NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412057 |
2ayx   |
6810 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2ayx
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 237
_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 0.281
_Stereo_assign_list.Total_e_high_states 143.141
_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 9 LEU QB 197 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 9 LEU QD 39 no 90.0 100.0 3.417 3.417 0.001 14 6 no 0.062 0 0
1 11 GLY QA 219 no 100.0 77.7 0.001 0.001 0.000 2 2 no 0.114 0 0
1 12 LYS QB 179 no 15.0 100.0 0.001 0.001 0.000 4 0 no 0.000 0 0
1 12 LYS QD 178 no 60.0 99.5 0.168 0.169 0.001 4 0 no 0.072 0 0
1 12 LYS QG 139 no 90.0 99.7 1.041 1.044 0.003 6 0 no 0.167 0 0
1 13 ARG QB 85 no 95.0 100.0 0.258 0.258 0.000 9 1 no 0.001 0 0
1 13 ARG QD 107 no 60.0 99.6 0.227 0.228 0.001 8 2 no 0.116 0 0
1 13 ARG QG 112 no 90.0 99.9 1.051 1.052 0.001 8 3 no 0.114 0 0
1 16 LEU QD 14 no 100.0 99.9 3.191 3.194 0.003 25 3 no 0.170 0 0
1 18 VAL QG 4 no 100.0 100.0 6.222 6.222 0.000 36 12 no 0.034 0 0
1 19 ARG QB 138 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.177 0 0
1 19 ARG QG 80 no 85.0 99.3 0.571 0.574 0.004 9 0 no 0.139 0 0
1 20 ASN QB 38 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.042 0 0
1 23 LEU QB 57 no 100.0 100.0 0.741 0.742 0.000 11 4 no 0.042 0 0
1 23 LEU QD 7 no 100.0 100.0 8.132 8.132 0.000 29 9 no 0.047 0 0
1 24 CYS QB 43 no 75.0 99.6 0.143 0.144 0.001 13 3 no 0.059 0 0
1 25 GLN QG 121 no 75.0 99.7 0.810 0.813 0.002 7 0 no 0.105 0 0
1 26 PHE QB 120 no 85.0 100.0 0.056 0.056 0.000 7 0 no 0.006 0 0
1 27 LEU QB 73 no 100.0 99.8 0.145 0.145 0.000 10 4 no 0.061 0 0
1 27 LEU QD 27 no 100.0 100.0 2.232 2.232 0.000 17 3 no 0.015 0 0
1 28 GLU QB 106 no 55.0 97.3 0.074 0.076 0.002 8 2 no 0.109 0 0
1 28 GLU QG 84 no 80.0 99.9 0.466 0.467 0.000 9 1 no 0.049 0 0
1 30 SER QB 125 no 100.0 100.0 0.001 0.001 0.000 7 1 no 0.064 0 0
1 31 LEU QB 59 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 31 LEU QD 26 no 100.0 100.0 0.947 0.947 0.000 17 2 no 0.000 0 0
1 32 GLN QB 45 no 70.0 99.6 0.115 0.116 0.000 12 0 no 0.042 0 0
1 32 GLN QE 196 no 80.0 100.0 0.626 0.626 0.000 3 0 no 0.011 0 0
1 32 GLN QG 58 no 75.0 99.9 0.931 0.931 0.001 10 0 no 0.089 0 0
1 33 ARG QG 98 no 30.0 86.8 0.025 0.029 0.004 8 0 no 0.118 0 0
1 34 SER QB 92 no 85.0 91.7 0.001 0.001 0.000 9 4 no 0.067 0 0
1 35 GLY QA 183 no 60.0 100.0 0.280 0.280 0.000 4 1 no 0.040 0 0
1 36 ILE QG 32 no 85.0 99.6 0.149 0.150 0.001 15 4 no 0.062 0 0
1 37 VAL QG 20 no 95.0 99.9 3.413 3.416 0.003 21 8 no 0.157 0 0
1 42 GLU QB 218 no 40.0 100.0 0.046 0.046 0.000 2 2 no 0.018 0 0
1 43 GLY QA 177 no 75.0 99.9 0.376 0.376 0.000 4 0 no 0.079 0 0
1 44 GLN QB 119 no 100.0 100.0 0.000 0.000 0.000 7 0 no 0.050 0 0
1 44 GLN QE 69 no 85.0 100.0 1.473 1.473 0.001 10 2 no 0.066 0 0
1 44 GLN QG 157 no 65.0 100.0 0.164 0.164 0.000 5 0 no 0.025 0 0
1 46 PRO QB 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 PRO QD 156 no 10.0 100.0 0.005 0.005 0.000 5 0 no 0.000 0 0
1 46 PRO QG 155 no 100.0 100.0 0.387 0.387 0.000 5 0 no 0.030 0 0
1 48 PRO QB 195 no 35.0 100.0 0.009 0.009 0.000 3 0 no 0.006 0 0
1 48 PRO QD 97 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.018 0 0
1 48 PRO QG 214 no 100.0 100.0 0.533 0.533 0.000 2 0 no 0.000 0 0
1 49 GLU QB 154 no 65.0 99.6 0.292 0.293 0.001 5 0 no 0.124 0 0
1 49 GLU QG 137 no 15.0 8.4 0.001 0.017 0.015 6 0 no 0.256 0 0
1 50 ASP QB 96 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 51 VAL QG 2 no 100.0 100.0 5.703 5.703 0.000 42 11 no 0.042 0 0
1 52 LEU QB 105 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 52 LEU QD 1 no 100.0 100.0 3.550 3.552 0.002 43 6 no 0.067 0 0
1 53 ILE QG 111 no 80.0 99.7 0.255 0.256 0.001 8 3 no 0.064 0 0
1 55 ASP QB 74 no 50.0 99.6 0.484 0.486 0.002 10 5 no 0.117 0 0
1 56 GLU QB 176 no 50.0 100.0 0.004 0.004 0.000 4 0 no 0.000 0 0
1 56 GLU QG 124 no 50.0 98.3 0.164 0.167 0.003 7 1 no 0.172 0 0
1 57 VAL QG 89 no 90.0 99.9 3.429 3.433 0.004 9 2 no 0.172 0 0
1 58 VAL QG 49 no 35.0 99.8 0.216 0.216 0.000 12 6 no 0.061 0 0
1 60 LYS QB 56 no 70.0 96.3 0.080 0.083 0.003 11 4 no 0.174 0 0
1 61 LYS QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 61 LYS QD 136 no 40.0 97.6 0.071 0.073 0.002 6 0 no 0.124 0 0
1 62 TRP QB 48 no 100.0 100.0 0.000 0.000 0.000 12 6 no 0.030 0 0
1 63 GLN QG 174 no 45.0 88.9 0.009 0.010 0.001 4 0 no 0.090 0 0
1 64 GLY QA 79 no 100.0 100.0 0.291 0.291 0.000 9 0 no 0.016 0 0
1 65 ARG QB 29 no 100.0 100.0 0.813 0.813 0.000 15 1 no 0.038 0 0
1 65 ARG QD 30 no 100.0 99.4 0.212 0.213 0.001 15 2 no 0.103 0 0
1 65 ARG QG 34 no 75.0 99.0 0.207 0.209 0.002 14 1 no 0.159 0 0
1 67 VAL QG 11 no 100.0 99.9 0.119 0.119 0.000 27 9 no 0.050 0 0
1 68 VAL QG 17 no 100.0 100.0 1.987 1.987 0.001 24 9 no 0.100 0 0
1 70 PHE QB 68 no 100.0 100.0 0.003 0.003 0.000 10 2 no 0.110 0 0
1 74 HIS QB 158 no 60.0 99.1 0.393 0.397 0.003 5 1 no 0.124 0 0
1 75 ILE QG 95 no 85.0 99.9 0.711 0.712 0.001 8 0 no 0.089 0 0
1 76 GLY QA 194 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 77 ILE QG 182 no 30.0 97.5 0.059 0.061 0.002 4 1 no 0.131 0 0
1 78 PRO QD 83 no 75.0 99.3 0.180 0.182 0.001 9 1 no 0.138 0 0
1 79 LEU QB 72 no 100.0 99.2 0.594 0.599 0.005 10 4 no 0.126 0 0
1 80 GLU QB 193 no 30.0 99.2 0.049 0.050 0.000 3 0 no 0.092 0 0
1 80 GLU QG 44 no 95.0 98.2 1.562 1.591 0.029 12 0 no 0.227 0 0
1 81 LYS QG 55 no 90.0 99.9 0.650 0.651 0.001 11 4 no 0.103 0 0
1 83 PRO QB 213 no 80.0 99.6 0.033 0.033 0.000 2 0 no 0.047 0 0
1 83 PRO QD 192 no 30.0 100.0 0.022 0.022 0.000 3 0 no 0.000 0 0
1 84 GLY QA 78 no 100.0 100.0 0.000 0.000 0.000 9 0 no 0.046 0 0
1 85 GLU QB 88 no 40.0 99.6 0.130 0.131 0.001 9 2 no 0.070 0 0
1 86 TRP QB 47 no 65.0 100.0 0.124 0.124 0.000 12 4 no 0.000 0 0
1 87 VAL QG 12 no 90.0 99.9 2.369 2.372 0.003 26 7 no 0.183 0 0
1 88 HIS QB 173 no 85.0 99.9 0.133 0.133 0.000 4 0 no 0.053 0 0
1 89 SER QB 153 no 100.0 99.5 0.689 0.692 0.003 5 0 no 0.131 0 0
1 93 PRO QD 67 no 90.0 99.9 0.521 0.522 0.001 10 2 no 0.067 0 0
1 94 HIS QB 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 GLU QB 211 no 65.0 100.0 0.123 0.123 0.000 2 0 no 0.000 0 0
1 95 GLU QG 152 no 35.0 98.9 0.089 0.090 0.001 5 0 no 0.134 0 0
1 96 LEU QB 71 no 65.0 99.9 0.104 0.104 0.000 10 4 no 0.032 0 0
1 96 LEU QD 28 no 45.0 100.0 2.192 2.193 0.001 17 4 no 0.054 0 0
1 97 PRO QB 70 no 100.0 100.0 7.544 7.544 0.000 10 3 no 0.061 0 0
1 97 PRO QG 87 no 85.0 99.2 0.321 0.324 0.002 9 2 no 0.088 0 0
1 99 LEU QB 62 no 55.0 90.0 0.071 0.079 0.008 10 1 no 0.216 0 0
1 99 LEU QD 13 no 95.0 99.4 0.977 0.983 0.005 25 3 no 0.226 0 0
1 100 LEU QB 104 no 30.0 100.0 0.004 0.004 0.000 8 2 no 0.000 0 0
1 100 LEU QD 6 no 100.0 99.9 0.652 0.653 0.001 29 4 no 0.049 0 0
1 102 ARG QG 127 no 30.0 99.5 0.250 0.251 0.001 7 2 no 0.130 0 0
1 103 ILE QG 151 no 40.0 92.1 0.144 0.157 0.012 5 0 no 0.234 0 0
1 104 TYR QB 31 no 30.0 99.3 0.215 0.216 0.001 15 4 no 0.126 0 0
1 105 LEU QB 146 no 95.0 99.9 0.984 0.985 0.001 6 2 no 0.063 0 0
1 105 LEU QD 150 no 5.0 95.5 0.008 0.009 0.000 5 0 no 0.087 0 0
1 106 ILE QG 103 no 20.0 98.1 0.058 0.060 0.001 8 2 no 0.126 0 0
1 107 GLU QB 191 no 30.0 95.8 0.002 0.002 0.000 3 0 no 0.039 0 0
1 107 GLU QG 66 no 90.0 99.6 0.728 0.731 0.003 10 2 no 0.092 0 0
1 108 MET QB 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 MET QG 135 no 55.0 97.5 0.064 0.066 0.002 6 0 no 0.104 0 0
1 109 GLU QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.051 0 0
1 112 ASP QB 209 no 65.0 99.5 0.320 0.321 0.002 2 0 no 0.148 0 0
1 115 ASN QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 125 SER QB 190 no 70.0 100.0 0.137 0.137 0.000 3 0 no 0.009 0 0
1 127 ASN QB 189 no 95.0 100.0 0.600 0.600 0.000 3 0 no 0.000 0 0
1 127 ASN QD 235 no 85.0 100.0 0.167 0.167 0.000 1 0 no 0.000 0 0
1 128 ASP QB 171 no 15.0 95.8 0.011 0.011 0.000 4 0 no 0.091 0 0
1 129 ASP QB 188 no 45.0 97.5 0.016 0.016 0.000 3 0 no 0.068 0 0
1 130 MET QB 134 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.059 0 0
1 131 MET QG 133 no 45.0 99.9 0.273 0.274 0.000 6 0 no 0.041 0 0
1 132 ILE QG 110 no 35.0 100.0 0.099 0.099 0.000 8 3 no 0.016 0 0
1 133 LEU QB 91 no 50.0 95.0 0.097 0.103 0.005 9 3 no 0.177 0 0
1 134 VAL QG 5 no 75.0 100.0 2.032 2.032 0.000 31 5 no 0.064 0 0
1 136 ASP QB 90 no 90.0 100.0 0.819 0.819 0.000 9 3 no 0.042 0 0
1 137 ASP QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 PRO QB 234 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 140 ILE QG 233 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 141 ASN QB 82 no 55.0 99.5 0.067 0.067 0.000 9 1 no 0.062 0 0
1 141 ASN QD 232 no 80.0 100.0 0.208 0.208 0.000 1 0 no 0.000 0 0
1 142 ARG QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 142 ARG QG 77 no 85.0 98.6 0.506 0.513 0.007 9 0 no 0.336 0 0
1 143 ARG QD 145 no 65.0 99.2 1.283 1.293 0.010 6 2 no 0.183 0 0
1 144 LEU QB 102 no 100.0 98.5 0.694 0.705 0.010 8 2 no 0.183 0 0
1 144 LEU QD 126 no 10.0 100.0 0.009 0.009 0.000 7 2 no 0.000 0 0
1 145 LEU QB 109 no 100.0 99.4 0.115 0.116 0.001 8 3 no 0.095 0 0
1 147 ASP QB 94 no 95.0 99.8 0.173 0.173 0.000 8 0 no 0.075 0 0
1 148 GLN QE 237 no 10.0 100.0 0.003 0.003 0.000 1 1 no 0.000 0 0
1 148 GLN QG 113 no 35.0 98.7 0.074 0.075 0.001 8 5 no 0.087 0 0
1 149 LEU QB 81 no 60.0 99.5 0.201 0.202 0.001 9 1 no 0.085 0 0
1 149 LEU QD 10 no 35.0 100.0 0.832 0.832 0.000 27 8 no 0.026 0 0
1 150 GLY QA 162 no 25.0 100.0 0.058 0.058 0.000 5 2 no 0.000 0 0
1 152 LEU QB 132 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.121 0 0
1 154 TYR QB 101 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.026 0 0
1 155 GLN QB 118 no 100.0 99.9 0.241 0.241 0.000 7 0 no 0.059 0 0
1 155 GLN QE 231 no 35.0 100.0 0.078 0.078 0.000 1 0 no 0.000 0 0
1 155 GLN QG 93 no 55.0 94.8 0.049 0.052 0.003 8 0 no 0.101 0 0
1 157 LYS QB 33 no 100.0 99.4 0.131 0.132 0.001 15 5 no 0.075 0 0
1 157 LYS QD 42 no 100.0 100.0 3.299 3.300 0.001 13 3 no 0.073 0 0
1 157 LYS QG 142 no 85.0 100.0 0.079 0.079 0.000 6 1 no 0.020 0 0
1 160 ASN QB 187 no 35.0 100.0 0.005 0.005 0.000 3 0 no 0.000 0 0
1 161 ASP QB 205 no 5.0 80.4 0.011 0.014 0.003 2 0 no 0.231 0 0
1 162 GLY QA 161 no 75.0 99.9 0.487 0.487 0.000 5 2 no 0.058 0 0
1 163 VAL QG 41 no 50.0 99.4 0.534 0.538 0.003 13 3 no 0.173 0 0
1 164 ASP QB 76 no 5.0 68.1 0.000 0.001 0.000 9 0 no 0.055 0 0
1 166 LEU QB 117 no 45.0 99.8 0.143 0.143 0.000 7 0 no 0.052 0 0
1 166 LEU QD 46 no 80.0 100.0 3.012 3.013 0.001 12 3 no 0.063 0 0
1 167 ASN QD 230 no 80.0 99.8 0.067 0.067 0.000 1 0 no 0.033 0 0
1 168 VAL QG 8 no 100.0 100.0 0.698 0.699 0.000 28 6 no 0.052 0 0
1 169 LEU QB 149 no 15.0 100.0 0.063 0.063 0.000 5 0 no 0.000 0 0
1 169 LEU QD 18 no 100.0 100.0 3.284 3.285 0.001 23 3 no 0.071 0 0
1 171 LYS QB 123 no 90.0 100.0 1.114 1.114 0.000 7 1 no 0.052 0 0
1 171 LYS QG 170 no 40.0 98.9 0.011 0.011 0.000 4 0 no 0.044 0 0
1 172 ASN QD 229 no 20.0 99.5 0.196 0.197 0.001 1 0 no 0.122 0 0
1 175 ASP QB 65 no 85.0 100.0 0.397 0.397 0.000 10 2 no 0.029 0 0
1 176 ILE QG 164 no 50.0 99.8 0.774 0.775 0.001 5 3 no 0.083 0 0
1 177 VAL QG 16 no 100.0 100.0 4.016 4.016 0.000 24 8 no 0.060 0 0
1 178 LEU QB 75 no 65.0 100.0 0.063 0.063 0.000 9 0 no 0.000 0 0
1 179 SER QB 64 no 15.0 96.6 0.016 0.017 0.001 10 2 no 0.092 0 0
1 180 ASP QB 204 no 5.0 99.9 0.007 0.007 0.000 2 0 no 0.010 0 0
1 181 VAL QG 100 no 50.0 100.0 0.052 0.052 0.000 8 2 no 0.005 0 0
1 182 ASN QB 144 no 95.0 99.9 0.219 0.220 0.000 6 2 no 0.074 0 0
1 183 MET QG 228 no 10.0 90.0 0.002 0.002 0.000 1 0 no 0.064 0 0
1 188 GLY QA 227 no 55.0 100.0 0.226 0.226 0.000 1 0 no 0.021 0 0
1 190 ARG QD 54 no 100.0 99.5 2.438 2.451 0.013 11 4 no 0.163 0 0
1 191 LEU QB 160 no 95.0 100.0 1.984 1.985 0.001 5 2 no 0.078 0 0
1 191 LEU QD 52 no 100.0 100.0 0.000 0.000 0.000 11 2 no 0.046 0 0
1 193 GLN QB 226 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 193 GLN QG 169 no 95.0 56.8 0.000 0.000 0.000 4 0 no 0.074 0 0
1 194 ARG QB 163 no 90.0 99.5 0.589 0.592 0.003 5 3 no 0.105 0 0
1 194 ARG QD 131 no 10.0 96.6 0.006 0.007 0.000 6 0 no 0.043 0 0
1 196 ARG QD 148 no 30.0 99.8 0.170 0.170 0.000 5 0 no 0.051 0 0
1 196 ARG QG 141 no 30.0 99.9 0.102 0.102 0.000 6 1 no 0.025 0 0
1 197 GLN QB 99 no 100.0 99.9 0.457 0.457 0.000 8 1 no 0.040 0 0
1 197 GLN QG 116 no 50.0 96.5 0.206 0.213 0.007 7 0 no 0.184 0 0
1 198 LEU QB 143 no 5.0 96.7 0.009 0.009 0.000 6 2 no 0.062 0 0
1 199 GLY QA 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 200 LEU QB 53 no 55.0 99.6 0.283 0.284 0.001 11 3 no 0.080 0 0
1 202 LEU QB 108 no 75.0 99.8 0.285 0.285 0.001 8 3 no 0.065 0 0
1 202 LEU QD 22 no 95.0 100.0 2.316 2.317 0.000 19 3 no 0.071 0 0
1 205 ILE QG 147 no 20.0 100.0 0.078 0.078 0.000 5 0 no 0.005 0 0
1 206 GLY QA 186 no 5.0 3.7 0.000 0.000 0.000 3 0 no 0.071 0 0
1 207 VAL QG 9 no 85.0 99.9 0.505 0.505 0.000 28 11 no 0.059 0 0
1 210 ASN QB 225 no 60.0 99.4 0.208 0.209 0.001 1 0 no 0.150 0 0
1 212 LEU QB 224 no 40.0 100.0 0.028 0.028 0.000 1 0 no 0.000 0 0
1 212 LEU QD 223 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 214 GLU QG 222 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 215 GLU QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 215 GLU QG 217 no 75.0 99.8 0.779 0.781 0.001 2 1 no 0.082 0 0
1 216 LYS QB 181 no 95.0 99.8 0.882 0.883 0.001 4 1 no 0.082 0 0
1 216 LYS QE 216 no 60.0 100.0 0.715 0.715 0.000 2 1 no 0.040 0 0
1 216 LYS QG 122 no 100.0 100.0 2.779 2.779 0.000 7 1 no 0.037 0 0
1 217 GLN QB 130 no 70.0 100.0 0.220 0.220 0.000 6 0 no 0.000 0 0
1 218 ARG QB 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 218 ARG QG 201 no 5.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 219 CYS QB 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 220 LEU QB 166 no 30.0 100.0 0.075 0.075 0.000 4 0 no 0.000 0 0
1 221 GLU QB 129 no 10.0 98.8 0.003 0.003 0.000 6 0 no 0.027 0 0
1 221 GLU QG 128 no 60.0 98.4 0.042 0.042 0.001 6 0 no 0.096 0 0
1 222 SER QB 221 no 5.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 225 ASP QB 115 no 55.0 100.0 0.064 0.064 0.000 7 0 no 0.000 0 0
1 227 CYS QB 184 no 5.0 100.0 0.004 0.004 0.000 4 2 no 0.000 0 0
1 228 LEU QB 37 no 85.0 99.6 1.347 1.352 0.005 14 5 no 0.124 0 0
1 228 LEU QD 25 no 100.0 99.9 1.264 1.265 0.002 18 4 no 0.137 0 0
1 229 SER QB 185 no 15.0 94.6 0.011 0.011 0.001 3 0 no 0.071 0 0
1 230 LYS QB 114 no 95.0 99.9 0.128 0.128 0.000 7 0 no 0.040 0 0
1 230 LYS QG 199 no 30.0 98.9 0.016 0.016 0.000 3 2 no 0.059 0 0
1 231 PRO QB 220 no 15.0 99.8 0.053 0.053 0.000 1 0 no 0.047 0 0
1 232 VAL QG 21 no 100.0 100.0 3.997 3.998 0.000 20 5 no 0.048 0 0
1 234 LEU QB 63 no 100.0 99.9 1.348 1.349 0.001 10 2 no 0.087 0 0
1 234 LEU QD 19 no 95.0 99.9 0.764 0.765 0.001 23 6 no 0.089 0 0
1 235 ASP QB 180 no 30.0 97.9 0.014 0.015 0.000 4 1 no 0.060 0 0
1 236 VAL QG 24 no 35.0 98.2 0.244 0.249 0.004 18 3 no 0.109 0 0
1 237 ILE QG 159 no 70.0 99.8 1.131 1.133 0.002 5 2 no 0.079 0 0
1 238 LYS QB 86 no 65.0 98.4 0.030 0.030 0.000 9 2 no 0.068 0 0
1 238 LYS QD 165 no 80.0 99.7 0.113 0.113 0.000 4 0 no 0.067 0 0
1 238 LYS QG 61 no 100.0 100.0 1.181 1.181 0.000 10 1 no 0.031 0 0
1 239 GLN QE 236 no 40.0 99.7 0.412 0.413 0.001 1 1 no 0.094 0 0
1 239 GLN QG 140 no 45.0 94.1 0.013 0.014 0.001 6 1 no 0.110 0 0
1 241 LEU QB 50 no 25.0 100.0 0.139 0.139 0.000 11 0 no 0.000 0 0
1 241 LEU QD 15 no 90.0 100.0 0.523 0.523 0.000 24 4 no 0.052 0 0
1 243 LEU QD 23 no 55.0 100.0 1.411 1.411 0.000 18 1 no 0.025 0 0
1 244 TYR QB 36 no 45.0 100.0 0.047 0.047 0.000 14 3 no 0.011 0 0
1 246 GLU QB 60 no 100.0 100.0 2.678 2.679 0.001 10 1 no 0.067 0 0
1 246 GLU QG 35 no 100.0 99.9 1.554 1.555 0.001 14 2 no 0.093 0 0
1 247 ARG QG 51 no 90.0 99.5 0.323 0.325 0.002 11 2 no 0.120 0 0
1 248 VAL QG 3 no 95.0 99.8 0.566 0.567 0.001 37 10 no 0.120 0 0
1 249 ARG QG 198 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 250 LYS QG 40 no 95.0 99.7 1.186 1.189 0.003 13 1 no 0.182 0 0
1 252 ARG QG 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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