NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
478416 |
2k07   |
cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2k07
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 201
_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 0.110
_Stereo_assign_list.Total_e_high_states 68.463
_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 7 ARG QG 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 9 VAL QG 27 no 100.0 100.0 0.748 0.748 0.000 17 0 no 0.002 0 0
1 10 VAL QG 14 no 100.0 100.0 0.251 0.251 0.000 26 0 no 0.000 0 0
1 12 GLU QB 50 no 100.0 99.9 0.707 0.707 0.000 13 4 no 0.043 0 0
1 12 GLU QG 83 no 100.0 0.0 0.000 0.009 0.009 10 2 no 0.267 0 0
1 13 ILE QG 70 no 100.0 100.0 1.349 1.350 0.000 11 1 no 0.066 0 0
1 14 PRO QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 PRO QD 176 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 15 VAL QG 8 no 90.0 99.9 0.196 0.196 0.000 31 10 no 0.070 0 0
1 16 LEU QB 124 no 100.0 100.0 0.031 0.031 0.000 7 0 no 0.000 0 0
1 16 LEU QD 2 no 100.0 100.0 1.675 1.676 0.000 43 9 no 0.061 0 0
1 19 ASN QB 59 no 45.0 42.0 0.000 0.001 0.001 12 4 no 0.057 0 0
1 19 ASN QD 151 no 100.0 0.0 0.000 0.001 0.001 6 6 no 0.057 0 0
1 22 PRO QB 114 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.034 0 0
1 22 PRO QD 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 22 PRO QG 102 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 23 ARG QB 101 no 100.0 99.8 0.768 0.769 0.002 8 0 no 0.107 0 0
1 23 ARG QG 142 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.077 0 0
1 24 ASP QB 22 no 100.0 0.0 0.000 0.001 0.001 20 10 no 0.069 0 0
1 25 ARG QB 143 no 100.0 98.2 0.046 0.047 0.001 6 1 no 0.098 0 0
1 25 ARG QG 125 no 100.0 99.7 0.292 0.293 0.001 7 1 no 0.062 0 0
1 27 LEU QB 89 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.072 0 0
1 27 LEU QD 13 no 15.0 36.6 0.002 0.006 0.004 27 6 no 0.205 0 0
1 28 TRP QB 25 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.001 0 0
1 29 VAL QG 26 no 100.0 100.0 0.963 0.963 0.000 17 0 no 0.000 0 0
1 30 GLN QE 49 no 85.0 99.1 0.899 0.907 0.008 13 4 no 0.142 0 0
1 31 ARG QB 77 no 10.0 60.7 0.000 0.000 0.000 10 0 no 0.040 0 0
1 32 LEU QB 69 no 95.0 99.8 0.467 0.468 0.001 11 0 no 0.063 0 0
1 32 LEU QD 9 no 100.0 0.0 0.000 0.000 0.000 30 2 no 0.058 0 0
1 33 LYS QG 100 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 34 GLU QB 39 no 100.0 100.0 0.553 0.553 0.000 14 4 no 0.025 0 0
1 34 GLU QG 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 35 GLU QB 197 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.102 0 0
1 35 GLU QG 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 TYR QB 123 no 100.0 99.9 0.307 0.307 0.000 7 0 no 0.038 0 0
1 37 GLN QB 82 no 100.0 99.5 0.425 0.428 0.002 10 2 no 0.091 0 0
1 37 GLN QE 145 no 100.0 100.0 0.000 0.000 0.000 6 2 no 0.044 0 0
1 37 GLN QG 38 no 100.0 0.0 0.000 0.001 0.001 14 4 no 0.065 0 0
1 39 LEU QB 122 no 100.0 100.0 0.178 0.178 0.000 7 0 no 0.000 0 0
1 39 LEU QD 10 no 100.0 100.0 0.908 0.909 0.000 30 5 no 0.042 0 0
1 40 ILE QG 99 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 41 ARG QB 68 no 50.0 99.5 0.057 0.057 0.000 11 0 no 0.070 0 0
1 41 ARG QD 113 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.082 0 0
1 41 ARG QG 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 VAL QG 12 no 100.0 100.0 1.277 1.278 0.000 28 6 no 0.063 0 0
1 44 GLU QB 46 no 50.0 84.0 0.050 0.060 0.010 13 3 no 0.181 0 0
1 44 GLU QG 42 no 100.0 0.0 0.000 0.001 0.001 14 6 no 0.063 0 0
1 45 ASN QB 60 no 95.0 99.6 0.445 0.447 0.002 12 5 no 0.063 0 0
1 45 ASN QD 20 no 100.0 99.9 1.055 1.056 0.002 21 12 no 0.082 0 0
1 46 ASN QD 29 no 75.0 99.7 0.447 0.448 0.001 16 3 no 0.112 0 0
1 47 LYS QG 62 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.069 0 0
1 48 ASN QD 73 no 55.0 99.6 0.165 0.166 0.001 11 4 no 0.063 0 0
1 50 ASP QB 67 no 100.0 100.0 0.166 0.166 0.000 11 0 no 0.002 0 0
1 51 ASN QB 81 no 100.0 0.0 0.000 0.003 0.003 10 2 no 0.170 0 0
1 51 ASN QD 48 no 55.0 91.5 0.021 0.023 0.002 13 4 no 0.063 0 0
1 52 ASP QB 88 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.069 0 0
1 53 TRP QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 PHE QB 98 no 15.0 99.2 0.098 0.099 0.001 8 0 no 0.119 0 0
1 55 ARG QG 140 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 56 LEU QB 58 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 56 LEU QD 24 no 0.0 0.0 0.000 0.001 0.001 18 6 no 0.070 0 0
1 57 GLU QB 97 no 100.0 99.7 0.288 0.289 0.001 8 0 no 0.087 0 0
1 57 GLU QG 96 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.040 0 0
1 58 SER QB 87 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.060 0 0
1 59 ASN QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 59 ASN QD 35 no 10.0 68.0 0.001 0.002 0.001 15 4 no 0.054 0 0
1 60 LYS QB 149 no 100.0 0.0 0.000 0.002 0.002 6 4 no 0.135 0 0
1 61 GLU QB 66 no 100.0 100.0 0.553 0.553 0.000 11 0 no 0.035 0 0
1 61 GLU QG 37 no 0.0 0.0 0.000 0.001 0.001 14 4 no 0.085 0 0
1 62 GLY QA 23 no 100.0 100.0 2.180 2.181 0.000 19 6 no 0.045 0 0
1 64 ARG QB 32 no 65.0 99.7 0.063 0.064 0.000 16 6 no 0.045 0 0
1 64 ARG QD 53 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.014 0 0
1 64 ARG QG 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 65 TRP QB 28 no 100.0 100.0 2.492 2.493 0.001 16 2 no 0.099 0 0
1 66 PHE QB 57 no 100.0 100.0 0.302 0.302 0.000 12 4 no 0.028 0 0
1 67 GLY QA 34 no 100.0 0.0 0.000 0.000 0.000 16 12 no 0.007 0 0
1 68 LYS QB 112 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 68 LYS QD 171 no 0.0 0.0 0.000 0.001 0.001 4 0 no 0.139 0 0
1 68 LYS QG 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 69 CYS QB 76 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.054 0 0
1 70 TRP QB 148 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.016 0 0
1 72 ILE QG 52 no 50.0 99.1 0.362 0.365 0.003 12 0 no 0.113 0 0
1 73 HIS QB 75 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.061 0 0
1 74 ASP QB 72 no 70.0 97.3 0.018 0.019 0.001 11 2 no 0.055 0 0
1 75 LEU QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 LEU QD 121 no 45.0 100.0 0.139 0.139 0.000 7 0 no 0.011 0 0
1 76 LEU QB 137 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 76 LEU QD 11 no 100.0 100.0 5.208 5.209 0.001 29 8 no 0.075 0 0
1 77 LYS QB 56 no 10.0 100.0 0.001 0.001 0.000 12 4 no 0.000 0 0
1 77 LYS QD 74 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.051 0 0
1 77 LYS QE 111 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.048 0 0
1 77 LYS QG 86 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 78 TYR QB 65 no 65.0 99.0 0.028 0.029 0.000 11 0 no 0.044 0 0
1 80 PHE QB 110 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 81 ASP QB 152 no 75.0 95.7 0.031 0.033 0.001 5 0 no 0.123 0 0
1 82 ILE QG 120 no 25.0 100.0 0.002 0.002 0.000 7 0 no 0.000 0 0
1 83 GLU QB 55 no 85.0 98.9 0.216 0.219 0.002 12 4 no 0.130 0 0
1 84 PHE QB 136 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.060 0 0
1 85 ASP QB 135 no 85.0 99.4 0.099 0.099 0.001 6 0 no 0.100 0 0
1 86 ILE QG 51 no 100.0 100.0 1.227 1.227 0.000 12 0 no 0.012 0 0
1 87 PRO QB 95 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.023 0 0
1 87 PRO QD 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 PRO QG 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.041 0 0
1 88 ILE QG 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.072 0 0
1 90 TYR QB 132 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 90 TYR QD 18 no 100.0 100.0 7.272 7.272 0.000 22 3 no 0.000 0 0
1 90 TYR QE 31 no 100.0 100.0 9.912 9.912 0.000 16 6 no 0.020 0 0
1 91 PRO QB 200 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 91 PRO QD 193 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.080 0 0
1 91 PRO QG 179 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 95 PRO QB 108 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 95 PRO QD 44 no 100.0 0.0 0.000 0.000 0.000 14 10 no 0.010 0 0
1 95 PRO QG 147 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.015 0 0
1 96 GLU QB 94 no 100.0 99.7 0.098 0.098 0.000 8 0 no 0.057 0 0
1 96 GLU QG 131 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.199 0 0
1 97 ILE QG 47 no 15.0 100.0 0.015 0.015 0.000 13 4 no 0.000 0 0
1 99 VAL QG 16 no 100.0 0.0 0.000 0.000 0.000 24 10 no 0.000 0 0
1 100 PRO QB 181 no 100.0 99.9 0.069 0.069 0.000 3 0 no 0.044 0 0
1 100 PRO QD 54 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 100 PRO QG 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 101 GLU QB 92 no 10.0 95.6 0.007 0.007 0.000 9 1 no 0.064 0 0
1 102 LEU QD 3 no 100.0 100.0 1.745 1.745 0.000 40 8 no 0.028 0 0
1 103 ASP QB 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.060 0 0
1 105 LYS QB 107 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.026 0 0
1 105 LYS QG 192 no 0.0 0.0 0.000 0.005 0.005 2 0 no 0.186 0 0
1 110 TYR QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 111 ARG QG 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 112 GLY QA 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 114 LYS QB 130 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.057 0 0
1 114 LYS QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 114 LYS QG 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 115 ILE QG 180 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 116 CYS QB 166 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.039 0 0
1 117 LEU QB 165 no 100.0 99.1 0.005 0.005 0.000 4 0 no 0.029 0 0
1 117 LEU QD 6 no 100.0 100.0 1.924 1.924 0.000 36 11 no 0.033 0 0
1 119 ASP QB 188 no 80.0 55.6 0.000 0.000 0.000 2 0 no 0.021 0 0
1 121 PHE QB 106 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.022 0 0
1 122 LYS QB 41 no 75.0 97.7 0.064 0.065 0.001 14 6 no 0.075 0 0
1 122 LYS QD 144 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.032 0 0
1 122 LYS QG 85 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 123 PRO QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 123 PRO QD 43 no 0.0 0.0 0.000 0.001 0.001 14 8 no 0.065 0 0
1 123 PRO QG 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 124 LEU QB 103 no 100.0 100.0 0.151 0.151 0.000 8 1 no 0.000 0 0
1 124 LEU QD 15 no 100.0 100.0 2.378 2.378 0.000 25 7 no 0.026 0 0
1 125 TRP QB 91 no 100.0 100.0 0.155 0.155 0.000 9 0 no 0.012 0 0
1 127 ARG QB 61 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.081 0 0
1 127 ARG QG 93 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.055 0 0
1 128 ASN QB 119 no 100.0 99.9 0.027 0.027 0.000 7 0 no 0.017 0 0
1 128 ASN QD 19 no 20.0 94.4 0.017 0.018 0.001 22 9 no 0.081 0 0
1 129 VAL QG 4 no 100.0 100.0 2.822 2.822 0.001 36 8 no 0.064 0 0
1 130 PRO QD 199 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 131 LYS QB 33 no 100.0 99.6 0.141 0.141 0.001 16 8 no 0.047 0 0
1 131 LYS QD 84 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.166 0 0
1 131 LYS QE 150 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 131 LYS QG 129 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.226 0 0
1 132 PHE QB 162 no 35.0 100.0 0.017 0.017 0.000 4 0 no 0.000 0 0
1 133 GLY QA 115 no 45.0 100.0 0.103 0.103 0.000 8 5 no 0.000 0 0
1 134 LEU QB 146 no 55.0 100.0 0.223 0.223 0.000 6 3 no 0.000 0 0
1 134 LEU QD 5 no 100.0 100.0 3.857 3.858 0.000 36 11 no 0.041 0 0
1 136 HIS QB 71 no 100.0 99.9 0.091 0.091 0.000 11 2 no 0.025 0 0
1 137 LEU QB 45 no 100.0 99.9 0.127 0.127 0.000 13 1 no 0.028 0 0
1 137 LEU QD 1 no 95.0 100.0 1.813 1.813 0.000 45 18 no 0.021 0 0
1 138 MET QB 128 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.050 0 0
1 140 LEU QB 78 no 100.0 100.0 0.263 0.263 0.000 10 1 no 0.026 0 0
1 140 LEU QD 21 no 50.0 100.0 0.244 0.244 0.000 20 2 no 0.000 0 0
1 141 GLY QA 116 no 90.0 19.4 0.000 0.001 0.000 8 6 no 0.075 0 0
1 142 LEU QB 80 no 75.0 99.9 0.200 0.200 0.000 10 2 no 0.045 0 0
1 142 LEU QD 36 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 143 GLY QA 153 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 144 PRO QB 201 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 144 PRO QD 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 PRO QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 145 TRP QB 40 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.000 0 0
1 146 LEU QB 118 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 146 LEU QD 7 no 100.0 100.0 6.006 6.007 0.000 34 2 no 0.057 0 0
1 148 VAL QG 64 no 100.0 100.0 0.081 0.081 0.000 11 0 no 0.000 0 0
1 149 GLU QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 149 GLU QG 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 150 ILE QG 79 no 25.0 100.0 0.053 0.053 0.000 10 2 no 0.000 0 0
1 151 PRO QG 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.026 0 0
1 153 LEU QB 117 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 153 LEU QD 17 no 95.0 99.4 0.562 0.565 0.003 23 0 no 0.236 0 0
1 154 ILE QG 90 no 100.0 100.0 0.058 0.058 0.000 9 0 no 0.000 0 0
1 156 LYS QB 30 no 55.0 99.6 0.093 0.093 0.000 16 4 no 0.058 0 0
1 156 LYS QD 63 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.058 0 0
1 156 LYS QG 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.021 0 0
1 158 VAL QG 109 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.023 0 0
1 159 ILE QG 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 160 GLN QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 160 GLN QG 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.090 0 0
1 161 HIS QB 178 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.039 0 0
1 163 GLU QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.049 0 0
1 164 LYS QB 105 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.067 0 0
1 164 LYS QG 104 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 165 CYS QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 166 ASN QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 167 GLN QB 155 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.131 0 0
1 168 LEU QB 154 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.133 0 0
1 168 LEU QD 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.020 0 0
1 169 GLU QG 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
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