NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
611804 |
2naf   |
cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2naf
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 4
_Stereo_assign_list.Deassign_percentage 1.9
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 3.646
_Stereo_assign_list.Total_e_high_states 39.002
_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 QG 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 3 GLU QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 3 GLU QG 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 PRO QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.029 0 0
1 5 LEU QB 65 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.114 0 0
1 5 LEU QD 27 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.032 0 0
1 6 LEU QD 47 no 70.0 91.9 0.025 0.027 0.002 7 0 no 0.098 0 0
1 7 VAL QG 30 no 100.0 0.0 0.000 0.000 0.000 9 1 no 0.000 0 0
1 8 VAL QG 17 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 9 GLY QA 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 10 LEU QB 142 no 40.0 100.0 0.287 0.287 0.000 3 0 no 0.000 0 0
1 10 LEU QD 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 GLY QA 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 TYR QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 TYR QE 200 no 70.0 99.9 0.296 0.297 0.000 2 0 no 0.044 0 0
1 19 LYS QB 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 19 LYS QD 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 19 LYS QE 64 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.023 0 0
1 19 LYS QG 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 ARG QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 ARG QD 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 ARG QG 141 no 20.0 100.0 0.003 0.003 0.000 3 0 no 0.000 0 0
1 22 HIS QB 140 no 40.0 100.0 0.092 0.092 0.000 3 0 no 0.000 0 0
1 23 ASN QB 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 24 LEU QB 63 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 24 LEU QD 139 no 100.0 100.0 0.300 0.300 0.000 3 0 no 0.000 0 0
1 25 GLY QA 124 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.051 0 0
1 26 PHE QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 MET QB 18 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.050 0 0
1 27 MET QG 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 28 VAL QG 4 yes 100.0 100.0 1.243 1.244 0.000 25 1 no 0.069 0 0
1 30 ASP QB 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 VAL QG 8 no 100.0 0.0 0.000 0.000 0.000 18 1 no 0.000 0 0
1 32 LEU QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 LEU QD 40 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 34 GLY QA 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 ARG QB 62 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 35 ARG QD 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 ARG QG 61 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 36 ILE QG 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 SER QB 70 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 40 PHE QB 24 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.027 0 0
1 41 LYS QB 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 41 LYS QD 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 41 LYS QE 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.024 0 0
1 41 LYS QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 VAL QG 9 no 100.0 0.0 0.000 0.000 0.000 17 8 no 0.042 0 0
1 43 HIS QB 45 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.055 0 0
1 46 SER QB 69 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.055 0 0
1 47 GLY QA 68 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.042 0 0
1 49 GLU QB 46 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 49 GLU QG 44 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 50 VAL QG 3 no 100.0 99.9 2.665 2.666 0.002 26 5 no 0.113 0 0
1 51 VAL QG 1 no 50.0 27.2 0.326 1.196 0.870 48 12 yes 1.087 3 11
1 53 GLY QA 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 54 ARG QB 39 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.026 0 0
1 54 ARG QD 23 no 10.0 5.5 0.000 0.005 0.004 10 0 no 0.175 0 0
1 54 ARG QG 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 55 LEU QB 60 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.121 0 0
1 55 LEU QD 38 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 57 GLY QA 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 60 VAL QG 41 no 100.0 99.5 0.084 0.084 0.000 8 1 no 0.624 0 2
1 61 VAL QG 13 no 10.0 100.0 0.022 0.022 0.000 14 1 no 0.000 0 0
1 62 LEU QB 31 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 62 LEU QD 22 no 100.0 100.0 1.163 1.163 0.000 10 0 no 0.000 0 0
1 64 LYS QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 LYS QD 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 LYS QE 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 LYS QG 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 ARG QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 ARG QD 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 ARG QG 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 67 CYS QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 TYR QB 59 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 69 MET QB 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 69 MET QG 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 GLU QB 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 GLU QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 SER QB 19 no 60.0 92.6 0.097 0.105 0.008 11 4 no 0.123 0 0
1 73 GLY QA 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 ARG QB 138 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 74 ARG QD 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 ARG QG 37 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 75 GLN QB 43 no 100.0 0.0 0.000 0.007 0.007 8 4 no 0.123 0 0
1 75 GLN QG 137 no 10.0 100.0 0.173 0.173 0.000 3 0 no 0.000 0 0
1 77 GLY QA 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 78 PRO QB 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 78 PRO QG 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 LEU QB 58 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 79 LEU QD 11 no 10.0 92.1 0.013 0.014 0.001 15 4 no 0.093 0 0
1 81 LYS QB 57 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 81 LYS QD 74 no 90.0 100.0 1.296 1.296 0.000 5 0 no 0.047 0 0
1 81 LYS QE 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.035 0 0
1 81 LYS QG 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 PHE QB 56 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.062 0 0
1 82 PHE QD 212 no 100.0 100.0 3.925 3.925 0.000 1 0 no 0.000 0 0
1 82 PHE QE 211 no 100.0 100.0 2.377 2.377 0.000 1 0 no 0.000 0 0
1 83 TYR QB 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 83 TYR QD 75 no 100.0 100.0 3.853 3.854 0.000 5 4 no 0.050 0 0
1 83 TYR QE 132 no 90.0 100.0 2.623 2.623 0.000 4 4 no 0.026 0 0
1 84 SER QB 55 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 85 VAL QG 67 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.050 0 0
1 90 ILE QG 54 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 91 VAL QG 15 no 80.0 3.2 0.072 2.260 2.187 13 1 yes 1.923 8 10
1 92 VAL QG 10 no 100.0 0.0 0.000 0.000 0.000 16 5 no 0.000 0 0
1 93 ILE QG 73 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.016 0 0
1 94 HIS QB 72 no 30.0 95.9 0.018 0.018 0.001 5 0 no 0.051 0 0
1 95 ASP QB 136 no 100.0 99.9 0.221 0.221 0.000 3 0 no 0.048 0 0
1 96 GLU QG 53 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 97 LEU QD 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 98 ASP QB 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 99 ILE QG 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 100 ASP QB 52 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 101 PHE QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 PHE QD 177 no 100.0 100.0 2.248 2.249 0.001 2 0 no 0.055 0 0
1 101 PHE QE 210 no 30.0 100.0 0.043 0.043 0.000 1 0 no 0.000 0 0
1 102 GLY QA 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 ARG QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 ARG QD 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 ARG QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 ILE QG 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 105 ARG QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 LEU QD 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 LEU QD 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 109 GLY QA 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 113 GLY QA 167 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.074 0 0
1 115 HIS QB 105 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.112 0 0
1 117 GLY QA 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 118 LEU QB 71 no 100.0 0.0 0.000 0.001 0.001 5 0 no 0.084 0 0
1 118 LEU QD 66 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.004 0 0
1 119 ARG QB 135 no 90.0 100.0 0.882 0.882 0.000 3 0 no 0.041 0 0
1 119 ARG QD 104 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.061 0 0
1 119 ARG QG 103 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 120 SER QB 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.032 0 0
1 121 VAL QG 6 no 100.0 92.7 2.211 2.386 0.174 21 1 no 0.791 0 3
1 123 SER QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 125 LEU QB 51 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 125 LEU QD 36 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 128 LYS QB 134 no 10.0 65.3 0.001 0.002 0.001 3 0 no 0.078 0 0
1 128 LYS QD 101 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 128 LYS QE 100 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 128 LYS QG 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 129 ASN QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 132 ARG QB 28 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 132 ARG QD 99 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 132 ARG QG 26 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.004 0 0
1 133 VAL QG 7 no 60.0 92.1 1.291 1.402 0.111 19 3 yes 2.665 3 3
1 134 ARG QB 35 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.099 0 0
1 134 ARG QD 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 134 ARG QG 98 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 135 ILE QG 97 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 136 GLY QA 96 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 137 VAL QG 14 no 100.0 0.0 0.000 0.000 0.000 13 0 no 0.000 0 0
1 138 GLY QA 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 ARG QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 ARG QD 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 ARG QG 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 141 PRO QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.049 0 0
1 144 LYS QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 LYS QD 95 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 144 LYS QE 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 LYS QG 50 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 145 ASP QB 34 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 149 PHE QB 94 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 149 PHE QD 209 no 100.0 100.0 0.058 0.058 0.000 1 0 no 0.000 0 0
1 150 VAL QG 5 no 20.0 42.6 0.101 0.236 0.136 21 0 yes 1.053 1 1
1 151 LEU QB 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 151 LEU QD 92 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 152 GLU QB 91 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 152 GLU QG 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 153 ASN QB 90 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 154 PHE QB 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 154 PHE QD 207 no 100.0 100.0 1.688 1.688 0.000 2 2 no 0.000 0 0
1 154 PHE QE 206 no 100.0 100.0 5.380 5.380 0.000 2 2 no 0.018 0 0
1 158 GLU QB 208 no 40.0 98.5 0.093 0.094 0.001 1 0 no 0.119 0 0
1 158 GLU QG 89 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 159 ARG QB 29 no 60.0 100.0 0.068 0.068 0.000 9 0 no 0.000 0 0
1 159 ARG QD 88 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 159 ARG QG 25 no 100.0 0.0 0.000 0.044 0.044 10 4 no 0.630 0 1
1 161 GLU QB 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 161 GLU QG 86 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 162 VAL QG 85 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 163 PRO QB 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 163 PRO QD 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 163 PRO QG 133 no 90.0 96.3 0.004 0.004 0.000 3 0 no 0.024 0 0
1 165 ILE QG 49 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 166 VAL QG 16 no 100.0 100.0 0.019 0.019 0.000 13 6 no 0.405 0 0
1 167 GLU QB 84 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 167 GLU QG 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 168 GLN QB 21 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 168 GLN QG 83 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 171 ASP QB 48 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 174 GLU QB 82 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 174 GLU QG 81 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 175 LEU QB 80 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 175 LEU QD 20 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 176 LEU QB 33 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.051 0 0
1 176 LEU QD 12 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.019 0 0
1 177 ILE QG 42 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.096 0 0
1 179 GLN QB 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 179 GLN QG 79 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 182 GLU QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 182 GLU QG 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 183 PRO QB 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 183 PRO QD 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 183 PRO QG 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 185 GLN QB 32 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 185 GLN QG 78 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 186 ASN QB 77 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 188 VAL QG 2 no 90.0 55.8 0.094 0.168 0.074 32 0 no 0.818 0 2
1 189 HIS QB 76 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 191 TRP QB 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
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