NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
523203 |
2lf4   |
17738 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lf4
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 231
_Stereo_assign_list.Swap_count 5
_Stereo_assign_list.Swap_percentage 2.2
_Stereo_assign_list.Deassign_count 5
_Stereo_assign_list.Deassign_percentage 2.2
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 30.906
_Stereo_assign_list.Total_e_high_states 138.259
_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 ILE QG 227 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 VAL QG 51 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 5 GLN QB 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 ASN QB 134 no 55.0 97.3 0.039 0.040 0.001 4 0 no 0.065 0 0
1 7 LEU QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 7 LEU QD 50 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 8 GLN QB 132 no 100.0 99.3 0.129 0.130 0.001 4 0 no 0.124 0 0
1 8 GLN QG 131 no 85.0 88.8 0.004 0.005 0.001 4 0 no 0.052 0 0
1 10 GLN QB 225 no 45.0 98.5 0.017 0.018 0.000 2 0 no 0.074 0 0
1 10 GLN QG 224 no 55.0 99.1 0.075 0.075 0.001 2 0 no 0.080 0 0
1 11 MET QB 130 no 55.0 97.4 0.001 0.001 0.000 4 0 no 0.020 0 0
1 11 MET QG 223 no 15.0 100.0 0.016 0.016 0.000 2 0 no 0.007 0 0
1 12 VAL QG 49 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 14 GLN QB 222 no 45.0 93.9 0.002 0.003 0.000 2 0 no 0.055 0 0
1 16 ILE QG 18 no 75.0 99.8 0.064 0.064 0.000 10 0 no 0.023 0 0
1 17 SER QB 48 no 100.0 100.0 0.134 0.134 0.000 6 0 no 0.000 0 0
1 18 PRO QB 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 19 ARG QB 220 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.061 0 0
1 19 ARG QD 219 no 40.0 98.6 0.000 0.000 0.000 2 0 no 0.006 0 0
1 19 ARG QG 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.024 0 0
1 21 LEU QB 128 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.080 0 0
1 21 LEU QD 25 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 22 ASN QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 24 TRP QB 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 VAL QG 62 no 60.0 100.0 0.928 0.928 0.000 5 0 no 0.009 0 0
1 26 LYS QB 126 no 65.0 99.5 0.240 0.242 0.001 4 0 no 0.094 0 0
1 26 LYS QD 217 no 15.0 91.6 0.013 0.014 0.001 2 0 no 0.076 0 0
1 26 LYS QE 216 no 60.0 82.8 0.008 0.010 0.002 2 0 no 0.095 0 0
1 26 LYS QG 215 no 40.0 88.9 0.026 0.030 0.003 2 0 no 0.102 0 0
1 27 VAL QG 47 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.044 0 0
1 28 VAL QG 22 no 100.0 100.0 4.880 4.881 0.001 10 4 no 0.102 0 0
1 29 GLU QB 125 no 65.0 94.4 0.030 0.032 0.002 4 0 no 0.068 0 0
1 29 GLU QG 124 no 75.0 87.1 0.007 0.008 0.001 4 0 no 0.085 0 0
1 30 GLU QB 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 30 GLU QG 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 LYS QB 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 LYS QD 121 no 55.0 98.9 0.092 0.092 0.001 4 0 no 0.089 0 0
1 31 LYS QG 120 no 35.0 99.6 0.162 0.162 0.001 4 0 no 0.091 0 0
1 33 PHE QD 213 no 80.0 94.8 0.109 0.115 0.006 2 0 no 0.347 0 0
1 33 PHE QE 231 no 90.0 99.7 2.604 2.613 0.008 1 1 no 0.401 0 0
1 36 GLU QB 230 no 95.0 99.9 2.690 2.691 0.001 1 0 no 0.066 0 0
1 36 GLU QG 119 no 25.0 96.0 0.050 0.053 0.002 4 0 no 0.138 0 0
1 37 VAL QG 17 no 70.0 99.9 0.305 0.305 0.000 10 0 no 0.074 0 0
1 39 PRO QB 229 no 100.0 99.9 0.026 0.026 0.000 1 0 no 0.016 0 0
1 40 MET QB 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 40 MET QG 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 41 PHE QB 211 no 70.0 100.0 0.093 0.093 0.000 2 0 no 0.000 0 0
1 41 PHE QD 210 no 90.0 100.0 0.006 0.006 0.000 2 0 no 0.000 0 0
1 44 LEU QB 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 44 LEU QD 8 no 100.0 100.0 1.721 1.721 0.000 12 0 no 0.045 0 0
1 46 GLU QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 GLN QG 139 no 5.0 100.0 0.010 0.010 0.000 4 4 no 0.002 0 0
1 52 ASP QB 208 no 50.0 99.4 0.011 0.011 0.000 2 0 no 0.028 0 0
1 53 LEU QB 116 no 100.0 25.6 0.000 0.002 0.001 4 0 no 0.095 0 0
1 53 LEU QD 6 no 95.0 99.9 1.475 1.476 0.001 13 0 no 0.062 0 0
1 54 ASN QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 57 LEU QD 24 no 55.0 77.1 0.002 0.003 0.001 8 0 no 0.058 0 0
1 58 ASN QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.034 0 0
1 60 VAL QG 7 no 95.0 100.0 3.600 3.600 0.000 13 4 no 0.032 0 0
1 63 HIS QB 142 no 40.0 98.4 0.492 0.500 0.008 3 1 no 0.401 0 0
1 64 GLN QB 115 no 100.0 99.0 0.046 0.046 0.000 4 0 no 0.037 0 0
1 64 GLN QG 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 67 MET QB 46 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.056 0 0
1 67 MET QG 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 GLN QB 113 no 40.0 43.6 0.001 0.003 0.002 4 0 no 0.045 0 0
1 68 GLN QG 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.013 0 0
1 70 LEU QB 61 no 90.0 100.0 0.199 0.199 0.000 6 4 no 0.000 0 0
1 70 LEU QD 3 no 100.0 100.0 1.125 1.125 0.000 14 4 no 0.036 0 0
1 71 LYS QG 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 ILE QG 203 no 95.0 100.0 0.182 0.182 0.000 2 0 no 0.000 0 0
1 75 ASN QB 45 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 76 GLU QB 111 no 100.0 100.0 0.206 0.206 0.000 4 0 no 0.021 0 0
1 76 GLU QG 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 80 GLU QB 202 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.090 0 0
1 80 GLU QG 109 no 35.0 79.2 0.006 0.007 0.002 4 0 no 0.092 0 0
1 81 TRP QB 201 no 65.0 93.9 0.003 0.003 0.000 2 0 no 0.044 0 0
1 82 ASP QB 44 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.005 0 0
1 83 ARG QG 43 no 100.0 81.1 0.013 0.015 0.003 6 0 no 0.098 0 0
1 84 LEU QB 108 no 65.0 86.3 0.011 0.013 0.002 4 0 no 0.133 0 0
1 84 LEU QD 42 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 87 VAL QG 41 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 88 HIS QB 107 no 85.0 99.8 0.025 0.025 0.000 4 0 no 0.020 0 0
1 92 ILE QG 106 no 35.0 88.6 0.015 0.017 0.002 4 0 no 0.085 0 0
1 94 PRO QB 200 no 100.0 100.0 0.059 0.059 0.000 2 0 no 0.000 0 0
1 94 PRO QD 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 GLY QA 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 MET QB 105 no 85.0 100.0 0.147 0.147 0.000 4 0 no 0.004 0 0
1 98 ARG QB 141 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 98 ARG QD 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 102 GLY QA 104 no 100.0 100.0 1.330 1.330 0.000 4 0 no 0.038 0 0
1 107 GLY QA 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 110 SER QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 112 LEU QB 60 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 112 LEU QD 5 no 65.0 100.0 0.295 0.295 0.000 14 8 no 0.012 0 0
1 113 GLN QB 194 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.038 0 0
1 113 GLN QG 103 no 100.0 29.4 0.000 0.000 0.000 4 0 no 0.065 0 0
1 115 GLN QB 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.039 0 0
1 115 GLN QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.022 0 0
1 116 ILE QG 101 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 117 GLY QA 192 no 100.0 99.5 0.019 0.019 0.000 2 0 no 0.028 0 0
1 118 TRP QB 100 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 119 MET QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 121 HIS QB 99 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 122 ASN QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 124 PRO QB 189 no 100.0 100.0 0.046 0.046 0.000 2 0 no 0.000 0 0
1 124 PRO QD 188 no 100.0 99.4 0.715 0.720 0.005 2 0 no 0.086 0 0
1 125 ILE QG 187 no 100.0 100.0 0.124 0.124 0.000 2 0 no 0.007 0 0
1 127 VAL QG 16 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.060 0 0
1 128 GLY QA 186 no 100.0 100.0 1.034 1.034 0.000 2 0 no 0.032 0 0
1 129 GLU QG 98 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.095 0 0
1 130 ILE QG 97 no 15.0 97.6 0.014 0.014 0.000 4 0 no 0.052 0 0
1 131 TYR QD 96 no 100.0 100.0 1.918 1.919 0.001 4 0 no 0.062 0 0
1 131 TYR QE 95 no 100.0 100.0 14.359 14.360 0.000 4 0 no 0.049 0 0
1 132 LYS QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 132 LYS QD 184 no 85.0 91.1 0.012 0.014 0.001 2 0 no 0.109 0 0
1 132 LYS QE 183 no 70.0 93.0 0.012 0.012 0.001 2 0 no 0.070 0 0
1 132 LYS QG 94 no 10.0 92.5 0.004 0.004 0.000 4 0 no 0.064 0 0
1 134 TRP QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 137 LEU QB 21 no 100.0 100.0 1.018 1.018 0.000 10 4 no 0.028 0 0
1 137 LEU QD 2 no 100.0 100.0 2.391 2.391 0.000 15 4 no 0.002 0 0
1 138 GLY QA 181 no 100.0 99.8 1.337 1.339 0.002 2 0 no 0.073 0 0
1 139 LEU QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 LEU QD 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 140 ASN QB 92 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.094 0 0
1 142 ILE QG 179 no 95.0 100.0 0.055 0.055 0.000 2 0 no 0.000 0 0
1 143 VAL QG 19 no 100.0 17.0 1.179 6.941 5.762 10 2 yes 1.844 2 5
1 144 ARG QB 91 no 60.0 99.8 0.114 0.114 0.000 4 0 no 0.053 0 0
1 144 ARG QD 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 144 ARG QG 90 no 100.0 37.0 0.000 0.000 0.000 4 0 no 0.037 0 0
1 146 TYR QB 177 no 75.0 98.7 0.014 0.014 0.000 2 0 no 0.034 0 0
1 146 TYR QD 63 yes 85.0 92.3 5.391 5.842 0.451 5 2 yes 1.181 2 2
1 146 TYR QE 140 yes 85.0 82.4 2.184 2.651 0.468 3 0 yes 1.729 4 5
1 147 SER QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 148 PRO QD 175 no 30.0 82.0 0.004 0.004 0.001 2 0 no 0.055 0 0
1 150 SER QB 89 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 151 ILE QG 174 no 75.0 94.2 0.013 0.014 0.001 2 0 no 0.060 0 0
1 152 LEU QB 59 no 85.0 98.1 0.027 0.027 0.001 6 4 no 0.042 0 0
1 152 LEU QD 4 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.007 0 0
1 153 ASP QB 58 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 154 ILE QG 88 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 155 ARG QB 173 no 75.0 99.5 0.057 0.057 0.000 2 0 no 0.045 0 0
1 155 ARG QD 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 156 GLN QG 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 157 GLY QA 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 158 PRO QB 170 no 5.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 158 PRO QG 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 159 LYS QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 159 LYS QE 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 160 GLU QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 161 PRO QG 228 no 100.0 100.0 0.480 0.480 0.000 1 0 no 0.014 0 0
1 162 PHE QD 11 no 45.0 90.5 0.000 0.000 0.000 11 4 no 0.017 0 0
1 162 PHE QE 20 yes 100.0 100.0 17.547 17.549 0.002 10 4 no 0.045 0 0
1 163 ARG QB 57 no 75.0 66.5 0.001 0.001 0.000 6 4 no 0.093 0 0
1 163 ARG QD 28 no 95.0 47.9 0.002 0.003 0.002 8 4 no 0.112 0 0
1 163 ARG QG 86 no 90.0 98.6 0.043 0.044 0.001 4 0 no 0.090 0 0
1 164 ASP QB 135 no 100.0 100.0 0.590 0.590 0.000 4 2 no 0.028 0 0
1 165 TYR QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 166 VAL QG 15 no 100.0 92.5 0.000 0.000 0.000 10 0 no 0.024 0 0
1 167 ASP QB 53 no 100.0 100.0 2.689 2.689 0.000 6 2 no 0.028 0 0
1 168 ARG QB 85 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.036 0 0
1 168 ARG QD 164 no 45.0 96.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 168 ARG QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.016 0 0
1 169 PHE QB 138 no 100.0 100.0 0.000 0.000 0.000 4 4 no 0.018 0 0
1 169 PHE QD 10 no 80.0 55.5 0.547 0.986 0.439 11 2 yes 1.590 4 4
1 169 PHE QE 23 no 60.0 27.5 0.465 1.692 1.227 9 2 yes 1.894 8 15
1 170 TYR QD 52 yes 100.0 100.0 3.041 3.041 0.000 6 2 no 0.000 0 0
1 170 TYR QE 27 yes 100.0 100.0 20.685 20.687 0.002 8 2 no 0.091 0 0
1 171 LYS QB 84 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 171 LYS QE 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 171 LYS QG 83 no 95.0 55.8 0.001 0.002 0.001 4 0 no 0.146 0 0
1 173 LEU QD 40 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 174 ARG QB 39 no 35.0 98.8 0.065 0.066 0.001 6 0 no 0.104 0 0
1 174 ARG QD 161 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.028 0 0
1 176 GLU QB 82 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 176 GLU QG 81 no 35.0 89.4 0.021 0.023 0.002 4 0 no 0.082 0 0
1 177 GLN QB 80 no 25.0 98.8 0.001 0.001 0.000 4 0 no 0.018 0 0
1 177 GLN QG 38 no 30.0 94.7 0.021 0.023 0.001 6 0 no 0.092 0 0
1 179 SER QB 160 no 5.0 96.9 0.000 0.000 0.000 2 0 no 0.006 0 0
1 180 GLN QB 37 no 20.0 84.1 0.004 0.005 0.001 6 0 no 0.062 0 0
1 180 GLN QG 79 no 80.0 97.9 0.011 0.011 0.000 4 0 no 0.030 0 0
1 181 GLU QB 78 no 85.0 89.7 0.021 0.023 0.002 4 0 no 0.075 0 0
1 181 GLU QG 159 no 70.0 99.5 0.011 0.011 0.000 2 0 no 0.018 0 0
1 182 VAL QG 14 no 55.0 82.3 0.002 0.003 0.001 10 0 no 0.054 0 0
1 183 LYS QB 77 no 95.0 94.0 0.184 0.196 0.012 4 0 no 0.396 0 0
1 183 LYS QE 158 no 60.0 98.2 0.069 0.070 0.001 2 0 no 0.144 0 0
1 183 LYS QG 76 no 35.0 97.2 0.081 0.084 0.002 4 0 no 0.188 0 0
1 184 ASN QB 36 no 80.0 98.3 0.055 0.055 0.001 6 0 no 0.060 0 0
1 188 GLU QB 13 no 45.0 24.0 0.002 0.007 0.006 10 0 no 0.096 0 0
1 188 GLU QG 35 no 100.0 98.9 0.437 0.442 0.005 6 0 no 0.082 0 0
1 190 LEU QB 75 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 190 LEU QD 26 no 100.0 0.0 0.000 0.090 0.090 8 2 no 0.000 0 0
1 191 LEU QD 1 no 100.0 9.8 2.429 24.754 22.325 30 18 no 0.119 0 0
1 192 VAL QG 74 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 193 GLN QB 73 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 193 GLN QG 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 199 CYS QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 200 LYS QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 200 LYS QE 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.027 0 0
1 200 LYS QG 72 no 35.0 85.5 0.003 0.004 0.001 4 0 no 0.063 0 0
1 202 ILE QG 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 203 LEU QB 152 no 60.0 100.0 0.001 0.001 0.000 2 0 no 0.000 0 0
1 203 LEU QD 34 no 100.0 93.0 0.038 0.041 0.003 6 0 no 0.116 0 0
1 204 LYS QB 71 no 85.0 93.6 0.006 0.006 0.000 4 0 no 0.084 0 0
1 204 LYS QE 70 no 60.0 78.9 0.001 0.002 0.000 4 0 no 0.043 0 0
1 204 LYS QG 33 no 15.0 97.5 0.024 0.025 0.001 6 0 no 0.103 0 0
1 206 LEU QB 151 no 30.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 206 LEU QD 9 no 100.0 100.0 1.552 1.552 0.000 12 4 no 0.019 0 0
1 208 PRO QB 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 208 PRO QG 149 no 30.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 212 LEU QB 137 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 212 LEU QD 56 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 213 GLU QG 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 214 GLU QB 69 no 65.0 99.0 0.066 0.067 0.001 4 0 no 0.047 0 0
1 214 GLU QG 32 no 95.0 94.9 0.067 0.070 0.004 6 0 no 0.063 0 0
1 215 MET QB 31 no 100.0 99.9 0.161 0.161 0.000 6 0 no 0.020 0 0
1 215 MET QG 136 no 10.0 100.0 0.001 0.001 0.000 4 4 no 0.000 0 0
1 216 MET QG 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 219 CYS QB 30 no 90.0 99.8 0.048 0.048 0.000 6 0 no 0.027 0 0
1 220 GLN QB 68 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 220 GLN QG 29 no 10.0 99.9 0.001 0.001 0.000 6 0 no 0.003 0 0
1 222 VAL QG 12 no 10.0 100.0 0.001 0.001 0.000 10 0 no 0.002 0 0
1 225 PRO QB 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 225 PRO QG 145 no 85.0 100.0 0.028 0.028 0.000 2 0 no 0.000 0 0
1 227 HIS QB 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 228 LYS QB 143 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.059 0 0
1 228 LYS QG 67 no 100.0 97.2 0.047 0.049 0.001 4 0 no 0.097 0 0
1 230 ARG QB 66 no 80.0 93.4 0.028 0.030 0.002 4 0 no 0.091 0 0
1 230 ARG QG 65 no 100.0 89.4 0.006 0.007 0.001 4 0 no 0.032 0 0
1 231 VAL QG 64 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 232 LEU QB 55 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 232 LEU QD 54 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
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