NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
586455 |
2mjl   |
19731 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mjl
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 244
_Stereo_assign_list.Swap_count 3
_Stereo_assign_list.Swap_percentage 1.2
_Stereo_assign_list.Deassign_count 5
_Stereo_assign_list.Deassign_percentage 2.0
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 5.098
_Stereo_assign_list.Total_e_high_states 27.532
_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 1 MET QB 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 2 VAL QG 9 no 10.0 17.8 0.001 0.007 0.006 18 8 no 0.130 0 0
1 3 SER QB 39 no 100.0 0.0 0.000 0.005 0.005 10 4 no 0.130 0 0
1 6 ILE QG 52 no 10.0 100.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 7 LYS QB 242 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 LYS QD 173 no 10.0 100.0 0.007 0.007 0.000 3 0 no 0.000 0 0
1 7 LYS QG 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 8 LEU QD 10 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 9 LEU QB 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 9 LEU QD 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 10 VAL QG 33 no 100.0 100.0 0.004 0.004 0.000 10 1 no 0.202 0 0
1 11 GLY QA 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.010 0 0
1 12 LEU QB 109 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 12 LEU QD 241 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 PRO QB 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 PRO QG 164 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.054 0 0
1 18 GLU QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 18 GLU QG 240 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 19 TYR QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 19 TYR QD 243 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 19 TYR QE 239 no 60.0 39.6 0.154 0.388 0.235 2 0 yes 1.003 1 3
1 21 LYS QB 238 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 LYS QD 237 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 LYS QE 236 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 LYS QG 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 24 HIS QB 160 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.070 0 0
1 25 ASN QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 27 GLY QA 11 no 20.0 100.0 0.032 0.032 0.000 15 4 no 0.000 0 0
1 29 TRP QB 235 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 VAL QG 1 no 100.0 50.0 0.010 0.021 0.010 28 13 no 0.181 0 0
1 31 VAL QG 25 no 10.0 100.0 0.014 0.014 0.000 11 0 no 0.000 0 0
1 32 GLU QB 38 no 100.0 0.0 0.000 0.009 0.009 10 4 no 0.105 0 0
1 32 GLU QG 108 no 0.0 0.0 0.000 0.001 0.001 6 4 no 0.072 0 0
1 33 GLU QB 61 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 33 GLU QG 102 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.105 0 0
1 34 LEU QB 101 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 34 LEU QD 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 ARG QB 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 36 ARG QG 234 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 ILE QG 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 39 ASN QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 40 VAL QG 24 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 42 LEU QB 99 no 100.0 0.0 0.000 0.010 0.010 6 0 no 0.144 0 0
1 42 LEU QD 6 no 10.0 68.1 0.023 0.033 0.011 22 12 no 0.105 0 0
1 43 LYS QB 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 43 LYS QE 97 no 50.0 98.3 0.187 0.190 0.003 6 0 no 0.107 0 0
1 43 LYS QG 32 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 44 ASN QB 51 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 46 PRO QG 233 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 LYS QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 47 LYS QD 232 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 LYS QE 231 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 LYS QG 230 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 48 PHE QB 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 48 PHE QD 96 no 100.0 100.0 4.172 4.172 0.000 6 0 no 0.000 0 0
1 48 PHE QE 95 no 100.0 99.3 8.424 8.484 0.060 6 0 no 0.333 0 0
1 49 PHE QB 94 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.089 0 0
1 49 PHE QD 154 no 60.0 78.1 0.343 0.439 0.096 4 0 no 0.756 0 1
1 50 GLY QA 60 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 51 LEU QB 93 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.072 0 0
1 51 LEU QD 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 53 GLY QA 40 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.040 0 0
1 54 ARG QB 228 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 ARG QD 59 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.064 0 0
1 54 ARG QG 152 no 20.0 85.9 0.002 0.002 0.000 4 0 no 0.057 0 0
1 55 LEU QB 92 no 100.0 0.0 0.000 0.008 0.008 6 0 no 0.221 0 0
1 55 LEU QD 4 no 100.0 0.0 0.000 0.001 0.001 22 4 no 0.097 0 0
1 56 LEU QB 23 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.064 0 0
1 56 LEU QD 58 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.038 0 0
1 57 ILE QG 227 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 ASN QB 62 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.033 0 0
1 59 SER QB 57 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.038 0 0
1 60 GLN QG 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 61 GLU QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 62 LEU QB 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 LEU QD 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 ARG QB 37 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 63 ARG QD 56 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.050 0 0
1 63 ARG QG 31 no 100.0 0.0 0.000 0.075 0.075 10 0 no 0.336 0 0
1 64 VAL QG 3 no 40.0 45.6 0.001 0.002 0.001 22 4 no 0.061 0 0
1 65 LEU QB 148 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.062 0 0
1 65 LEU QD 15 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 66 ILE QG 147 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.069 0 0
1 70 PHE QB 146 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.090 0 0
1 70 PHE QD 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 PHE QE 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 MET QB 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 ASN QB 91 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 73 LEU QB 50 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.023 0 0
1 73 LEU QD 90 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 74 SER QB 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 75 GLY QA 13 no 0.0 0.0 0.000 0.027 0.027 14 0 no 0.217 0 0
1 76 LYS QB 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 LYS QE 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 LYS QG 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 78 ILE QG 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 81 LEU QB 89 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.094 0 0
1 81 LEU QD 88 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.061 0 0
1 83 ASN QB 87 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 84 PHE QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 84 PHE QD 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 84 PHE QE 139 no 100.0 0.0 0.000 0.022 0.022 4 0 no 0.275 0 0
1 85 TYR QB 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 TYR QD 86 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.013 0 0
1 85 TYR QE 220 no 100.0 0.0 0.000 0.034 0.034 2 0 no 0.412 0 0
1 86 GLN QB 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 GLN QG 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 PRO QB 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 PRO QG 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 GLU QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 90 GLU QG 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 GLU QB 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 GLU QG 18 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.061 0 0
1 93 MET QB 107 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.081 0 0
1 93 MET QG 85 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 94 VAL QG 7 no 70.0 44.6 1.496 3.351 1.855 19 5 yes 2.414 7 9
1 96 HIS QB 213 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.072 0 0
1 97 ASP QB 84 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 98 GLU QB 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 LEU QB 83 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.021 0 0
1 99 LEU QD 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 ASP QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 LEU QD 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 PRO QB 170 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 103 PRO QG 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 105 VAL QG 42 no 90.0 97.8 2.146 2.196 0.049 9 0 no 0.686 0 1
1 108 PHE QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 PHE QD 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 108 PHE QE 207 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.108 0 0
1 109 LYS QB 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.020 0 0
1 109 LYS QD 49 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.029 0 0
1 109 LYS QE 26 no 100.0 99.6 0.600 0.602 0.002 11 4 no 0.111 0 0
1 109 LYS QG 82 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 110 GLN QB 48 no 100.0 0.0 0.000 0.005 0.005 8 0 no 0.115 0 0
1 110 GLN QG 81 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 111 GLY QA 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 112 GLY QA 169 no 90.0 97.5 0.096 0.099 0.002 4 4 no 0.111 0 0
1 114 HIS QB 134 no 100.0 0.0 0.000 0.012 0.012 4 0 no 0.201 0 0
1 115 GLY QA 174 no 100.0 100.0 0.004 0.004 0.000 3 1 no 0.183 0 0
1 117 HIS QB 244 no 100.0 100.0 0.004 0.004 0.000 1 1 no 0.183 0 0
1 118 ASN QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 120 LEU QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 120 LEU QD 14 no 100.0 0.0 0.000 0.004 0.004 14 4 no 0.131 0 0
1 121 LYS QB 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 121 LYS QD 41 no 80.0 94.6 0.272 0.288 0.016 9 0 no 0.223 0 0
1 121 LYS QE 204 no 0.0 0.0 0.000 0.002 0.002 2 0 no 0.066 0 0
1 121 LYS QG 80 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.073 0 0
1 122 ASP QB 22 no 10.0 1.6 0.000 0.004 0.004 12 4 no 0.106 0 0
1 124 ILE QG 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 125 SER QB 21 no 100.0 0.0 0.000 0.004 0.004 12 4 no 0.106 0 0
1 126 LYS QG 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 127 LEU QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 127 LEU QD 79 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 131 LYS QE 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.039 0 0
1 132 GLU QB 47 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.118 0 0
1 132 GLU QG 131 no 50.0 99.5 0.214 0.215 0.001 4 0 no 0.086 0 0
1 133 PHE QB 78 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 133 PHE QD 172 yes 90.0 91.1 0.370 0.406 0.036 3 0 no 0.601 0 1
1 133 PHE QE 171 yes 90.0 86.2 0.694 0.805 0.111 3 0 yes 1.055 1 1
1 134 TYR QB 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 134 TYR QD 77 no 60.0 17.4 0.390 2.241 1.851 6 0 yes 1.929 9 12
1 134 TYR QE 199 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.076 0 0
1 135 ARG QB 20 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 135 ARG QD 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 ARG QG 76 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.063 0 0
1 136 LEU QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 136 LEU QD 12 no 0.0 0.0 0.000 0.001 0.001 14 0 no 0.056 0 0
1 137 ARG QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 137 ARG QD 75 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.160 0 0
1 137 ARG QG 46 no 100.0 0.0 0.000 0.008 0.008 8 0 no 0.191 0 0
1 138 LEU QB 17 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.058 0 0
1 138 LEU QD 8 no 100.0 0.0 0.000 0.003 0.003 18 0 no 0.098 0 0
1 139 GLY QA 74 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.061 0 0
1 140 ILE QG 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 141 GLY QA 195 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.059 0 0
1 145 HIS QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 ASP QB 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 148 LYS QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 148 LYS QD 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 148 LYS QE 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 148 LYS QG 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 149 VAL QG 105 no 30.0 90.3 0.079 0.088 0.008 6 1 no 0.291 0 0
1 151 GLY QA 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 152 TYR QB 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 152 TYR QD 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 152 TYR QE 123 no 100.0 0.0 0.000 0.024 0.024 4 0 no 0.224 0 0
1 153 VAL QG 53 no 60.0 88.0 0.539 0.612 0.074 8 1 no 0.482 0 0
1 154 LEU QB 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 154 LEU QD 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 155 GLY QA 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 156 LYS QB 73 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 156 LYS QD 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 156 LYS QE 45 no 0.0 0.0 0.000 0.001 0.001 8 0 no 0.057 0 0
1 156 LYS QG 44 no 50.0 100.0 0.127 0.127 0.000 8 0 no 0.002 0 0
1 158 PRO QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 158 PRO QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 160 LYS QD 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 160 LYS QE 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 161 GLU QB 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 161 GLU QG 72 no 90.0 99.9 1.156 1.157 0.001 6 0 no 0.058 0 0
1 162 GLN QB 30 no 100.0 0.0 0.000 0.005 0.005 10 0 no 0.115 0 0
1 162 GLN QG 71 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.029 0 0
1 163 GLU QB 70 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 163 GLU QG 69 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 164 CYS QB 36 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 165 LEU QB 68 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 165 LEU QD 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 169 VAL QG 5 no 90.0 50.0 0.007 0.014 0.007 22 6 no 0.184 0 0
1 170 ASP QB 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 172 SER QB 67 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 173 VAL QG 2 yes 80.0 60.8 0.546 0.899 0.353 26 1 yes 1.378 1 4
1 174 ARG QB 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 174 ARG QD 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 174 ARG QG 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 175 CYS QB 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 176 LEU QB 106 no 10.0 93.1 0.009 0.010 0.001 6 4 no 0.058 0 0
1 176 LEU QD 55 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.081 0 0
1 177 GLU QB 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 177 GLU QG 19 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.004 0 0
1 179 LEU QB 66 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 179 LEU QD 35 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.058 0 0
1 180 MET QB 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 180 MET QG 29 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.002 0 0
1 181 LYS QD 65 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 181 LYS QE 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 181 LYS QG 54 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.033 0 0
1 182 ASP QB 64 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.109 0 0
1 183 GLY QA 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 184 LEU QB 34 no 0.0 0.0 0.000 0.001 0.001 10 4 no 0.070 0 0
1 184 LEU QD 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 186 LYS QD 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 186 LYS QE 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 186 LYS QG 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 188 GLN QB 28 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.095 0 0
1 188 GLN QG 16 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.080 0 0
1 189 ASN QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 191 LEU QB 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 192 HIS QB 63 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.076 0 0
1 194 PHE QB 27 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.074 0 0
1 194 PHE QD 110 no 20.0 99.5 0.158 0.159 0.001 4 0 no 0.088 0 0
1 194 PHE QE 177 no 10.0 100.0 0.152 0.152 0.000 2 0 no 0.000 0 0
1 195 LYS QD 43 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.078 0 0
1 195 LYS QE 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 195 LYS QG 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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