NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
531042 |
2l9c   |
16840 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2l9c
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 212
_Stereo_assign_list.Swap_count 1
_Stereo_assign_list.Swap_percentage 0.5
_Stereo_assign_list.Deassign_count 14
_Stereo_assign_list.Deassign_percentage 6.6
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 3466.501
_Stereo_assign_list.Total_e_high_states 3883.947
_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 10 HIS QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 ILE QG 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 12 GLU QG 79 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 13 GLY QA 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 ARG QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 ARG QD 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 GLU QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 GLU QG 205 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.085 0 0
1 20 MET QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 MET QG 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 22 ARG QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 ARG QD 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 ASN QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 PHE QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 ASN QB 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 26 VAL QG 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 27 GLU QB 199 no 100.0 100.0 0.416 0.416 0.000 2 0 no 0.000 0 0
1 27 GLU QG 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.045 0 0
1 28 LYS QB 81 no 100.0 100.0 0.433 0.433 0.000 6 1 no 0.000 0 0
1 28 LYS QD 78 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.053 0 0
1 28 LYS QE 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.045 0 0
1 29 ILE QG 77 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 30 ASN QB 25 no 100.0 100.0 3.909 3.909 0.000 12 2 no 0.018 0 0
1 30 ASN QD 212 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 31 GLY QA 146 no 100.0 100.0 1.172 1.172 0.000 3 0 no 0.000 0 0
1 32 GLU QB 128 no 95.0 13.0 41.824 321.529 279.705 4 0 yes 11.569 80 80
1 32 GLU QG 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 33 TRP QB 62 no 100.0 4.3 10.902 253.402 242.500 8 3 yes 12.810 80 80
1 34 TYR QB 47 no 100.0 0.4 1.333 355.107 353.774 9 0 yes 13.858 40 40
1 36 ILE QG 21 no 100.0 100.0 1.237 1.237 0.000 12 1 no 0.015 0 0
1 37 MET QB 64 no 100.0 100.0 0.730 0.730 0.000 7 0 no 0.000 0 0
1 37 MET QG 15 no 100.0 99.7 1.502 1.507 0.005 13 0 no 0.189 0 0
1 38 LEU QB 126 no 100.0 100.0 1.337 1.337 0.000 4 0 no 0.002 0 0
1 38 LEU QD 61 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.015 0 0
1 41 ASP QB 139 no 15.0 0.0 0.000 55.093 55.093 4 2 yes 4.338 80 80
1 42 LYS QB 30 no 100.0 100.0 0.637 0.637 0.000 11 6 no 0.010 0 0
1 42 LYS QD 68 no 100.0 100.0 1.248 1.248 0.000 7 2 no 0.002 0 0
1 42 LYS QG 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 ARG QB 40 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.007 0 0
1 43 ARG QG 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 GLU QB 145 no 100.0 100.0 0.597 0.597 0.000 3 0 no 0.000 0 0
1 44 GLU QG 60 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 45 LYS QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 45 LYS QD 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.070 0 0
1 45 LYS QE 196 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.139 0 0
1 45 LYS QG 28 no 100.0 100.0 0.702 0.702 0.000 11 2 no 0.011 0 0
1 46 ILE QG 76 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
1 47 GLU QB 55 no 100.0 100.0 2.329 2.329 0.000 8 0 no 0.006 0 0
1 47 GLU QG 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.006 0 0
1 48 GLU QB 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 48 GLU QG 54 no 100.0 99.9 2.116 2.118 0.001 8 0 no 0.112 0 0
1 50 GLY QA 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 52 MET QB 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.011 0 0
1 52 MET QG 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 53 ARG QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 VAL QG 1 no 100.0 100.0 15.468 15.468 0.000 32 6 no 0.015 0 0
1 56 VAL QG 3 no 100.0 100.0 11.476 11.477 0.001 27 1 no 0.057 0 0
1 57 GLU QB 82 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.005 0 0
1 57 GLU QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 TYR QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.019 0 0
1 59 ILE QG 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 60 HIS QB 46 no 100.0 100.0 0.913 0.913 0.000 9 0 no 0.000 0 0
1 61 VAL QG 2 no 100.0 21.7 113.970 525.672 411.702 28 7 yes 8.963 220 220
1 62 LEU QB 27 no 100.0 99.9 1.060 1.061 0.001 11 2 no 0.072 0 0
1 62 LEU QD 59 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.052 0 0
1 63 GLU QB 118 no 100.0 0.0 0.000 0.099 0.099 4 0 no 0.416 0 0
1 63 GLU QG 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.035 0 0
1 64 ASN QB 89 no 0.0 0.0 0.000 0.000 0.000 6 4 no 0.021 0 0
1 65 SER QB 75 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.051 0 0
1 66 LEU QB 53 no 100.0 100.0 2.458 2.458 0.001 8 0 no 0.049 0 0
1 66 LEU QD 52 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.063 0 0
1 68 LEU QB 24 no 100.0 100.0 3.686 3.686 0.000 12 2 no 0.019 0 0
1 68 LEU QD 58 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.019 0 0
1 69 LYS QB 16 no 100.0 100.0 6.826 6.827 0.000 13 2 no 0.033 0 0
1 69 LYS QD 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 69 LYS QE 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 69 LYS QG 34 no 100.0 100.0 3.126 3.126 0.000 10 0 no 0.052 0 0
1 70 PHE QB 7 no 100.0 100.0 2.693 2.693 0.000 17 6 no 0.018 0 0
1 71 HIS QB 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.047 0 0
1 72 ILE QG 80 no 100.0 100.0 2.521 2.521 0.000 6 1 no 0.000 0 0
1 74 ILE QG 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 75 ASN QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 ASN QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 GLU QB 188 no 100.0 100.0 0.593 0.593 0.000 2 0 no 0.000 0 0
1 76 GLU QG 51 no 100.0 100.0 1.311 1.311 0.000 8 0 no 0.003 0 0
1 77 GLU QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 77 GLU QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 78 CYS QB 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.019 0 0
1 79 SER QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 GLU QB 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 81 ILE QG 37 no 100.0 100.0 1.375 1.375 0.000 10 3 no 0.009 0 0
1 82 PHE QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 LEU QB 88 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 83 LEU QD 8 no 0.0 0.0 0.000 0.000 0.000 16 4 no 0.016 0 0
1 84 VAL QG 33 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.061 0 0
1 86 ASP QB 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 87 LYS QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 LYS QD 87 no 0.0 0.0 0.000 0.000 0.000 6 4 no 0.021 0 0
1 87 LYS QE 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 LYS QG 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.010 0 0
1 89 GLU QB 144 no 100.0 100.0 0.845 0.845 0.000 3 0 no 0.005 0 0
1 89 GLU QG 86 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.144 0 0
1 90 LYS QD 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 LYS QE 143 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.002 0 0
1 90 LYS QG 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 GLU QB 74 no 100.0 100.0 4.307 4.307 0.000 6 0 no 0.006 0 0
1 94 TYR QB 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 SER QB 73 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 96 VAL QG 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 98 TYR QB 29 no 100.0 100.0 2.896 2.897 0.001 11 5 no 0.131 0 0
1 99 ASP QB 138 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.131 0 0
1 101 SER QB 137 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.003 0 0
1 102 ASN QB 26 no 100.0 100.0 0.525 0.525 0.000 11 0 no 0.015 0 0
1 102 ASN QD 14 no 100.0 100.0 0.969 0.969 0.000 14 3 no 0.010 0 0
1 104 PHE QB 12 no 100.0 100.0 1.334 1.334 0.000 14 1 no 0.026 0 0
1 106 ILE QG 19 no 100.0 1.5 1.397 94.115 92.718 12 0 yes 8.001 40 40
1 107 LEU QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 107 LEU QD 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 108 LYS QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 LYS QD 175 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.013 0 0
1 108 LYS QE 142 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.010 0 0
1 108 LYS QG 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 111 TYR QB 136 no 100.0 100.0 0.372 0.372 0.000 4 1 no 0.006 0 0
1 113 ASN QB 65 no 100.0 100.0 2.431 2.431 0.000 7 1 no 0.013 0 0
1 113 ASN QD 48 no 100.0 100.0 2.617 2.617 0.000 9 4 no 0.005 0 0
1 114 TYR QB 45 no 100.0 0.4 1.483 410.742 409.259 9 0 yes 15.343 40 40
1 115 ILE QG 91 no 15.0 100.0 0.001 0.001 0.000 5 0 no 0.000 0 0
1 116 MET QB 32 no 100.0 100.0 2.608 2.608 0.000 10 0 no 0.035 0 0
1 116 MET QG 173 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.122 0 0
1 117 ILE QG 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 118 HIS QB 9 no 100.0 100.0 2.383 2.383 0.000 15 1 no 0.013 0 0
1 119 LEU QB 56 no 100.0 100.0 2.354 2.354 0.000 8 1 no 0.007 0 0
1 119 LEU QD 18 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.011 0 0
1 120 ILE QG 44 yes 80.0 9.5 69.252 728.189 658.936 9 0 yes 15.636 100 100
1 121 ASN QB 72 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.024 0 0
1 121 ASN QD 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 122 LYS QB 39 no 100.0 100.0 4.394 4.394 0.000 10 4 no 0.003 0 0
1 122 LYS QE 211 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 122 LYS QG 11 no 100.0 100.0 2.027 2.027 0.000 14 1 no 0.008 0 0
1 123 LYS QB 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 123 LYS QD 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 123 LYS QG 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 124 ASP QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 125 GLY QA 210 no 100.0 100.0 2.130 2.130 0.000 2 1 no 0.000 0 0
1 126 GLU QB 168 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.057 0 0
1 128 PHE QB 85 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.018 0 0
1 129 GLN QB 84 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 129 GLN QE 42 no 80.0 0.0 0.000 152.137 152.137 10 8 yes 5.295 120 120
1 129 GLN QG 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 130 LEU QB 43 no 100.0 100.0 1.125 1.125 0.000 9 0 no 0.048 0 0
1 130 LEU QD 17 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.038 0 0
1 131 MET QB 50 no 100.0 0.0 0.000 294.984 294.984 8 0 yes 13.288 40 40
1 131 MET QG 20 no 100.0 13.3 29.499 222.229 192.730 12 1 yes 14.047 40 40
1 132 GLU QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 132 GLU QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 133 LEU QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 133 LEU QD 23 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.040 0 0
1 134 TYR QB 35 no 100.0 100.0 2.671 2.671 0.000 10 1 no 0.020 0 0
1 135 GLY QA 10 no 100.0 100.0 1.095 1.095 0.000 15 5 no 0.015 0 0
1 136 ARG QD 105 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 137 GLU QB 67 no 100.0 100.0 0.070 0.070 0.000 7 2 no 0.002 0 0
1 137 GLU QG 141 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.002 0 0
1 138 PRO QB 164 no 100.0 100.0 1.642 1.642 0.000 2 0 no 0.000 0 0
1 138 PRO QD 41 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.002 0 0
1 138 PRO QG 104 no 100.0 100.0 1.383 1.383 0.000 4 0 no 0.016 0 0
1 140 LEU QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 140 LEU QD 5 no 0.0 0.0 0.000 0.000 0.000 22 6 no 0.026 0 0
1 141 SER QB 22 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 142 SER QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 143 ASP QB 103 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 144 ILE QG 13 no 100.0 100.0 1.843 1.843 0.000 14 3 no 0.000 0 0
1 145 LYS QB 90 no 100.0 100.0 1.308 1.308 0.000 5 0 no 0.018 0 0
1 145 LYS QG 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 146 GLU QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 146 GLU QG 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 LYS QD 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 LYS QG 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.028 0 0
1 148 PHE QB 6 no 100.0 99.9 2.422 2.425 0.003 17 2 no 0.081 0 0
1 150 GLN QB 57 no 100.0 100.0 1.644 1.644 0.000 8 2 no 0.011 0 0
1 150 GLN QE 140 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 150 GLN QG 63 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.013 0 0
1 151 LEU QB 66 no 100.0 100.0 1.957 1.957 0.000 7 2 no 0.016 0 0
1 151 LEU QD 83 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.054 0 0
1 152 SER QB 36 no 0.0 0.0 0.000 6.020 6.020 10 2 yes 2.617 40 40
1 153 GLU QB 101 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 153 GLU QG 49 no 100.0 29.9 4.941 16.551 11.611 8 0 yes 3.985 20 20
1 154 GLU QB 71 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.039 0 0
1 154 GLU QG 100 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.231 0 0
1 155 HIS QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 157 ILE QG 99 no 100.0 100.0 0.248 0.248 0.000 4 0 no 0.000 0 0
1 159 ARG QB 98 no 100.0 100.0 1.642 1.642 0.000 4 0 no 0.000 0 0
1 159 ARG QD 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 159 ARG QG 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.045 0 0
1 160 GLU QG 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 161 ASN QB 70 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.014 0 0
1 161 ASN QD 38 no 0.0 0.0 0.000 0.000 0.000 10 4 no 0.007 0 0
1 162 ILE QG 4 no 95.0 6.1 19.729 324.932 305.203 24 8 yes 6.891 300 300
1 163 ILE QG 97 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.013 0 0
1 164 ASP QB 69 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
1 165 LEU QD 31 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.084 0 0
1 167 ASN QB 96 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 167 ASN QD 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.033 0 0
1 169 ASN QB 152 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.065 0 0
1 169 ASN QD 95 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 170 ARG QD 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 172 LEU QB 94 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 172 LEU QD 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 175 ARG QB 92 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.034 0 0
1 175 ARG QD 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 175 ARG QG 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.020 0 0
1 176 GLU QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 176 GLU QG 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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