0.003 0.003 4 0 no 0.118 0 0
2 110 ASP QB 89 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.045 0 0
2 112 PRO QB 156 no 100.0 99.9 0.303 0.303 0.000 2 0 no 0.068 0 0
2 112 PRO QD 25 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.044 0 0
2 115 VAL QG 51 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 117 ARG QB 50 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.051 0 0
2 117 ARG QD 19 no 100.0 0.0 0.000 0.004 0.004 10 4 no 0.167 0 0
2 118 ILE QG 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 119 GLN QB 88 no 100.0 100.0 2.015 2.015 0.000 4 0 no 0.013 0 0
2 119 GLN QG 12 no 100.0 99.9 0.993 0.994 0.001 10 0 no 0.062 0 0
2 121 LEU QD 78 no 95.0 0.0 0.000 0.002 0.002 6 4 no 0.082 0 0
2 122 ILE QG 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 124 VAL QG 49 no 0.0 0.0 0.000 0.029 0.029 6 0 no 0.308 0 0
2 125 LEU QD 86 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.028 0 0
2 126 SER QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 127 GLN QB 85 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.106 0 0
2 127 GLN QG 153 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.123 0 0
2 130 ASP QB 84 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.207 0 0
2 131 VAL QG 146 no 100.0 0.0 0.000 0.012 0.012 4 2 no 0.167 0 0
2 132 ASN QD 48 yes 100.0 96.2 0.434 0.451 0.017 7 2 no 0.230 0 0
2 133 ILE QG 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 134 ILE QG 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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