NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621037 |
6amw   |
30332 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6amw
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 215
_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 0.353
_Stereo_assign_list.Total_e_high_states 420.632
_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 GLY QA 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 GLN QG 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 PRO QD 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 GLY QA 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 LYS QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 LYS QG 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 VAL QG 117 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 9 LEU QD 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 GLY QA 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 ARG QD 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 ARG QG 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 14 ARG QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 ARG QD 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 PRO QB 143 no 100.0 100.0 0.237 0.237 0.000 4 1 no 0.000 0 0
1 15 PRO QD 67 no 30.0 99.5 0.059 0.059 0.000 11 1 no 0.076 0 0
1 15 PRO QG 108 no 100.0 98.0 0.371 0.378 0.007 7 2 no 0.261 0 0
1 17 LEU QB 56 no 100.0 99.8 0.678 0.679 0.001 13 8 no 0.129 0 0
1 17 LEU QD 19 no 100.0 100.0 2.720 2.721 0.001 30 13 no 0.099 0 0
1 18 PRO QB 116 no 85.0 100.0 0.159 0.159 0.000 6 0 no 0.000 0 0
1 18 PRO QD 44 no 100.0 100.0 0.072 0.072 0.000 16 10 no 0.000 0 0
1 18 PRO QG 70 no 100.0 99.8 1.686 1.689 0.003 11 3 no 0.129 0 0
1 20 LEU QB 83 no 100.0 99.7 0.318 0.319 0.001 10 4 no 0.095 0 0
1 20 LEU QD 48 no 100.0 0.0 0.000 0.004 0.004 15 4 no 0.159 0 0
1 21 HIS QB 104 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 22 PHE QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 ILE QG 93 no 100.0 100.0 0.261 0.261 0.000 8 0 no 0.000 0 0
1 24 LYS QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 LYS QD 115 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.020 0 0
1 24 LYS QE 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 LYS QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 28 LYS QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 28 LYS QD 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 28 LYS QG 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 29 ARG QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 SER QB 213 no 100.0 0.0 0.000 0.003 0.003 2 2 no 0.207 0 0
1 83 ASN QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 LEU QB 80 no 100.0 99.9 4.433 4.436 0.003 10 3 no 0.157 0 0
1 84 LEU QD 18 no 100.0 100.0 9.394 9.395 0.001 31 11 no 0.065 0 0
1 85 PHE QB 20 no 100.0 100.0 0.674 0.674 0.000 29 8 no 0.000 0 0
1 86 VAL QG 34 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.000 0 0
1 88 LEU QB 62 no 80.0 99.1 0.115 0.116 0.001 12 2 no 0.111 0 0
1 88 LEU QD 24 no 100.0 100.0 9.299 9.303 0.004 22 4 no 0.182 0 0
1 89 TYR QB 66 no 100.0 99.9 0.247 0.247 0.000 11 1 no 0.067 0 0
1 90 ASP QB 87 no 65.0 99.0 0.327 0.330 0.003 9 1 no 0.159 0 0
1 91 PHE QB 27 no 100.0 100.0 1.444 1.444 0.000 20 6 no 0.023 0 0
1 92 VAL QG 92 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 99 LEU QB 50 no 100.0 100.0 0.232 0.232 0.000 14 8 no 0.000 0 0
1 99 LEU QD 9 no 100.0 99.9 26.925 26.946 0.021 56 18 no 0.211 0 0
1 100 SER QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 101 ILE QG 37 no 100.0 100.0 0.189 0.189 0.000 17 5 no 0.000 0 0
1 103 LYS QB 40 no 100.0 100.0 1.820 1.820 0.000 16 3 no 0.025 0 0
1 103 LYS QG 58 no 100.0 100.0 2.496 2.496 0.000 12 1 no 0.055 0 0
1 104 GLY QA 79 no 85.0 90.3 0.010 0.011 0.001 10 3 no 0.137 0 0
1 105 GLU QB 39 no 100.0 100.0 0.593 0.593 0.000 16 0 no 0.011 0 0
1 105 GLU QG 28 no 100.0 100.0 0.469 0.469 0.000 19 2 no 0.000 0 0
1 106 LYS QB 49 no 100.0 99.9 0.190 0.191 0.000 15 7 no 0.053 0 0
1 106 LYS QD 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 LYS QE 148 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 106 LYS QG 76 no 100.0 100.0 0.319 0.319 0.000 10 1 no 0.000 0 0
1 107 LEU QB 26 no 100.0 99.7 2.532 2.539 0.007 20 6 no 0.184 0 0
1 107 LEU QD 5 no 100.0 100.0 24.471 24.475 0.004 64 23 no 0.154 0 0
1 108 ARG QB 103 no 95.0 100.0 0.163 0.163 0.000 7 0 no 0.019 0 0
1 108 ARG QD 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 ARG QG 105 no 100.0 100.0 0.455 0.455 0.000 7 1 no 0.044 0 0
1 109 VAL QG 22 no 100.0 0.0 0.000 0.001 0.001 24 2 no 0.097 0 0
1 110 LEU QB 107 no 20.0 100.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 110 LEU QD 47 no 80.0 99.8 2.690 2.695 0.005 15 4 no 0.207 0 0
1 111 GLY QA 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 112 TYR QB 61 no 80.0 99.9 0.427 0.428 0.000 12 2 no 0.046 0 0
1 113 ASN QB 215 no 55.0 90.4 0.042 0.046 0.004 1 0 no 0.198 0 0
1 113 ASN QD 140 no 5.0 96.3 0.029 0.030 0.001 4 0 no 0.135 0 0
1 115 ASN QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 ASN QD 183 no 90.0 100.0 1.189 1.189 0.001 2 0 no 0.095 0 0
1 116 GLY QA 212 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.039 0 0
1 117 GLU QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 117 GLU QG 85 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.025 0 0
1 118 TRP QB 75 no 75.0 100.0 0.092 0.092 0.000 10 1 no 0.000 0 0
1 120 GLU QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 120 GLU QG 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 122 GLN QB 91 no 100.0 100.0 0.028 0.028 0.000 8 0 no 0.000 0 0
1 122 GLN QG 99 no 95.0 100.0 0.612 0.612 0.000 8 4 no 0.026 0 0
1 124 LYS QB 120 no 35.0 100.0 0.020 0.020 0.000 6 2 no 0.000 0 0
1 124 LYS QD 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 124 LYS QE 211 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 125 ASN QB 119 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 126 GLY QA 73 no 90.0 100.0 0.224 0.224 0.000 11 5 no 0.000 0 0
1 127 GLN QB 144 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 127 GLN QG 94 no 70.0 99.1 0.050 0.051 0.000 8 2 no 0.094 0 0
1 128 GLY QA 65 no 100.0 100.0 0.515 0.515 0.000 12 6 no 0.000 0 0
1 129 TRP QB 32 no 25.0 100.0 0.015 0.015 0.000 18 4 no 0.000 0 0
1 130 VAL QG 2 no 100.0 100.0 25.015 25.023 0.008 72 24 no 0.162 0 0
1 131 PRO QB 55 no 100.0 100.0 1.612 1.612 0.000 13 7 no 0.033 0 0
1 131 PRO QD 89 no 35.0 100.0 0.001 0.001 0.000 9 4 no 0.000 0 0
1 131 PRO QG 147 no 50.0 100.0 0.037 0.037 0.000 4 4 no 0.000 0 0
1 132 SER QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.020 0 0
1 133 ASN QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 133 ASN QD 145 no 75.0 100.0 0.181 0.181 0.000 4 3 no 0.000 0 0
1 134 TYR QB 23 no 100.0 99.5 1.796 1.804 0.009 24 4 no 0.189 0 0
1 135 ILE QG 68 no 100.0 100.0 0.183 0.183 0.000 11 2 no 0.030 0 0
1 137 PRO QD 136 no 100.0 100.0 0.504 0.504 0.000 4 0 no 0.016 0 0
1 138 VAL QG 78 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.065 0 0
1 141 LEU QD 14 no 100.0 100.0 7.948 7.950 0.002 38 11 no 0.098 0 0
1 142 GLU QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 143 LYS QD 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 143 LYS QG 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 145 SER QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 146 TRP QB 31 no 100.0 100.0 0.595 0.595 0.000 18 4 no 0.000 0 0
1 147 TYR QB 29 no 100.0 99.9 0.356 0.357 0.000 19 8 no 0.051 0 0
1 148 HIS QB 110 no 90.0 25.7 0.004 0.015 0.011 7 3 no 0.402 0 0
1 149 GLY QA 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 150 PRO QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 VAL QG 43 no 100.0 0.0 0.000 0.001 0.001 16 8 no 0.130 0 0
1 152 SER QB 102 no 65.0 98.3 0.050 0.051 0.001 7 0 no 0.119 0 0
1 153 ARG QB 98 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 153 ARG QD 146 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 153 ARG QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 154 ASN QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 157 GLU QB 101 no 35.0 99.7 0.052 0.052 0.000 7 0 no 0.056 0 0
1 157 GLU QG 51 no 95.0 95.9 0.274 0.285 0.012 13 3 no 0.260 0 0
1 158 TYR QB 60 no 100.0 100.0 0.845 0.845 0.000 12 2 no 0.017 0 0
1 159 LEU QB 42 no 100.0 100.0 1.113 1.113 0.000 16 8 no 0.000 0 0
1 159 LEU QD 12 no 100.0 99.9 23.956 23.971 0.014 44 13 no 0.185 0 0
1 160 LEU QB 64 no 100.0 100.0 0.704 0.704 0.000 12 5 no 0.000 0 0
1 160 LEU QD 4 no 100.0 100.0 16.644 16.651 0.006 67 26 no 0.148 0 0
1 161 SER QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 163 GLY QA 109 no 100.0 99.9 0.928 0.929 0.001 7 3 no 0.101 0 0
1 164 ILE QG 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 166 GLY QA 88 no 45.0 100.0 0.024 0.024 0.000 9 2 no 0.000 0 0
1 167 SER QB 97 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 168 PHE QB 21 no 100.0 100.0 3.251 3.251 0.000 27 15 no 0.029 0 0
1 169 LEU QD 10 no 100.0 99.8 14.273 14.300 0.027 50 17 no 0.351 0 0
1 170 VAL QG 13 no 100.0 0.0 0.000 0.000 0.000 40 16 no 0.000 0 0
1 171 ARG QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 171 ARG QD 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 171 ARG QG 82 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.060 0 0
1 172 GLU QB 133 no 80.0 100.0 0.315 0.315 0.000 4 0 no 0.000 0 0
1 172 GLU QG 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 173 SER QB 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 174 GLU QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 174 GLU QG 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 175 SER QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 176 SER QB 100 no 100.0 0.0 0.000 0.002 0.002 8 6 no 0.172 0 0
1 177 PRO QB 166 no 40.0 100.0 0.001 0.001 0.000 2 0 no 0.000 0 0
1 179 GLN QB 77 no 100.0 100.0 0.272 0.272 0.000 10 2 no 0.000 0 0
1 179 GLN QG 96 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.172 0 0
1 180 ARG QB 57 no 100.0 100.0 0.396 0.396 0.000 12 0 no 0.000 0 0
1 180 ARG QD 210 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 181 SER QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 182 ILE QG 36 no 100.0 100.0 1.289 1.289 0.000 17 5 no 0.011 0 0
1 183 SER QB 81 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.045 0 0
1 184 LEU QB 38 no 100.0 99.9 1.539 1.540 0.001 17 8 no 0.077 0 0
1 184 LEU QD 7 no 100.0 99.9 28.134 28.161 0.027 62 20 no 0.250 0 0
1 185 ARG QB 46 no 100.0 99.8 0.352 0.353 0.001 15 3 no 0.092 0 0
1 185 ARG QD 125 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 185 ARG QG 45 no 100.0 100.0 1.196 1.196 0.000 15 2 no 0.067 0 0
1 186 TYR QB 84 no 100.0 99.2 0.202 0.204 0.002 9 0 no 0.123 0 0
1 187 GLU QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 187 GLU QG 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.055 0 0
1 189 ARG QD 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 189 ARG QG 114 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 190 VAL QG 25 no 100.0 0.0 0.000 0.001 0.001 20 4 no 0.076 0 0
1 191 TYR QB 86 no 100.0 100.0 0.261 0.261 0.000 9 1 no 0.000 0 0
1 193 TYR QB 63 no 100.0 99.9 1.443 1.444 0.001 12 4 no 0.108 0 0
1 194 ARG QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 194 ARG QD 129 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.142 0 0
1 194 ARG QG 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 195 ILE QG 69 no 100.0 100.0 1.611 1.611 0.000 11 3 no 0.000 0 0
1 196 ASN QB 90 no 100.0 100.0 0.060 0.060 0.000 8 0 no 0.000 0 0
1 200 ASP QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 201 GLY QA 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.051 0 0
1 202 LYS QB 41 no 60.0 100.0 0.134 0.134 0.000 16 8 no 0.000 0 0
1 202 LYS QD 124 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 202 LYS QE 209 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 202 LYS QG 74 no 100.0 100.0 3.500 3.500 0.000 10 0 no 0.064 0 0
1 203 LEU QB 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 203 LEU QD 11 no 100.0 100.0 43.939 43.948 0.009 46 14 no 0.155 0 0
1 204 TYR QB 35 no 100.0 100.0 2.079 2.079 0.000 17 2 no 0.039 0 0
1 205 VAL QG 17 no 100.0 0.0 0.000 0.004 0.004 32 10 no 0.108 0 0
1 206 SER QB 123 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 207 SER QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 208 GLU QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 208 GLU QG 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 209 SER QB 122 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 210 ARG QB 71 no 100.0 100.0 1.349 1.349 0.000 11 4 no 0.000 0 0
1 210 ARG QD 118 no 100.0 0.0 0.000 0.002 0.002 6 2 no 0.098 0 0
1 210 ARG QG 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 211 PHE QB 30 no 100.0 99.4 0.594 0.598 0.004 18 4 no 0.174 0 0
1 212 ASN QB 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 214 LEU QB 54 no 80.0 100.0 0.412 0.412 0.000 13 6 no 0.020 0 0
1 214 LEU QD 6 no 100.0 100.0 18.922 18.923 0.000 64 27 no 0.048 0 0
1 216 GLU QG 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 217 LEU QB 53 no 5.0 100.0 0.000 0.000 0.000 13 6 no 0.000 0 0
1 217 LEU QD 1 no 100.0 100.0 40.039 40.041 0.001 73 27 no 0.091 0 0
1 218 VAL QG 15 no 100.0 0.0 0.000 0.009 0.009 34 16 no 0.234 0 0
1 219 HIS QB 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 220 HIS QB 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 221 HIS QB 33 no 95.0 100.0 0.419 0.419 0.000 18 6 no 0.000 0 0
1 224 VAL QG 16 no 100.0 99.6 13.139 13.197 0.058 33 6 no 0.272 0 0
1 226 ASP QB 95 no 100.0 0.0 0.000 0.000 0.000 8 3 no 0.000 0 0
1 227 GLY QA 151 no 5.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 228 LEU QB 72 no 100.0 89.1 0.228 0.256 0.028 11 5 no 0.253 0 0
1 228 LEU QD 8 no 100.0 99.9 27.967 27.981 0.015 58 27 no 0.235 0 0
1 229 ILE QG 59 no 100.0 99.5 1.909 1.919 0.010 12 2 no 0.142 0 0
1 232 LEU QB 208 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 232 LEU QD 3 no 100.0 100.0 27.966 27.967 0.001 67 25 no 0.053 0 0
1 233 HIS QB 112 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 234 TYR QB 121 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 235 PRO QB 106 no 85.0 100.0 0.658 0.658 0.000 7 2 no 0.000 0 0
1 235 PRO QD 52 no 70.0 100.0 0.063 0.063 0.000 13 4 no 0.000 0 0
1 235 PRO QG 127 no 55.0 100.0 0.217 0.217 0.000 4 0 no 0.000 0 0
1 237 PRO QB 149 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 237 PRO QD 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.040 0 0
1 237 PRO QG 214 no 50.0 98.2 0.039 0.039 0.001 1 0 no 0.114 0 0
1 238 LYS QB 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 239 ARG QB 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 2:19:06 AM GMT (wattos1)