NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
646121 |
6jhd   |
cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6jhd
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 185
_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 15
_Stereo_assign_list.Total_e_low_states 0.228
_Stereo_assign_list.Total_e_high_states 798.145
_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 2 ASP QB 182 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 3 LEU QD 181 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 11 ASN QB 74 no 100.0 100.0 2.037 2.037 0.000 5 0 no 0.014 0 0
1 15 LEU QB 96 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 15 LEU QD 28 no 100.0 100.0 4.473 4.473 0.000 9 3 no 0.025 0 0
1 16 ILE QG 18 no 53.3 98.9 0.081 0.082 0.001 11 0 no 0.067 0 0
1 17 LEU QB 154 no 13.3 99.8 0.075 0.075 0.000 2 1 no 0.030 0 0
1 17 LEU QD 9 no 100.0 100.0 5.053 5.053 0.000 15 7 no 0.020 0 0
1 18 LEU QB 153 no 20.0 10.7 0.000 0.000 0.000 2 1 no 0.047 0 0
1 18 LEU QD 41 no 80.0 100.0 0.971 0.971 0.000 7 1 no 0.013 0 0
1 20 GLN QB 157 no 60.0 100.0 0.107 0.107 0.000 2 2 no 0.012 0 0
1 22 ARG QB 180 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 22 ARG QD 144 no 100.0 100.0 1.976 1.976 0.000 2 0 no 0.010 0 0
1 22 ARG QG 179 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.011 0 0
1 24 ILE QG 119 no 100.0 100.0 0.025 0.025 0.000 3 0 no 0.000 0 0
1 25 SER QB 118 no 100.0 100.0 0.788 0.788 0.000 3 0 no 0.003 0 0
1 26 PRO QB 178 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 27 PHE QB 34 no 100.0 100.0 0.109 0.109 0.000 8 1 no 0.007 0 0
1 27 PHE QD 84 no 100.0 100.0 20.625 20.625 0.000 5 3 no 0.004 0 0
1 27 PHE QE 156 no 100.0 100.0 8.983 8.983 0.000 2 2 no 0.000 0 0
1 29 CYS QB 59 no 93.3 99.9 1.165 1.166 0.001 6 1 no 0.076 0 0
1 30 LEU QB 89 no 100.0 100.0 0.116 0.116 0.000 4 0 no 0.000 0 0
1 30 LEU QD 83 no 100.0 100.0 2.115 2.115 0.000 5 1 no 0.034 0 0
1 31 LYS QB 73 no 100.0 100.0 0.633 0.633 0.000 5 0 no 0.036 0 0
1 31 LYS QE 185 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 31 LYS QG 94 no 93.3 100.0 0.462 0.462 0.000 4 1 no 0.010 0 0
1 32 ASP QB 117 no 100.0 100.0 1.857 1.857 0.000 3 0 no 0.006 0 0
1 33 ARG QB 177 no 6.7 99.8 0.046 0.046 0.000 1 0 no 0.038 0 0
1 34 HIS QB 176 no 100.0 100.0 0.474 0.474 0.000 1 0 no 0.000 0 0
1 35 ASP QB 143 no 100.0 99.9 0.252 0.252 0.000 2 0 no 0.046 0 0
1 36 PHE QB 93 no 100.0 100.0 0.000 0.000 0.000 4 1 no 0.025 0 0
1 36 PHE QD 15 no 100.0 100.0 23.679 23.680 0.000 12 4 no 0.031 0 0
1 36 PHE QE 6 no 100.0 100.0 57.370 57.370 0.000 19 10 no 0.025 0 0
1 37 GLU QB 116 no 73.3 99.6 0.043 0.043 0.000 3 0 no 0.050 0 0
1 38 PHE QB 65 no 100.0 99.8 1.688 1.692 0.004 6 2 no 0.175 0 0
1 38 PHE QD 24 no 100.0 99.8 19.107 19.138 0.032 10 6 no 0.227 0 0
1 38 PHE QE 49 no 100.0 99.9 10.655 10.661 0.006 7 4 no 0.095 0 0
1 39 PRO QB 64 no 60.0 98.0 0.048 0.049 0.001 6 2 no 0.085 0 0
1 40 GLN QB 128 no 86.7 99.9 0.671 0.672 0.001 3 1 no 0.054 0 0
1 40 GLN QG 152 no 20.0 99.8 0.036 0.037 0.000 2 1 no 0.027 0 0
1 41 GLU QB 115 no 33.3 100.0 0.211 0.211 0.000 3 0 no 0.003 0 0
1 42 GLU QB 127 no 93.3 100.0 0.157 0.157 0.000 3 1 no 0.008 0 0
1 42 GLU QG 114 no 100.0 100.0 0.969 0.969 0.000 3 0 no 0.027 0 0
1 43 PHE QB 175 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 43 PHE QD 48 no 100.0 99.7 12.256 12.290 0.034 7 4 no 0.206 0 0
1 43 PHE QE 19 no 100.0 100.0 52.575 52.577 0.002 11 7 no 0.089 0 0
1 44 ASP QB 126 no 100.0 99.8 1.085 1.087 0.002 3 1 no 0.073 0 0
1 45 ASP QB 142 no 100.0 100.0 0.226 0.226 0.000 2 0 no 0.027 0 0
1 46 LYS QB 113 no 13.3 100.0 0.085 0.085 0.000 3 0 no 0.008 0 0
1 48 PHE QB 82 no 20.0 54.3 0.002 0.003 0.001 5 1 no 0.055 0 0
1 48 PHE QD 47 no 100.0 99.9 10.534 10.544 0.011 7 4 no 0.162 0 0
1 48 PHE QE 43 no 100.0 100.0 14.066 14.069 0.003 7 2 no 0.067 0 0
1 49 GLN QB 72 no 86.7 99.9 0.654 0.655 0.001 5 0 no 0.070 0 0
1 49 GLN QG 174 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 50 LYS QB 173 no 53.3 100.0 0.323 0.323 0.000 1 0 no 0.022 0 0
1 50 LYS QD 172 no 33.3 100.0 0.099 0.099 0.000 1 0 no 0.000 0 0
1 54 ILE QG 141 no 100.0 100.0 0.540 0.540 0.000 2 0 no 0.000 0 0
1 55 SER QB 125 no 93.3 100.0 0.550 0.550 0.000 3 1 no 0.018 0 0
1 56 VAL QG 27 no 100.0 100.0 2.006 2.006 0.000 9 2 no 0.043 0 0
1 57 LEU QB 40 no 100.0 100.0 2.761 2.761 0.000 7 1 no 0.021 0 0
1 57 LEU QD 14 no 100.0 99.9 4.120 4.123 0.003 13 5 no 0.199 0 0
1 58 HIS QB 55 no 100.0 100.0 2.561 2.561 0.000 6 0 no 0.028 0 0
1 59 GLU QB 140 no 66.7 99.9 0.266 0.266 0.000 2 0 no 0.025 0 0
1 60 MET QB 81 no 100.0 100.0 1.169 1.169 0.000 5 1 no 0.012 0 0
1 61 ILE QG 71 no 100.0 100.0 0.556 0.556 0.000 5 0 no 0.000 0 0
1 62 GLN QB 70 no 100.0 100.0 1.156 1.156 0.000 5 0 no 0.002 0 0
1 63 GLN QB 39 no 100.0 100.0 0.365 0.365 0.000 7 1 no 0.012 0 0
1 65 PHE QB 124 no 73.3 100.0 0.010 0.010 0.000 3 1 no 0.000 0 0
1 65 PHE QD 36 no 100.0 100.0 17.747 17.747 0.000 8 4 no 0.010 0 0
1 66 ASN QB 112 no 100.0 100.0 0.453 0.453 0.000 3 0 no 0.005 0 0
1 67 LEU QB 139 no 86.7 98.1 0.014 0.014 0.000 2 0 no 0.036 0 0
1 67 LEU QD 11 no 100.0 100.0 6.944 6.945 0.000 14 4 no 0.031 0 0
1 68 PHE QD 35 no 100.0 100.0 16.492 16.492 0.000 8 4 no 0.014 0 0
1 68 PHE QE 31 no 100.0 100.0 25.039 25.039 0.000 9 4 no 0.028 0 0
1 69 SER QB 80 no 100.0 100.0 0.675 0.675 0.000 5 1 no 0.016 0 0
1 71 LYS QB 138 no 60.0 100.0 0.151 0.151 0.000 2 0 no 0.014 0 0
1 72 ASP QB 88 no 100.0 100.0 0.522 0.522 0.000 4 0 no 0.011 0 0
1 74 SER QB 137 no 100.0 100.0 0.349 0.349 0.000 2 0 no 0.019 0 0
1 77 LEU QD 171 no 100.0 100.0 1.245 1.245 0.000 1 0 no 0.003 0 0
1 79 GLU QB 136 no 13.3 79.0 0.004 0.005 0.001 2 0 no 0.125 0 0
1 81 LEU QB 79 no 100.0 100.0 0.536 0.536 0.000 5 1 no 0.015 0 0
1 81 LEU QD 13 no 100.0 100.0 1.515 1.515 0.000 13 3 no 0.012 0 0
1 82 LEU QB 45 no 100.0 100.0 0.180 0.180 0.000 7 3 no 0.014 0 0
1 82 LEU QD 2 no 100.0 99.8 4.296 4.303 0.007 34 16 no 0.104 0 0
1 83 ASP QB 87 no 33.3 100.0 0.001 0.001 0.000 4 0 no 0.001 0 0
1 84 GLU QB 58 no 100.0 99.9 0.027 0.027 0.000 6 1 no 0.009 0 0
1 84 GLU QG 135 no 100.0 100.0 0.592 0.592 0.000 2 0 no 0.000 0 0
1 85 PHE QB 46 no 100.0 100.0 0.002 0.002 0.000 7 4 no 0.076 0 0
1 85 PHE QD 51 no 100.0 99.9 1.707 1.708 0.001 7 5 no 0.105 0 0
1 85 PHE QE 155 no 100.0 99.9 1.261 1.262 0.001 2 2 no 0.058 0 0
1 86 TYR QB 151 no 66.7 100.0 0.019 0.019 0.000 2 1 no 0.000 0 0
1 86 TYR QD 68 no 100.0 100.0 21.662 21.662 0.000 6 3 no 0.002 0 0
1 86 TYR QE 32 no 100.0 100.0 27.435 27.435 0.000 9 6 no 0.012 0 0
1 87 ILE QG 38 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 88 GLU QB 67 no 100.0 100.0 1.150 1.150 0.000 6 3 no 0.010 0 0
1 89 LEU QB 92 no 33.3 100.0 0.001 0.001 0.000 4 1 no 0.000 0 0
1 89 LEU QD 3 no 100.0 100.0 15.020 15.021 0.000 31 11 no 0.040 0 0
1 90 ASP QB 86 no 100.0 100.0 0.163 0.163 0.000 4 0 no 0.003 0 0
1 91 GLN QB 170 no 93.3 100.0 0.233 0.233 0.000 1 0 no 0.014 0 0
1 92 GLN QB 78 no 6.7 99.2 0.004 0.004 0.000 5 1 no 0.020 0 0
1 93 LEU QB 63 no 100.0 100.0 0.000 0.000 0.000 6 2 no 0.013 0 0
1 93 LEU QD 8 no 100.0 100.0 4.984 4.984 0.000 15 3 no 0.010 0 0
1 94 ASN QB 111 no 6.7 100.0 0.045 0.045 0.000 3 0 no 0.001 0 0
1 97 GLU QB 110 no 80.0 100.0 0.113 0.113 0.000 3 0 no 0.008 0 0
1 99 CYS QB 123 no 100.0 100.0 2.009 2.009 0.000 3 1 no 0.017 0 0
1 100 VAL QG 17 no 100.0 100.0 5.875 5.875 0.000 11 0 no 0.018 0 0
1 101 MET QB 169 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.005 0 0
1 102 GLN QB 134 no 66.7 100.0 0.047 0.047 0.000 2 0 no 0.000 0 0
1 103 GLU QB 168 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 103 GLU QG 167 no 60.0 100.0 0.309 0.309 0.000 1 0 no 0.018 0 0
1 104 VAL QG 10 no 100.0 99.0 4.361 4.405 0.044 14 0 no 0.331 0 0
1 105 GLY QA 133 no 100.0 100.0 0.019 0.019 0.000 2 0 no 0.000 0 0
1 106 VAL QG 23 no 100.0 100.0 5.667 5.667 0.000 10 2 no 0.018 0 0
1 107 ILE QG 26 no 100.0 100.0 1.648 1.648 0.000 9 0 no 0.003 0 0
1 108 GLU QB 109 no 100.0 100.0 1.095 1.095 0.000 3 0 no 0.017 0 0
1 109 SER QB 85 no 100.0 99.8 0.811 0.812 0.001 4 0 no 0.113 0 0
1 110 PRO QB 132 no 100.0 100.0 1.556 1.556 0.001 2 0 no 0.085 0 0
1 111 LEU QB 91 no 20.0 100.0 0.127 0.127 0.000 4 1 no 0.000 0 0
1 111 LEU QD 21 no 100.0 100.0 5.036 5.036 0.000 10 1 no 0.022 0 0
1 112 MET QB 108 no 100.0 100.0 0.873 0.873 0.000 3 0 no 0.000 0 0
1 112 MET QG 166 no 86.7 100.0 0.351 0.351 0.000 1 0 no 0.003 0 0
1 113 TYR QB 62 no 100.0 100.0 1.396 1.396 0.000 6 2 no 0.000 0 0
1 113 TYR QD 30 no 100.0 100.0 30.517 30.517 0.000 9 4 no 0.029 0 0
1 113 TYR QE 61 no 100.0 100.0 27.538 27.538 0.000 6 2 no 0.021 0 0
1 114 GLU QB 107 no 100.0 100.0 2.094 2.094 0.000 3 0 no 0.000 0 0
1 115 ASP QB 106 no 100.0 100.0 0.763 0.763 0.000 3 0 no 0.000 0 0
1 116 SER QB 131 no 93.3 100.0 0.462 0.462 0.000 2 0 no 0.000 0 0
1 117 ILE QG 105 no 86.7 99.9 0.962 0.962 0.000 3 0 no 0.038 0 0
1 118 LEU QB 150 no 100.0 100.0 0.000 0.000 0.000 2 1 no 0.002 0 0
1 118 LEU QD 57 no 86.7 100.0 1.193 1.193 0.000 6 1 no 0.015 0 0
1 120 VAL QG 5 no 100.0 100.0 16.556 16.556 0.000 26 5 no 0.019 0 0
1 121 ARG QB 165 no 20.0 99.9 0.054 0.054 0.000 1 0 no 0.017 0 0
1 122 LYS QB 149 no 86.7 100.0 0.514 0.514 0.000 2 1 no 0.009 0 0
1 122 LYS QG 184 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 123 TYR QB 164 no 100.0 100.0 0.283 0.283 0.000 1 0 no 0.000 0 0
1 123 TYR QD 122 no 100.0 100.0 9.446 9.447 0.000 3 1 no 0.033 0 0
1 123 TYR QE 130 no 100.0 100.0 17.407 17.407 0.000 2 0 no 0.006 0 0
1 124 PHE QB 42 no 100.0 100.0 0.985 0.986 0.000 7 2 no 0.043 0 0
1 124 PHE QD 69 no 100.0 100.0 0.879 0.879 0.000 6 4 no 0.043 0 0
1 124 PHE QE 66 no 100.0 100.0 15.130 15.130 0.000 6 3 no 0.024 0 0
1 125 GLN QB 121 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.004 0 0
1 125 GLN QG 148 no 93.3 100.0 0.450 0.450 0.000 2 1 no 0.000 0 0
1 127 ILE QG 25 no 100.0 100.0 3.133 3.133 0.000 9 0 no 0.026 0 0
1 129 LEU QB 163 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.005 0 0
1 129 LEU QD 54 no 100.0 100.0 4.649 4.649 0.000 6 0 no 0.000 0 0
1 130 TYR QB 44 no 100.0 99.7 0.049 0.050 0.000 7 3 no 0.025 0 0
1 130 TYR QD 16 no 100.0 100.0 53.866 53.866 0.000 12 7 no 0.002 0 0
1 130 TYR QE 50 no 100.0 100.0 30.855 30.855 0.000 7 5 no 0.015 0 0
1 131 LEU QB 29 no 100.0 100.0 2.012 2.012 0.000 9 4 no 0.008 0 0
1 131 LEU QD 1 no 100.0 100.0 2.746 2.746 0.000 50 18 no 0.011 0 0
1 133 GLU QB 53 no 100.0 100.0 0.389 0.389 0.000 6 0 no 0.002 0 0
1 134 LYS QB 77 no 60.0 100.0 0.158 0.158 0.000 5 1 no 0.019 0 0
1 134 LYS QD 104 no 13.3 100.0 0.132 0.132 0.000 3 0 no 0.007 0 0
1 134 LYS QE 147 no 26.7 100.0 0.023 0.023 0.000 2 1 no 0.007 0 0
1 134 LYS QG 22 no 80.0 100.0 0.195 0.195 0.000 10 2 no 0.016 0 0
1 135 LYS QB 146 no 93.3 98.7 0.054 0.055 0.001 2 1 no 0.095 0 0
1 135 LYS QG 90 no 100.0 99.8 0.410 0.411 0.001 4 1 no 0.095 0 0
1 136 TYR QB 145 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 136 TYR QD 37 no 100.0 100.0 27.799 27.799 0.000 8 7 no 0.006 0 0
1 136 TYR QE 20 no 100.0 100.0 28.507 28.507 0.000 11 8 no 0.010 0 0
1 137 SER QB 129 no 100.0 100.0 1.342 1.342 0.000 2 0 no 0.000 0 0
1 138 SER QB 162 no 46.7 100.0 0.228 0.228 0.000 1 0 no 0.006 0 0
1 139 CYS QB 103 no 100.0 0.3 0.000 0.001 0.001 3 0 no 0.098 0 0
1 141 TRP QB 102 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 142 GLU QB 101 no 6.7 100.0 0.031 0.031 0.000 3 0 no 0.003 0 0
1 143 VAL QG 7 no 100.0 100.0 6.962 6.962 0.000 16 6 no 0.038 0 0
1 144 VAL QG 4 no 100.0 100.0 2.898 2.899 0.000 30 10 no 0.038 0 0
1 145 ARG QG 161 no 40.0 100.0 0.093 0.093 0.000 1 0 no 0.022 0 0
1 147 GLU QB 76 no 53.3 100.0 0.845 0.846 0.000 5 1 no 0.055 0 0
1 148 ILE QG 33 no 100.0 100.0 1.684 1.685 0.001 8 0 no 0.050 0 0
1 149 MET QG 56 no 100.0 100.0 1.885 1.885 0.000 6 1 no 0.032 0 0
1 150 ARG QB 52 no 100.0 98.8 1.036 1.049 0.013 6 0 no 0.209 0 0
1 150 ARG QD 160 no 6.7 99.9 0.016 0.016 0.000 1 0 no 0.014 0 0
1 150 ARG QG 100 no 73.3 100.0 0.310 0.310 0.000 3 0 no 0.000 0 0
1 152 PHE QB 99 no 20.0 98.1 0.095 0.097 0.002 3 0 no 0.073 0 0
1 152 PHE QD 98 no 100.0 100.0 13.175 13.175 0.000 3 0 no 0.026 0 0
1 154 LEU QD 12 no 100.0 99.9 15.225 15.238 0.013 14 9 no 0.175 0 0
1 155 SER QB 159 no 100.0 100.0 1.292 1.292 0.000 1 0 no 0.047 0 0
1 158 LEU QB 183 no 46.7 99.9 0.353 0.353 0.000 1 1 no 0.072 0 0
1 158 LEU QD 60 no 100.0 99.9 6.307 6.312 0.005 6 2 no 0.221 0 0
1 163 LYS QB 158 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 164 SER QB 97 no 100.0 99.1 2.671 2.695 0.024 3 0 no 0.231 0 0
1 165 LYS QD 95 no 66.7 99.9 1.182 1.183 0.001 4 2 no 0.072 0 0
1 165 LYS QE 120 no 100.0 100.0 1.164 1.165 0.001 3 1 no 0.048 0 0
1 165 LYS QG 75 no 100.0 100.0 2.134 2.134 0.000 5 1 no 0.008 0 0
stop_
save_
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