NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563949 |
2lux   |
18545 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lux
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 206
_Stereo_assign_list.Swap_count 2
_Stereo_assign_list.Swap_percentage 1.0
_Stereo_assign_list.Deassign_count 6
_Stereo_assign_list.Deassign_percentage 2.9
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 19.773
_Stereo_assign_list.Total_e_high_states 337.528
_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 GLU QB 129 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.004 0 0
1 3 GLU QG 84 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.052 0 0
1 4 LEU QD 58 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 5 GLU QG 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 MET QB 72 no 15.0 100.0 0.078 0.078 0.000 6 0 no 0.000 0 0
1 8 MET QG 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 9 GLU QG 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 LEU QB 22 no 100.0 100.0 0.180 0.180 0.000 14 7 no 0.015 0 0
1 11 LEU QD 16 no 100.0 100.0 0.636 0.636 0.000 16 7 no 0.000 0 0
1 12 ILE QG 206 no 100.0 100.0 2.171 2.171 0.000 1 0 no 0.019 0 0
1 13 ASN QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
1 14 VAL QG 8 no 100.0 100.0 10.670 10.671 0.001 27 6 no 0.051 0 0
1 15 PHE QB 45 no 100.0 100.0 0.620 0.620 0.000 9 5 no 0.000 0 0
1 15 PHE QD 76 no 100.0 100.0 0.988 0.988 0.000 6 1 no 0.007 0 0
1 15 PHE QE 88 no 100.0 100.0 4.187 4.187 0.000 6 3 no 0.000 0 0
1 18 HIS QB 50 no 80.0 100.0 0.022 0.022 0.000 8 2 no 0.002 0 0
1 20 GLY QA 94 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.015 0 0
1 21 LYS QB 40 no 100.0 100.0 1.463 1.463 0.000 9 0 no 0.014 0 0
1 21 LYS QD 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 LYS QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 LYS QD 93 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.015 0 0
1 26 TYR QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 TYR QD 126 yes 80.0 85.1 2.199 2.584 0.385 4 0 yes 2.509 1 2
1 27 LYS QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 LYS QE 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 28 LEU QB 31 no 100.0 100.0 0.816 0.816 0.000 11 5 no 0.021 0 0
1 28 LEU QD 83 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 29 SER QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 LYS QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 LYS QD 82 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.020 0 0
1 30 LYS QE 39 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.024 0 0
1 30 LYS QG 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 LYS QB 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 LYS QE 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 LYS QG 135 no 40.0 100.0 0.273 0.273 0.000 3 0 no 0.017 0 0
1 32 GLU QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 LEU QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 LEU QD 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 34 LYS QB 131 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.009 0 0
1 34 LYS QD 71 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.071 0 0
1 34 LYS QE 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 LEU QB 92 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 36 LEU QD 24 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.010 0 0
1 37 LEU QB 60 no 100.0 0.0 0.000 0.000 0.000 7 5 no 0.000 0 0
1 37 LEU QD 12 no 100.0 100.0 1.357 1.357 0.000 22 9 no 0.065 0 0
1 38 GLN QB 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 GLN QG 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 41 LEU QB 97 no 45.0 100.0 0.375 0.375 0.000 5 1 no 0.018 0 0
1 41 LEU QD 120 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.044 0 0
1 44 PHE QB 49 no 100.0 100.0 1.863 1.863 0.000 8 2 no 0.000 0 0
1 44 PHE QD 101 no 55.0 28.1 2.191 7.802 5.610 5 2 yes 2.888 22 22
1 45 LEU QB 33 no 100.0 34.8 2.074 5.952 3.878 10 2 yes 2.952 11 11
1 45 LEU QD 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 46 ASP QB 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 48 GLN QB 200 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 49 LYS QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 LYS QG 36 no 100.0 100.0 0.664 0.664 0.000 10 4 no 0.000 0 0
1 50 ASP QB 100 no 65.0 100.0 0.081 0.081 0.000 5 2 no 0.000 0 0
1 54 VAL QG 28 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.009 0 0
1 56 LYS QB 42 no 100.0 100.0 0.312 0.312 0.000 9 1 no 0.000 0 0
1 56 LYS QD 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 57 VAL QG 15 no 100.0 99.9 1.206 1.208 0.001 16 3 no 0.101 0 0
1 58 MET QG 26 no 100.0 99.9 1.019 1.020 0.001 13 4 no 0.067 0 0
1 61 LEU QB 56 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 61 LEU QD 20 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.011 0 0
1 62 ASP QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 GLU QB 70 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.025 0 0
1 63 GLU QG 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 ASN QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 GLY QA 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 67 GLY QA 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.062 0 0
1 68 GLU QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 69 VAL QG 69 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 71 PHE QB 196 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 71 PHE QD 87 no 100.0 100.0 10.537 10.537 0.000 6 3 no 0.000 0 0
1 71 PHE QE 35 no 100.0 100.0 22.898 22.898 0.000 10 4 no 0.025 0 0
1 72 GLN QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 GLN QG 30 no 100.0 100.0 0.997 0.997 0.000 11 5 no 0.016 0 0
1 73 GLU QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 TYR QB 81 no 100.0 100.0 1.793 1.793 0.000 6 2 no 0.021 0 0
1 74 TYR QE 18 no 100.0 100.0 44.572 44.572 0.000 15 10 no 0.015 0 0
1 75 VAL QG 4 no 100.0 100.0 9.677 9.679 0.001 32 5 no 0.099 0 0
1 76 VAL QG 13 no 100.0 100.0 5.549 5.550 0.000 19 4 no 0.022 0 0
1 77 LEU QB 55 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 77 LEU QD 54 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 78 VAL QG 6 no 100.0 100.0 2.663 2.664 0.001 30 7 no 0.045 0 0
1 81 LEU QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 LEU QD 68 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.003 0 0
1 83 VAL QG 3 no 100.0 100.0 7.324 7.324 0.000 34 15 no 0.028 0 0
1 85 MET QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 85 MET QG 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.021 0 0
1 86 ASN QB 67 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.028 0 0
1 86 ASN QD 199 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.014 0 0
1 87 ASN QB 75 no 100.0 100.0 1.085 1.086 0.000 6 1 no 0.047 0 0
1 88 PHE QB 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 88 PHE QD 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 PHE QE 205 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 89 PHE QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 PHE QD 134 no 95.0 100.0 1.885 1.885 0.000 3 0 no 0.000 0 0
1 89 PHE QE 204 no 95.0 100.0 5.154 5.154 0.000 1 0 no 0.024 0 0
1 90 TRP QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 GLU QG 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 ASN QD 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.073 0 0
2 3 GLU QB 128 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.004 0 0
2 3 GLU QG 80 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.051 0 0
2 4 LEU QD 57 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
2 5 GLU QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 8 MET QB 66 no 15.0 100.0 0.078 0.078 0.000 6 0 no 0.000 0 0
2 8 MET QG 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 9 GLU QG 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 11 LEU QB 21 no 100.0 100.0 0.180 0.180 0.000 14 7 no 0.015 0 0
2 11 LEU QD 9 no 100.0 100.0 6.811 6.811 0.000 26 7 no 0.031 0 0
2 12 ILE QG 203 no 100.0 100.0 2.171 2.172 0.000 1 0 no 0.019 0 0
2 13 ASN QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
2 14 VAL QG 7 no 100.0 100.0 10.677 10.679 0.001 27 6 no 0.052 0 0
2 15 PHE QB 44 no 100.0 100.0 0.619 0.619 0.000 9 5 no 0.000 0 0
2 15 PHE QD 74 no 100.0 100.0 0.988 0.988 0.000 6 1 no 0.007 0 0
2 15 PHE QE 86 no 100.0 100.0 4.186 4.186 0.000 6 3 no 0.000 0 0
2 18 HIS QB 48 no 80.0 100.0 0.022 0.022 0.000 8 2 no 0.001 0 0
2 20 GLY QA 91 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.014 0 0
2 21 LYS QB 46 no 100.0 100.0 1.467 1.467 0.000 8 0 no 0.014 0 0
2 21 LYS QD 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 21 LYS QG 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 25 LYS QD 90 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.014 0 0
2 26 TYR QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 26 TYR QD 113 yes 80.0 85.1 2.199 2.585 0.385 4 0 yes 2.510 1 2
2 27 LYS QD 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 27 LYS QE 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 28 LEU QB 29 no 100.0 100.0 0.816 0.816 0.000 11 5 no 0.021 0 0
2 28 LEU QD 79 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
2 29 SER QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 30 LYS QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 30 LYS QD 78 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.021 0 0
2 30 LYS QE 38 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.026 0 0
2 30 LYS QG 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 31 LYS QB 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 31 LYS QE 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 31 LYS QG 133 no 40.0 100.0 0.273 0.273 0.000 3 0 no 0.015 0 0
2 32 GLU QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 33 LEU QB 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 33 LEU QD 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 34 LYS QB 130 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.010 0 0
2 34 LYS QD 65 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.072 0 0
2 34 LYS QE 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 36 LEU QB 89 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 36 LEU QD 23 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.010 0 0
2 37 LEU QB 59 no 100.0 0.0 0.000 0.000 0.000 7 5 no 0.000 0 0
2 37 LEU QD 11 no 100.0 100.0 1.357 1.358 0.000 22 9 no 0.066 0 0
2 38 GLN QB 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 38 GLN QG 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 41 LEU QB 96 no 45.0 100.0 0.375 0.375 0.000 5 1 no 0.019 0 0
2 41 LEU QD 107 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.043 0 0
2 44 PHE QB 47 no 100.0 100.0 1.863 1.863 0.000 8 2 no 0.000 0 0
2 44 PHE QD 99 no 55.0 28.1 2.192 7.803 5.611 5 2 yes 2.888 22 22
2 45 LEU QB 32 no 100.0 34.8 2.073 5.952 3.879 10 2 yes 2.953 11 11
2 45 LEU QD 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 46 ASP QB 105 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 48 GLN QB 198 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 49 LYS QB 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 49 LYS QG 34 no 100.0 100.0 0.664 0.664 0.000 10 4 no 0.000 0 0
2 50 ASP QB 98 no 65.0 100.0 0.081 0.081 0.000 5 2 no 0.000 0 0
2 54 VAL QG 27 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.010 0 0
2 56 LYS QB 41 no 100.0 100.0 0.312 0.312 0.000 9 1 no 0.000 0 0
2 56 LYS QD 104 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 57 VAL QG 14 no 100.0 99.9 1.326 1.328 0.001 16 3 no 0.100 0 0
2 58 MET QG 25 no 100.0 99.9 1.019 1.020 0.001 13 4 no 0.066 0 0
2 61 LEU QB 53 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 61 LEU QD 19 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.012 0 0
2 62 ASP QB 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 63 GLU QB 64 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.027 0 0
2 63 GLU QG 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 64 ASN QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 65 GLY QA 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 67 GLY QA 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.061 0 0
2 68 GLU QB 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 69 VAL QG 63 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 71 PHE QB 95 no 100.0 100.0 4.977 4.977 0.000 6 5 no 0.028 0 0
2 71 PHE QD 85 no 100.0 100.0 10.480 10.480 0.000 6 3 no 0.000 0 0
2 71 PHE QE 37 no 100.0 100.0 22.848 22.849 0.000 10 6 no 0.025 0 0
2 72 GLN QB 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 72 GLN QG 43 no 100.0 100.0 0.997 0.997 0.000 9 5 no 0.016 0 0
2 73 GLU QB 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 74 TYR QB 77 no 100.0 100.0 1.794 1.794 0.000 6 2 no 0.021 0 0
2 74 TYR QE 17 no 100.0 100.0 44.507 44.507 0.000 15 10 no 0.015 0 0
2 75 VAL QG 1 no 100.0 100.0 12.901 12.902 0.001 44 7 no 0.098 0 0
2 76 VAL QG 10 no 100.0 100.0 9.821 9.822 0.000 22 4 no 0.022 0 0
2 77 LEU QB 52 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 77 LEU QD 51 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 78 VAL QG 5 no 100.0 100.0 2.663 2.663 0.001 30 7 no 0.045 0 0
2 81 LEU QB 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 81 LEU QD 62 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.004 0 0
2 83 VAL QG 2 no 100.0 100.0 7.312 7.312 0.000 36 11 no 0.013 0 0
2 85 MET QB 141 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
2 85 MET QG 103 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.020 0 0
2 86 ASN QB 61 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.029 0 0
2 86 ASN QD 197 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.013 0 0
2 87 ASN QB 73 no 100.0 100.0 1.084 1.084 0.000 6 1 no 0.047 0 0
2 88 PHE QB 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 88 PHE QD 140 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 88 PHE QE 202 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 89 PHE QB 139 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 89 PHE QD 132 no 95.0 100.0 1.885 1.885 0.000 3 0 no 0.000 0 0
2 89 PHE QE 201 no 95.0 100.0 5.154 5.154 0.000 1 0 no 0.023 0 0
2 90 TRP QB 138 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 91 GLU QG 137 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 92 ASN QD 136 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.073 0 0
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