NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
629079 |
5xyl   |
cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_5xyl
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 205
_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 10
_Stereo_assign_list.Total_e_low_states 0.203
_Stereo_assign_list.Total_e_high_states 5.997
_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 2 PRO QD 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 2 PRO QG 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 3 SER QB 36 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.069 0 0
1 4 ILE QG 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 LYS QB 78 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 5 LYS QD 10 no 100.0 0.0 0.000 0.000 0.000 16 12 no 0.000 0 0
1 5 LYS QE 9 no 100.0 0.0 0.000 0.000 0.000 16 12 no 0.000 0 0
1 5 LYS QG 22 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 6 LEU QD 95 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 7 GLN QB 7 no 40.0 99.2 0.042 0.042 0.000 16 4 no 0.030 0 0
1 7 GLN QG 12 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.042 0 0
1 8 SER QB 15 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 9 SER QB 116 no 100.0 99.8 0.626 0.627 0.001 7 3 no 0.066 0 0
1 10 ASP QB 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 11 GLY QA 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 12 GLU QB 94 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 12 GLU QG 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 PHE QB 112 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 14 PHE QD 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 PHE QE 73 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.050 0 0
1 15 GLU QB 140 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.010 0 0
1 16 VAL QG 24 no 100.0 0.0 0.000 0.008 0.008 12 0 no 0.168 0 0
1 17 ASP QB 49 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.043 0 0
1 18 VAL QG 2 no 100.0 100.0 0.222 0.223 0.000 21 4 no 0.019 0 0
1 19 GLU QB 35 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 19 GLU QG 72 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 20 ILE QG 11 no 100.0 99.7 2.262 2.268 0.006 15 0 no 0.091 0 0
1 22 LYS QB 77 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 22 LYS QD 21 no 100.0 0.0 0.000 0.005 0.005 14 8 no 0.117 0 0
1 22 LYS QE 20 no 100.0 0.0 0.000 0.011 0.011 14 8 no 0.140 0 0
1 22 LYS QG 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 23 GLN QB 111 no 100.0 99.5 1.193 1.198 0.006 8 4 no 0.205 0 0
1 23 GLN QG 71 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 24 SER QB 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 25 VAL QG 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 30 MET QB 70 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 30 MET QG 3 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.000 0 0
1 31 LEU QB 110 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 31 LEU QD 4 no 100.0 0.0 0.000 0.003 0.003 18 4 no 0.110 0 0
1 32 GLU QG 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 33 ASP QB 93 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 34 LEU QB 69 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 34 LEU QD 34 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 35 GLY QA 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 36 MET QB 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 MET QG 92 no 100.0 0.0 0.000 0.005 0.005 8 0 no 0.146 0 0
1 37 ASP QB 137 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.107 0 0
1 38 ASP QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 GLU QB 48 no 100.0 0.0 0.000 0.008 0.008 10 0 no 0.183 0 0
1 39 GLU QG 91 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 41 ASP QB 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 42 ASP QB 47 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 43 ASP QB 205 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 44 PRO QG 150 no 0.0 0.0 0.000 0.001 0.001 6 4 no 0.047 0 0
1 45 VAL QG 6 no 100.0 0.0 0.000 0.000 0.000 18 12 no 0.017 0 0
1 46 PRO QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 LEU QD 80 no 100.0 99.7 0.625 0.627 0.002 9 3 no 0.080 0 0
1 48 PRO QG 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 ASN QB 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 50 VAL QG 1 no 100.0 0.0 0.000 0.022 0.022 24 4 no 0.173 0 0
1 51 ASN QB 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 54 ILE QG 90 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 55 LEU QD 89 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 56 LYS QB 46 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 56 LYS QG 45 no 100.0 0.0 0.000 0.005 0.005 10 0 no 0.107 0 0
1 57 LYS QB 88 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 57 LYS QG 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 58 VAL QG 23 no 60.0 100.0 0.102 0.102 0.000 13 0 no 0.000 0 0
1 59 ILE QG 176 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.076 0 0
1 60 GLN QB 33 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.079 0 0
1 60 GLN QG 68 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 61 TRP QB 79 no 100.0 100.0 0.006 0.006 0.000 9 0 no 0.157 0 0
1 62 CYS QB 44 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 64 HIS QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 HIS QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.041 0 0
1 66 LYS QB 40 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 66 LYS QD 32 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.086 0 0
1 66 LYS QE 5 no 50.0 99.7 0.362 0.364 0.001 18 12 no 0.081 0 0
1 66 LYS QG 31 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 67 ASP QB 109 no 40.0 99.8 0.354 0.355 0.001 8 4 no 0.054 0 0
1 68 ASP QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 PRO QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 PRO QG 136 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.193 0 0
1 73 GLU QB 108 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 73 GLU QG 30 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.006 0 0
1 74 ASP QB 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 75 ASP QB 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 76 GLU QB 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 76 GLU QG 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 77 ASN QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 77 ASN QD 132 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 78 LYS QB 76 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 78 LYS QD 19 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 78 LYS QE 107 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 78 LYS QG 67 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 79 GLU QB 66 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 79 GLU QG 65 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 80 LYS QB 39 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 80 LYS QD 18 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 80 LYS QG 17 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 81 ARG QB 115 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 81 ARG QD 106 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 81 ARG QG 105 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 83 ASP QB 131 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 84 ASP QB 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 VAL QG 43 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.005 0 0
1 88 TRP QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 89 ASP QB 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 90 GLN QB 29 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 90 GLN QG 14 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.013 0 0
1 91 GLU QB 64 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 91 GLU QG 28 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 92 PHE QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 PHE QE 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 LEU QB 87 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 93 LEU QD 86 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 94 LYS QB 104 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 94 LYS QE 114 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 94 LYS QG 27 no 100.0 0.0 0.000 0.011 0.011 12 4 no 0.144 0 0
1 95 VAL QG 42 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 96 ASP QB 130 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 97 GLN QB 26 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.049 0 0
1 97 GLN QG 149 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 98 GLY QA 85 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 100 LEU QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 100 LEU QD 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 102 GLU QB 63 no 100.0 0.0 0.000 0.026 0.026 10 4 no 0.262 0 0
1 102 GLU QG 25 no 100.0 0.0 0.000 0.003 0.003 12 4 no 0.140 0 0
1 103 LEU QD 128 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.039 0 0
1 104 ILE QG 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 108 ASN QB 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 109 TYR QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 110 LEU QB 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.027 0 0
1 110 LEU QD 41 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 111 ASP QB 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 ILE QG 125 no 100.0 0.0 0.000 0.017 0.017 6 0 no 0.204 0 0
1 113 LYS QB 13 no 100.0 0.0 0.000 0.001 0.001 14 4 no 0.077 0 0
1 113 LYS QD 62 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 113 LYS QG 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 114 GLY QA 123 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 115 LEU QD 84 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.019 0 0
1 117 ASP QB 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 VAL QG 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 121 LYS QB 113 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 121 LYS QD 148 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 121 LYS QE 147 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 123 VAL QG 166 no 0.0 0.0 0.000 0.007 0.007 4 0 no 0.125 0 0
1 125 ASN QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 126 MET QB 122 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 126 MET QG 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 127 ILE QG 83 no 0.0 0.0 0.000 0.002 0.002 8 0 no 0.116 0 0
1 128 LYS QB 61 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 128 LYS QE 103 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.091 0 0
1 128 LYS QG 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 130 LYS QB 38 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 130 LYS QD 60 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.004 0 0
1 130 LYS QE 102 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 130 LYS QG 120 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 136 ARG QB 75 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 136 ARG QD 59 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 136 ARG QG 146 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 137 LYS QB 82 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 137 LYS QG 81 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 139 PHE QB 145 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 139 PHE QD 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 139 PHE QE 58 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 140 ASN QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 141 ILE QG 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 142 LYS QB 16 no 100.0 0.0 0.000 0.002 0.002 14 8 no 0.122 0 0
1 142 LYS QD 57 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.081 0 0
1 142 LYS QE 101 no 100.0 0.0 0.000 0.019 0.019 8 4 no 0.377 0 0
1 142 LYS QG 119 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 143 ASN QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 144 ASP QB 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 145 PHE QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 145 PHE QD 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 145 PHE QE 118 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.059 0 0
1 147 GLU QB 100 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 147 GLU QG 56 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 150 GLU QB 99 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 150 GLU QG 55 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 152 GLN QB 54 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 152 GLN QG 53 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 153 VAL QG 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 154 ARG QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.006 0 0
1 154 ARG QD 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 154 ARG QG 117 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 155 LYS QB 74 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 155 LYS QD 8 no 100.0 0.0 0.000 0.005 0.005 16 12 no 0.153 0 0
1 155 LYS QE 37 no 100.0 0.0 0.000 0.003 0.003 12 8 no 0.135 0 0
1 155 LYS QG 52 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 156 GLU QB 98 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 156 GLU QG 97 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 157 ASN QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 157 ASN QD 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 158 GLN QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 158 GLN QG 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 159 TRP QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 161 GLU QB 144 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 161 GLU QG 51 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 162 GLU QB 143 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 162 GLU QG 50 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 163 LYS QB 142 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 163 LYS QE 96 no 100.0 0.0 0.000 0.005 0.005 8 4 no 0.220 0 0
1 163 LYS QG 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
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save_
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