NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549639 |
2lyy   |
18733 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lyy
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 222
_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 0.797
_Stereo_assign_list.Total_e_high_states 140.902
_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 ASN QD 222 no 100.0 0.0 0.000 0.012 0.012 2 0 no 0.206 0 0
1 4 GLU QB 221 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.083 0 0
1 5 ASN QD 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.036 0 0
1 8 TYR QB 70 no 100.0 100.0 0.951 0.951 0.000 9 0 no 0.011 0 0
1 10 ARG QB 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 ARG QD 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 ARG QG 217 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.149 0 0
1 13 GLU QG 17 no 100.0 98.6 0.732 0.742 0.010 21 6 no 0.242 0 0
1 14 LEU QB 32 no 100.0 100.0 1.835 1.836 0.000 15 0 no 0.040 0 0
1 15 ILE QG 76 no 100.0 100.0 3.276 3.277 0.000 9 2 no 0.035 0 0
1 16 LYS QG 84 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.080 0 0
1 17 LEU QB 120 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 17 LEU QD 12 no 100.0 0.0 0.000 0.005 0.005 22 4 no 0.167 0 0
1 19 ASN QB 83 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 19 ASN QD 216 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.093 0 0
1 20 GLN QE 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.039 0 0
1 20 GLN QG 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 21 GLN QB 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 GLN QE 5 no 100.0 100.0 2.324 2.325 0.001 25 4 no 0.045 0 0
1 21 GLN QG 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 22 ASN QB 128 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 22 ASN QD 26 no 100.0 99.9 1.186 1.187 0.001 16 4 no 0.065 0 0
1 23 GLN QB 213 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.033 0 0
1 23 GLN QE 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.049 0 0
1 23 GLN QG 82 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.082 0 0
1 24 ASN QB 44 no 100.0 98.1 1.209 1.233 0.024 13 5 no 0.214 0 0
1 24 ASN QD 11 no 100.0 98.9 1.716 1.735 0.019 23 10 no 0.195 0 0
1 26 GLU QG 90 no 100.0 0.0 0.000 0.009 0.009 8 4 no 0.137 0 0
1 27 ILE QG 21 no 100.0 99.9 2.105 2.107 0.002 17 7 no 0.123 0 0
1 28 GLN QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 28 GLN QE 211 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.158 0 0
1 28 GLN QG 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 GLY QA 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 GLU QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.044 0 0
1 31 GLU QG 119 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.193 0 0
1 32 VAL QG 14 no 100.0 0.0 0.000 0.000 0.000 22 8 no 0.065 0 0
1 33 SER QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 SER QB 208 no 0.0 0.0 0.000 0.002 0.002 2 0 no 0.122 0 0
1 36 PHE QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 TRP QB 51 no 100.0 99.6 0.720 0.723 0.003 12 0 no 0.082 0 0
1 40 LEU QB 118 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 40 LEU QD 2 no 100.0 0.0 0.000 0.001 0.001 28 4 no 0.086 0 0
1 42 ARG QD 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.018 0 0
1 43 TYR QB 59 no 100.0 100.0 2.023 2.023 0.000 11 2 no 0.053 0 0
1 44 ASN QB 89 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.052 0 0
1 44 ASN QD 55 no 100.0 99.1 1.516 1.529 0.013 12 4 no 0.190 0 0
1 48 GLY QA 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 SER QB 161 no 100.0 0.0 0.000 0.017 0.017 4 0 no 0.250 0 0
1 52 PHE QB 24 no 100.0 99.6 2.074 2.081 0.007 16 3 no 0.153 0 0
1 53 GLU QB 86 no 100.0 99.9 1.864 1.865 0.001 8 1 no 0.072 0 0
1 53 GLU QG 40 no 100.0 98.6 0.711 0.721 0.010 13 3 no 0.249 0 0
1 55 LYS QB 31 no 100.0 99.9 3.430 3.432 0.002 15 0 no 0.095 0 0
1 55 LYS QD 34 no 90.0 99.9 3.117 3.120 0.003 14 0 no 0.132 0 0
1 55 LYS QE 127 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.082 0 0
1 55 LYS QG 9 no 100.0 100.0 1.917 1.918 0.001 23 4 no 0.060 0 0
1 56 GLU QB 117 no 100.0 100.0 0.293 0.293 0.000 6 0 no 0.040 0 0
1 56 GLU QG 116 no 100.0 0.0 0.000 0.007 0.007 6 0 no 0.187 0 0
1 57 GLN QB 61 no 100.0 99.9 0.805 0.806 0.001 11 3 no 0.074 0 0
1 57 GLN QE 46 no 100.0 99.9 1.837 1.840 0.002 13 8 no 0.084 0 0
1 57 GLN QG 68 no 100.0 99.7 1.377 1.381 0.004 10 2 no 0.090 0 0
1 58 MET QB 50 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.047 0 0
1 58 MET QG 53 no 100.0 99.6 1.706 1.713 0.007 12 1 no 0.112 0 0
1 59 GLN QB 67 no 100.0 99.8 0.764 0.765 0.002 10 2 no 0.121 0 0
1 59 GLN QE 37 no 100.0 99.7 1.835 1.841 0.006 14 4 no 0.151 0 0
1 59 GLN QG 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 LYS QB 74 no 100.0 99.9 0.570 0.571 0.001 9 1 no 0.099 0 0
1 61 LYS QD 115 no 100.0 0.0 0.000 0.012 0.012 6 0 no 0.195 0 0
1 61 LYS QG 160 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.118 0 0
1 62 LYS QB 92 no 100.0 98.7 0.770 0.780 0.010 7 0 no 0.172 0 0
1 62 LYS QD 159 no 100.0 0.0 0.000 0.010 0.010 4 0 no 0.295 0 0
1 63 GLN QE 19 no 100.0 95.0 0.393 0.414 0.021 17 0 no 0.197 0 0
1 64 GLU QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 64 GLU QG 157 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.143 0 0
1 65 MET QB 131 no 100.0 100.0 0.327 0.327 0.000 5 0 no 0.044 0 0
1 65 MET QG 57 no 100.0 100.0 1.837 1.838 0.001 11 1 no 0.099 0 0
1 66 MET QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 MET QG 7 no 100.0 99.7 6.256 6.277 0.021 23 2 no 0.175 0 0
1 68 TYR QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 69 TYR QB 168 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.013 0 0
1 70 MET QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 MET QG 30 no 100.0 99.9 4.579 4.582 0.003 15 0 no 0.090 0 0
1 71 ASP QB 114 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.161 0 0
1 72 ARG QD 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 ARG QG 113 no 100.0 0.0 0.000 0.013 0.013 6 0 no 0.358 0 0
1 73 TYR QB 112 no 100.0 99.5 1.570 1.579 0.009 6 0 no 0.145 0 0
1 74 LYS QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 75 GLU QB 111 no 100.0 98.9 0.354 0.358 0.004 6 0 no 0.121 0 0
1 75 GLU QG 110 no 100.0 0.0 0.000 0.008 0.008 6 0 no 0.269 0 0
1 76 MET QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 MET QG 63 no 100.0 100.0 0.675 0.676 0.000 10 0 no 0.067 0 0
1 77 LEU QB 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 77 LEU QD 16 no 100.0 0.0 0.000 0.000 0.000 22 10 no 0.018 0 0
1 80 ASN QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 ASN QD 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 MET QB 153 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.156 0 0
1 82 GLU QB 198 no 100.0 0.0 0.000 0.028 0.028 2 0 no 0.262 0 0
1 82 GLU QG 197 no 100.0 0.0 0.000 0.011 0.011 2 0 no 0.280 0 0
1 83 ASP QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 ILE QG 73 no 100.0 99.4 2.615 2.630 0.015 9 1 no 0.435 0 0
1 86 GLU QB 124 no 100.0 99.9 0.896 0.897 0.001 6 3 no 0.062 0 0
1 87 ASN QB 36 no 100.0 100.0 1.726 1.727 0.001 14 1 no 0.075 0 0
1 87 ASN QD 42 no 100.0 99.8 1.989 1.993 0.004 13 4 no 0.111 0 0
1 88 PHE QB 122 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.047 0 0
1 89 ASP QB 152 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.145 0 0
1 90 HIS QB 108 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.109 0 0
1 91 TYR QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 92 ARG QB 81 no 100.0 0.0 0.000 0.005 0.005 8 0 no 0.225 0 0
1 92 ARG QG 107 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.061 0 0
1 95 GLN QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 GLN QE 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.041 0 0
1 96 LYS QB 149 no 100.0 98.5 0.526 0.534 0.008 4 0 no 0.193 0 0
2 3 ASN QD 194 no 100.0 0.0 0.000 0.011 0.011 2 0 no 0.183 0 0
2 4 GLU QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.048 0 0
2 5 ASN QD 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.037 0 0
2 8 TYR QB 69 no 100.0 100.0 1.094 1.094 0.000 9 0 no 0.039 0 0
2 10 ARG QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 10 ARG QD 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 10 ARG QG 189 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.134 0 0
2 13 GLU QG 49 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.053 0 0
2 14 LEU QB 29 no 100.0 100.0 1.714 1.714 0.000 15 0 no 0.023 0 0
2 15 ILE QG 75 no 100.0 100.0 3.057 3.058 0.001 9 2 no 0.061 0 0
2 16 LYS QG 80 no 100.0 0.0 0.000 0.007 0.007 8 0 no 0.198 0 0
2 17 LEU QB 106 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 17 LEU QD 4 no 100.0 0.0 0.000 0.006 0.006 26 8 no 0.134 0 0
2 19 ASN QB 79 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.049 0 0
2 19 ASN QD 188 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.102 0 0
2 20 GLN QE 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 20 GLN QG 130 no 100.0 99.7 1.293 1.297 0.004 5 0 no 0.184 0 0
2 21 GLN QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 21 GLN QE 3 no 100.0 100.0 2.563 2.564 0.001 27 8 no 0.045 0 0
2 21 GLN QG 22 no 100.0 99.9 5.592 5.598 0.006 16 2 no 0.111 0 0
2 22 ASN QB 126 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 22 ASN QD 25 no 100.0 99.9 1.195 1.195 0.001 16 4 no 0.035 0 0
2 23 GLN QB 169 no 95.0 97.8 0.442 0.452 0.010 3 0 no 0.426 0 0
2 23 GLN QE 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.074 0 0
2 23 GLN QG 78 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.076 0 0
2 24 ASN QB 43 no 100.0 98.3 1.239 1.260 0.021 13 5 no 0.186 0 0
2 24 ASN QD 10 no 100.0 98.6 1.849 1.875 0.026 23 10 no 0.274 0 0
2 26 GLU QG 88 no 100.0 0.0 0.000 0.010 0.010 8 4 no 0.139 0 0
2 27 ILE QG 20 no 100.0 99.9 1.952 1.955 0.003 17 7 no 0.094 0 0
2 28 GLN QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 28 GLN QE 185 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.117 0 0
2 28 GLN QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 30 GLY QA 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 31 GLU QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
2 31 GLU QG 105 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.092 0 0
2 32 VAL QG 13 no 100.0 0.0 0.000 0.000 0.000 22 8 no 0.025 0 0
2 33 SER QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 35 SER QB 182 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.094 0 0
2 36 PHE QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 38 TRP QB 48 no 100.0 99.6 0.693 0.696 0.003 12 0 no 0.070 0 0
2 40 LEU QB 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 40 LEU QD 1 no 100.0 0.0 0.000 0.001 0.001 28 4 no 0.082 0 0
2 42 ARG QD 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.023 0 0
2 43 TYR QB 58 no 100.0 99.9 2.098 2.101 0.002 11 2 no 0.161 0 0
2 44 ASN QB 87 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.057 0 0
2 44 ASN QD 54 no 100.0 99.1 1.526 1.539 0.013 12 4 no 0.185 0 0
2 48 GLY QA 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 51 SER QB 144 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.237 0 0
2 52 PHE QB 23 no 100.0 99.5 2.117 2.127 0.010 16 3 no 0.180 0 0
2 53 GLU QB 85 no 100.0 100.0 1.798 1.798 0.001 8 1 no 0.079 0 0
2 53 GLU QG 39 no 100.0 100.0 0.679 0.679 0.000 13 3 no 0.060 0 0
2 55 LYS QB 28 no 100.0 100.0 3.504 3.505 0.001 15 0 no 0.103 0 0
2 55 LYS QD 33 no 100.0 99.9 3.254 3.257 0.003 14 0 no 0.095 0 0
2 55 LYS QE 125 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.060 0 0
2 55 LYS QG 8 no 100.0 99.9 1.969 1.970 0.001 23 4 no 0.074 0 0
2 56 GLU QB 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.024 0 0
2 56 GLU QG 102 no 100.0 0.0 0.000 0.008 0.008 6 0 no 0.179 0 0
2 57 GLN QB 60 no 100.0 99.9 0.806 0.808 0.001 11 3 no 0.066 0 0
2 57 GLN QE 45 no 100.0 99.9 1.836 1.838 0.002 13 8 no 0.072 0 0
2 57 GLN QG 66 no 100.0 99.7 1.347 1.351 0.004 10 2 no 0.098 0 0
2 58 MET QB 47 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.058 0 0
2 58 MET QG 52 no 100.0 99.5 1.844 1.853 0.009 12 1 no 0.128 0 0
2 59 GLN QB 65 no 100.0 99.6 0.714 0.716 0.003 10 2 no 0.095 0 0
2 59 GLN QE 38 no 100.0 99.4 1.620 1.630 0.010 14 6 no 0.345 0 0
2 59 GLN QG 64 no 100.0 98.3 0.752 0.765 0.013 10 2 no 0.345 0 0
2 61 LYS QB 72 no 100.0 98.4 0.676 0.686 0.011 9 1 no 0.391 0 0
2 61 LYS QD 101 no 0.0 0.0 0.000 0.011 0.011 6 0 no 0.257 0 0
2 61 LYS QG 143 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.165 0 0
2 62 LYS QB 91 no 100.0 98.7 0.796 0.806 0.010 7 0 no 0.187 0 0
2 62 LYS QD 142 no 100.0 0.0 0.000 0.018 0.018 4 0 no 0.322 0 0
2 63 GLN QE 18 no 100.0 93.7 0.369 0.393 0.025 17 0 no 0.231 0 0
2 64 GLU QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 64 GLU QG 140 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.161 0 0
2 65 MET QB 129 no 100.0 100.0 0.310 0.310 0.000 5 0 no 0.029 0 0
2 65 MET QG 56 no 100.0 100.0 1.870 1.871 0.001 11 1 no 0.068 0 0
2 66 MET QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 66 MET QG 6 no 100.0 99.7 6.936 6.960 0.023 23 2 no 0.177 0 0
2 68 TYR QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 69 TYR QB 167 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 70 MET QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 70 MET QG 27 no 100.0 99.9 4.121 4.124 0.003 15 0 no 0.104 0 0
2 71 ASP QB 100 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.132 0 0
2 72 ARG QD 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 72 ARG QG 99 no 100.0 0.0 0.000 0.008 0.008 6 0 no 0.215 0 0
2 73 TYR QB 98 no 100.0 99.2 1.572 1.584 0.013 6 0 no 0.145 0 0
2 74 LYS QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 75 GLU QB 97 no 100.0 99.2 0.389 0.392 0.003 6 0 no 0.100 0 0
2 75 GLU QG 96 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.102 0 0
2 76 MET QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 76 MET QG 62 no 100.0 99.9 0.632 0.633 0.000 10 0 no 0.063 0 0
2 77 LEU QB 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.044 0 0
2 77 LEU QD 15 no 100.0 0.0 0.000 0.000 0.000 22 10 no 0.063 0 0
2 80 ASN QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 80 ASN QD 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
2 81 MET QB 136 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.125 0 0
2 82 GLU QB 173 no 100.0 0.0 0.000 0.030 0.030 2 0 no 0.266 0 0
2 82 GLU QG 172 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.281 0 0
2 83 ASP QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 85 ILE QG 71 no 100.0 100.0 2.491 2.491 0.000 9 1 no 0.013 0 0
2 86 GLU QB 123 no 100.0 99.9 0.921 0.922 0.001 6 3 no 0.076 0 0
2 87 ASN QB 35 no 100.0 99.9 1.558 1.559 0.001 14 1 no 0.094 0 0
2 87 ASN QD 41 no 100.0 99.8 1.974 1.978 0.004 13 4 no 0.092 0 0
2 88 PHE QB 121 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.080 0 0
2 89 ASP QB 135 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.064 0 0
2 90 HIS QB 94 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.078 0 0
2 91 TYR QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.043 0 0
2 92 ARG QB 77 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.142 0 0
2 92 ARG QG 93 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.071 0 0
2 95 GLN QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 95 GLN QE 133 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.103 0 0
2 96 LYS QB 132 no 100.0 98.5 0.538 0.547 0.008 4 0 no 0.122 0 0
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