NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567421 |
2m5d   |
19048 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2m5d
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 258
_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 0.118
_Stereo_assign_list.Total_e_high_states 325.476
_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 4 VAL QG 257 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 LYS QB 229 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.067 0 0
1 6 LYS QG 256 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 VAL QG 91 no 100.0 0.0 0.000 0.021 0.021 14 0 no 0.156 0 0
1 9 ILE QG 12 no 100.0 99.8 2.016 2.020 0.004 25 3 no 0.088 0 0
1 10 LYS QB 21 no 100.0 99.9 4.886 4.892 0.005 23 4 no 0.064 0 0
1 10 LYS QG 120 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 11 ASN QB 169 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.019 0 0
1 11 ASN QD 168 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 12 GLU QB 228 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 GLY QA 83 no 100.0 99.9 1.808 1.809 0.001 15 4 no 0.061 0 0
1 16 ILE QG 26 no 100.0 100.0 4.958 4.958 0.000 22 5 no 0.030 0 0
1 17 SER QB 150 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.004 0 0
1 18 ILE QG 54 no 100.0 100.0 2.548 2.548 0.000 18 2 no 0.025 0 0
1 19 SER QB 112 no 100.0 0.0 0.000 0.001 0.001 12 2 no 0.043 0 0
1 20 GLN QB 106 no 100.0 99.9 3.077 3.079 0.003 12 0 no 0.087 0 0
1 21 LEU QB 37 no 100.0 100.0 3.548 3.549 0.002 21 6 no 0.098 0 0
1 21 LEU QD 73 no 0.0 0.0 0.000 0.005 0.005 16 6 no 0.093 0 0
1 22 ASN QB 193 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 24 ASN QB 227 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.012 0 0
1 25 VAL QG 53 no 100.0 0.0 0.000 0.001 0.001 18 2 no 0.037 0 0
1 26 TRP QB 4 no 100.0 100.0 4.684 4.684 0.001 28 2 no 0.071 0 0
1 27 VAL QG 6 no 100.0 100.0 29.813 29.813 0.001 27 6 no 0.047 0 0
1 28 HIS QB 25 no 100.0 100.0 6.341 6.342 0.001 22 5 no 0.054 0 0
1 30 GLU QB 82 no 100.0 100.0 1.352 1.352 0.000 15 3 no 0.031 0 0
1 30 GLU QG 258 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 31 LEU QB 55 no 100.0 100.0 2.097 2.097 0.000 18 4 no 0.016 0 0
1 31 LEU QD 46 no 95.0 0.0 0.000 0.001 0.001 20 6 no 0.120 0 0
1 32 GLY QA 226 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 33 SER QB 192 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 34 PHE QB 191 no 40.0 98.9 0.056 0.057 0.001 6 0 no 0.043 0 0
1 35 ASN QB 225 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 35 ASN QD 255 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 GLU QB 254 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 GLU QG 224 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 39 VAL QG 71 no 0.0 0.0 0.000 0.001 0.001 16 4 no 0.072 0 0
1 40 PRO QB 167 no 100.0 100.0 1.759 1.759 0.000 8 0 no 0.035 0 0
1 40 PRO QD 86 no 100.0 100.0 0.726 0.726 0.000 15 6 no 0.009 0 0
1 40 PRO QG 124 no 100.0 99.9 0.883 0.884 0.001 11 0 no 0.064 0 0
1 41 SER QB 99 no 100.0 100.0 4.701 4.702 0.001 13 0 no 0.045 0 0
1 42 ASN QB 223 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 42 ASN QD 253 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 GLY QA 127 no 100.0 100.0 1.325 1.325 0.000 11 2 no 0.039 0 0
1 44 LEU QB 14 no 100.0 100.0 4.435 4.435 0.000 25 7 no 0.040 0 0
1 45 VAL QG 111 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 46 LEU QB 7 no 100.0 100.0 3.550 3.551 0.001 27 8 no 0.059 0 0
1 46 LEU QD 72 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.018 0 0
1 47 ASN QB 166 no 100.0 0.0 0.000 0.007 0.007 8 0 no 0.144 0 0
1 47 ASN QD 252 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.087 0 0
1 50 LYS QB 92 no 100.0 100.0 2.898 2.898 0.000 14 1 no 0.007 0 0
1 50 LYS QG 176 no 0.0 0.0 0.000 0.000 0.000 8 4 no 0.025 0 0
1 51 GLY QA 142 no 0.0 0.0 0.000 0.000 0.000 10 2 no 0.025 0 0
1 52 LEU QB 20 no 100.0 100.0 0.856 0.856 0.000 23 4 no 0.000 0 0
1 52 LEU QD 1 no 100.0 0.0 0.000 0.000 0.000 38 14 no 0.037 0 0
1 53 VAL QG 9 no 0.0 0.0 0.000 0.001 0.001 26 4 no 0.059 0 0
1 54 LEU QB 15 no 100.0 100.0 2.961 2.962 0.001 24 6 no 0.046 0 0
1 54 LEU QD 175 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.033 0 0
1 55 VAL QG 141 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 56 ASP QB 165 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 57 SER QB 149 no 100.0 0.0 0.000 0.005 0.005 10 4 no 0.090 0 0
1 58 SER QB 222 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 60 ASP QB 190 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.013 0 0
1 61 ASP QB 251 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 LYS QG 189 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 63 LEU QB 119 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 63 LEU QD 96 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 65 LYS QB 164 no 100.0 99.8 1.952 1.956 0.005 8 0 no 0.092 0 0
1 65 LYS QG 221 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 GLU QB 109 no 100.0 100.0 2.232 2.232 0.000 12 1 no 0.018 0 0
1 66 GLU QG 250 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 67 LEU QB 61 no 100.0 100.0 3.873 3.873 0.000 17 5 no 0.000 0 0
1 67 LEU QD 18 no 100.0 0.0 0.000 0.000 0.000 24 10 no 0.007 0 0
1 68 ILE QG 80 no 100.0 100.0 1.044 1.044 0.000 15 2 no 0.000 0 0
1 70 MET QG 135 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.019 0 0
1 71 VAL QG 70 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.040 0 0
1 72 GLU QB 220 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 72 GLU QG 134 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 73 LYS QG 249 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 LYS QB 188 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.043 0 0
1 74 LYS QD 248 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.097 0 0
1 74 LYS QE 97 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.067 0 0
1 74 LYS QG 148 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.067 0 0
1 75 PHE QB 147 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 76 GLN QE 121 no 100.0 100.0 2.121 2.122 0.001 12 6 no 0.055 0 0
1 76 GLN QG 195 no 100.0 100.0 3.967 3.967 0.000 6 1 no 0.000 0 0
1 77 LYS QB 16 no 100.0 100.0 6.413 6.413 0.000 24 7 no 0.025 0 0
1 77 LYS QG 66 no 100.0 100.0 0.400 0.400 0.000 16 2 no 0.032 0 0
1 78 ARG QG 247 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 VAL QG 163 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 82 VAL QG 93 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.000 0 0
1 83 ILE QG 65 no 100.0 100.0 0.543 0.543 0.000 16 2 no 0.010 0 0
1 84 ILE QG 187 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 86 HIS QB 197 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.022 0 0
1 88 HIS QB 90 no 100.0 100.0 0.682 0.682 0.000 14 0 no 0.005 0 0
1 90 ASP QB 186 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.014 0 0
1 91 ARG QB 219 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.064 0 0
1 92 ILE QG 48 no 100.0 100.0 3.993 3.993 0.000 19 0 no 0.014 0 0
1 93 GLY QA 63 no 100.0 100.0 0.575 0.575 0.000 16 0 no 0.022 0 0
1 94 GLY QA 98 no 100.0 100.0 1.378 1.378 0.000 13 0 no 0.000 0 0
1 96 LYS QB 162 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 96 LYS QG 172 no 0.0 0.0 0.000 0.002 0.002 8 2 no 0.132 0 0
1 98 LEU QB 35 no 100.0 100.0 1.022 1.022 0.000 21 4 no 0.028 0 0
1 98 LEU QD 17 no 100.0 0.0 0.000 0.000 0.000 24 8 no 0.031 0 0
1 99 LYS QB 202 no 100.0 100.0 3.264 3.265 0.000 5 1 no 0.031 0 0
1 99 LYS QG 218 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 GLU QB 136 no 100.0 100.0 0.365 0.365 0.000 10 1 no 0.006 0 0
1 100 GLU QG 69 no 100.0 100.0 2.064 2.065 0.001 16 4 no 0.065 0 0
1 101 ARG QB 246 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 ARG QD 105 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.010 0 0
1 101 ARG QG 123 no 100.0 100.0 2.247 2.247 0.000 11 0 no 0.004 0 0
1 103 ILE QG 89 no 100.0 100.0 2.578 2.578 0.000 14 0 no 0.000 0 0
1 104 LYS QB 50 no 100.0 99.9 3.903 3.906 0.003 19 2 no 0.087 0 0
1 104 LYS QG 245 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 HIS QB 8 no 100.0 100.0 4.885 4.886 0.001 26 4 no 0.056 0 0
1 107 SER QB 146 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.017 0 0
1 110 LEU QB 84 no 100.0 100.0 2.991 2.991 0.000 15 5 no 0.007 0 0
1 110 LEU QD 145 no 100.0 99.8 0.189 0.189 0.000 10 4 no 0.031 0 0
1 113 GLU QB 39 no 100.0 100.0 3.170 3.170 0.000 20 3 no 0.042 0 0
1 114 LEU QB 161 no 100.0 100.0 1.814 1.814 0.000 8 0 no 0.028 0 0
1 114 LEU QD 233 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.012 0 0
1 116 LYS QB 170 no 100.0 100.0 1.466 1.466 0.000 8 1 no 0.000 0 0
1 116 LYS QG 118 no 100.0 100.0 1.722 1.722 0.000 12 4 no 0.000 0 0
1 117 LYS QG 244 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
1 118 ASN QB 100 no 100.0 100.0 2.046 2.046 0.000 13 2 no 0.003 0 0
1 118 ASN QD 126 no 100.0 100.0 0.969 0.969 0.000 11 1 no 0.002 0 0
1 119 GLY QA 230 no 100.0 100.0 1.053 1.053 0.000 4 1 no 0.000 0 0
1 120 TYR QB 49 no 100.0 100.0 2.085 2.085 0.000 19 1 no 0.008 0 0
1 121 GLU QB 185 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 122 GLU QB 154 no 100.0 100.0 1.532 1.532 0.000 9 2 no 0.007 0 0
1 122 GLU QG 27 no 100.0 100.0 2.759 2.759 0.000 22 7 no 0.003 0 0
1 123 PRO QB 30 no 100.0 100.0 1.400 1.400 0.000 21 2 no 0.024 0 0
1 123 PRO QD 13 no 100.0 99.9 3.406 3.410 0.004 25 5 no 0.069 0 0
1 123 PRO QG 29 no 100.0 100.0 0.914 0.914 0.000 21 2 no 0.034 0 0
1 124 LEU QB 95 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.018 0 0
1 124 LEU QD 56 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.004 0 0
1 125 GLY QA 133 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.010 0 0
1 126 ASP QB 217 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 127 LEU QB 243 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 127 LEU QD 140 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 128 GLN QB 196 no 100.0 100.0 1.176 1.176 0.000 6 2 no 0.000 0 0
1 128 GLN QE 232 no 100.0 100.0 1.355 1.355 0.000 4 2 no 0.000 0 0
1 128 GLN QG 104 no 100.0 100.0 2.905 2.905 0.000 12 0 no 0.000 0 0
1 130 VAL QG 139 no 100.0 0.0 0.000 0.001 0.001 10 2 no 0.059 0 0
1 132 ASN QB 160 no 100.0 100.0 1.560 1.560 0.000 8 0 no 0.000 0 0
1 132 ASN QD 231 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 133 LEU QB 44 no 100.0 100.0 0.409 0.409 0.000 20 4 no 0.000 0 0
1 133 LEU QD 43 no 100.0 0.0 0.000 0.002 0.002 20 4 no 0.050 0 0
1 134 LYS QB 184 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.004 0 0
1 134 LYS QG 216 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 135 PHE QB 128 no 100.0 100.0 1.865 1.865 0.000 11 3 no 0.009 0 0
1 136 GLY QA 174 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.025 0 0
1 138 MET QB 19 no 100.0 100.0 2.648 2.648 0.000 23 2 no 0.026 0 0
1 139 LYS QB 129 no 100.0 100.0 0.587 0.587 0.000 11 4 no 0.023 0 0
1 139 LYS QG 108 no 100.0 100.0 1.185 1.185 0.000 12 1 no 0.027 0 0
1 140 VAL QG 138 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.021 0 0
1 141 GLU QB 183 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.016 0 0
1 141 GLU QG 34 no 100.0 100.0 2.403 2.403 0.000 21 4 no 0.024 0 0
1 143 PHE QB 32 no 100.0 100.0 3.115 3.115 0.000 21 3 no 0.027 0 0
1 144 TYR QB 103 no 100.0 100.0 1.211 1.211 0.000 12 0 no 0.023 0 0
1 145 PRO QB 153 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.006 0 0
1 145 PRO QD 36 no 100.0 100.0 1.980 1.980 0.000 21 5 no 0.021 0 0
1 145 PRO QG 57 no 100.0 100.0 0.655 0.655 0.000 18 7 no 0.000 0 0
1 146 GLY QA 182 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 147 LYS QD 47 no 100.0 99.9 2.122 2.123 0.002 20 8 no 0.061 0 0
1 147 LYS QG 215 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 148 GLY QA 242 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 GLU QB 67 no 100.0 100.0 3.619 3.620 0.000 16 3 no 0.027 0 0
1 151 GLU QG 31 no 100.0 99.9 3.963 3.967 0.004 21 3 no 0.077 0 0
1 152 ASP QB 159 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.007 0 0
1 153 ASN QB 102 no 100.0 100.0 1.488 1.489 0.000 13 4 no 0.014 0 0
1 153 ASN QD 181 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 154 ILE QG 214 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 155 VAL QG 117 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 156 VAL QG 132 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.053 0 0
1 157 TRP QB 52 no 100.0 100.0 1.571 1.571 0.000 18 1 no 0.000 0 0
1 158 LEU QB 78 no 100.0 100.0 3.680 3.681 0.001 15 0 no 0.036 0 0
1 158 LEU QD 158 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.030 0 0
1 159 PRO QB 213 no 100.0 100.0 2.447 2.447 0.000 4 0 no 0.000 0 0
1 159 PRO QD 51 no 100.0 100.0 2.732 2.733 0.000 19 3 no 0.024 0 0
1 159 PRO QG 94 no 100.0 100.0 3.355 3.355 0.000 14 4 no 0.023 0 0
1 160 GLN QB 116 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 160 GLN QE 200 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.024 0 0
1 160 GLN QG 212 no 0.0 0.0 0.000 0.001 0.001 4 0 no 0.117 0 0
1 161 TYR QB 58 no 100.0 100.0 1.351 1.351 0.000 17 1 no 0.000 0 0
1 162 ASN QB 22 no 100.0 100.0 3.463 3.463 0.000 22 3 no 0.026 0 0
1 162 ASN QD 236 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.021 0 0
1 163 ILE QG 125 no 100.0 100.0 0.264 0.264 0.000 11 1 no 0.000 0 0
1 164 LEU QB 33 no 100.0 100.0 1.560 1.560 0.000 21 4 no 0.025 0 0
1 164 LEU QD 23 no 100.0 0.0 0.000 0.000 0.000 22 4 no 0.001 0 0
1 165 VAL QG 68 no 100.0 100.0 6.745 6.745 0.000 16 4 no 0.016 0 0
1 166 GLY QA 24 no 100.0 100.0 2.071 2.071 0.000 22 5 no 0.021 0 0
1 168 CYS QB 241 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 169 LEU QB 85 no 100.0 100.0 1.589 1.589 0.000 15 6 no 0.007 0 0
1 169 LEU QD 2 no 100.0 0.0 0.000 0.000 0.000 32 12 no 0.038 0 0
1 170 VAL QG 211 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 171 LYS QB 79 no 100.0 100.0 1.518 1.518 0.000 15 2 no 0.014 0 0
1 171 LYS QE 171 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.007 0 0
1 171 LYS QG 77 no 100.0 100.0 2.309 2.309 0.000 15 0 no 0.005 0 0
1 172 SER QB 144 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.002 0 0
1 174 SER QB 210 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 176 LYS QB 240 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 176 LYS QG 209 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 177 ASP QB 180 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.010 0 0
1 178 LEU QD 42 no 0.0 0.0 0.000 0.000 0.000 20 4 no 0.010 0 0
1 180 ASN QB 208 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.029 0 0
1 181 VAL QG 3 no 100.0 100.0 29.693 29.693 0.000 28 2 no 0.054 0 0
1 183 ASP QB 207 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 185 TYR QB 60 no 100.0 100.0 2.192 2.192 0.000 17 4 no 0.000 0 0
1 186 VAL QG 131 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.003 0 0
1 187 ASN QD 239 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 188 GLU QB 137 no 100.0 100.0 2.278 2.278 0.000 10 2 no 0.023 0 0
1 188 GLU QG 130 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.024 0 0
1 189 TRP QB 41 no 100.0 100.0 3.422 3.422 0.000 20 4 no 0.002 0 0
1 192 SER QB 11 no 100.0 100.0 0.847 0.847 0.000 26 10 no 0.025 0 0
1 193 ILE QG 38 no 100.0 100.0 1.416 1.416 0.000 20 1 no 0.005 0 0
1 194 GLU QB 206 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 194 GLU QG 199 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 195 ASN QB 10 no 100.0 100.0 4.472 4.472 0.000 26 6 no 0.021 0 0
1 195 ASN QD 107 no 100.0 100.0 4.337 4.337 0.000 12 1 no 0.005 0 0
1 196 VAL QG 88 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.000 0 0
1 197 LEU QB 101 no 100.0 100.0 3.264 3.264 0.000 13 4 no 0.009 0 0
1 197 LEU QD 59 no 100.0 100.0 7.514 7.514 0.000 17 4 no 0.003 0 0
1 198 LYS QG 205 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.032 0 0
1 199 ARG QB 179 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 199 ARG QD 204 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.011 0 0
1 199 ARG QG 203 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 200 TYR QB 81 no 100.0 100.0 4.183 4.183 0.000 15 3 no 0.007 0 0
1 201 ARG QB 178 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 202 ASN QB 152 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.021 0 0
1 202 ASN QD 238 no 100.0 100.0 3.011 3.011 0.000 2 0 no 0.007 0 0
1 203 ILE QG 62 no 100.0 100.0 8.106 8.106 0.000 17 6 no 0.026 0 0
1 206 VAL QG 157 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 207 VAL QG 115 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 208 PRO QB 114 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.008 0 0
1 208 PRO QD 122 no 100.0 0.0 0.000 0.001 0.001 12 8 no 0.050 0 0
1 208 PRO QG 235 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 209 GLY QA 201 no 100.0 99.7 1.574 1.579 0.005 5 1 no 0.107 0 0
1 210 HIS QB 194 no 100.0 99.4 0.874 0.880 0.005 6 1 no 0.107 0 0
1 211 GLY QA 237 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 213 VAL QG 75 no 25.0 100.0 0.275 0.275 0.000 16 8 no 0.026 0 0
1 214 GLY QA 110 no 100.0 100.0 5.611 5.611 0.000 12 2 no 0.047 0 0
1 215 ASP QB 177 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.016 0 0
1 216 LYS QB 76 no 100.0 100.0 0.612 0.612 0.000 15 0 no 0.016 0 0
1 217 GLY QA 64 no 100.0 100.0 2.607 2.608 0.001 16 2 no 0.036 0 0
1 218 LEU QB 234 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 218 LEU QD 28 no 100.0 0.0 0.000 0.000 0.000 22 14 no 0.050 0 0
1 219 LEU QB 143 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 219 LEU QD 113 no 0.0 0.0 0.000 0.000 0.000 12 4 no 0.020 0 0
1 220 LEU QB 198 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 220 LEU QD 151 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 221 HIS QB 87 no 100.0 100.0 0.559 0.559 0.000 14 0 no 0.008 0 0
1 223 LEU QB 173 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.004 0 0
1 223 LEU QD 74 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.002 0 0
1 224 ASP QB 156 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 225 LEU QB 45 no 100.0 100.0 1.320 1.320 0.000 20 6 no 0.007 0 0
1 225 LEU QD 40 no 100.0 0.0 0.000 0.000 0.000 20 4 no 0.001 0 0
1 226 LEU QD 5 no 100.0 0.0 0.000 0.000 0.000 28 4 no 0.020 0 0
1 227 LYS QG 155 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.004 0 0
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