NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
648518 |
6rwg   |
34409 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6rwg
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 198
_Stereo_assign_list.Swap_count 27
_Stereo_assign_list.Swap_percentage 13.6
_Stereo_assign_list.Deassign_count 21
_Stereo_assign_list.Deassign_percentage 10.6
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 13.410
_Stereo_assign_list.Total_e_high_states 44.872
_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 6 SER QB 154 no 10.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 7 ILE QG 198 no 20.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 8 LEU QB 138 no 100.0 7.4 0.000 0.004 0.003 4 0 no 0.121 0 0
1 8 LEU QD 137 no 100.0 0.0 0.000 0.012 0.012 4 0 no 0.192 0 0
1 9 ASP QB 76 no 80.0 80.1 0.007 0.009 0.002 5 0 no 0.305 0 0
1 10 ILE QG 197 no 50.0 96.8 0.110 0.114 0.004 1 0 no 0.126 0 0
1 11 ARG QB 136 no 80.0 70.7 0.290 0.411 0.121 4 0 no 0.822 0 2
1 11 ARG QD 135 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.179 0 0
1 11 ARG QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.032 0 0
1 12 GLN QB 53 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 12 GLN QG 36 no 100.0 80.2 0.011 0.014 0.003 7 0 no 0.337 0 0
1 13 GLY QA 75 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 14 PRO QB 187 no 100.0 100.0 0.028 0.028 0.000 2 0 no 0.365 0 0
1 14 PRO QD 153 yes 100.0 99.9 0.166 0.166 0.000 3 0 no 0.048 0 0
1 15 LYS QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 LYS QD 134 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.113 0 0
1 15 LYS QG 152 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 16 GLU QB 20 yes 100.0 99.9 2.267 2.268 0.001 8 0 no 0.069 0 0
1 16 GLU QG 52 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.157 0 0
1 17 PRO QB 133 no 20.0 100.0 0.001 0.001 0.000 4 0 no 0.000 0 0
1 18 PHE QB 9 no 100.0 100.0 0.029 0.029 0.000 9 0 no 0.366 0 0
1 19 ARG QB 74 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 19 ARG QD 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.060 0 0
1 19 ARG QG 73 no 40.0 60.8 0.124 0.203 0.080 5 0 no 0.836 0 1
1 20 ASP QB 19 yes 100.0 99.6 0.557 0.560 0.002 8 0 no 0.097 0 0
1 21 TYR QB 72 no 30.0 100.0 0.004 0.004 0.000 5 0 no 0.000 0 0
1 22 VAL QG 8 no 100.0 100.0 1.342 1.342 0.000 9 0 no 0.046 0 0
1 23 ASP QB 35 no 80.0 80.8 0.074 0.092 0.018 7 0 no 0.613 0 1
1 24 ARG QB 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 24 ARG QD 34 no 40.0 8.9 0.121 1.359 1.239 7 0 yes 1.684 6 7
1 24 ARG QG 130 no 80.0 89.7 0.032 0.036 0.004 4 0 no 0.459 0 0
1 25 PHE QB 51 no 100.0 0.0 0.000 0.009 0.009 6 0 no 0.134 0 0
1 26 TYR QB 33 no 60.0 86.0 0.042 0.048 0.007 7 0 no 0.551 0 1
1 27 LYS QB 50 no 50.0 0.0 0.000 1.283 1.283 6 0 yes 1.616 5 5
1 27 LYS QD 185 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.104 0 0
1 27 LYS QG 151 no 30.0 62.7 0.027 0.042 0.016 3 0 no 0.321 0 0
1 29 LEU QB 49 no 60.0 100.0 0.340 0.340 0.000 6 0 no 0.000 0 0
1 29 LEU QD 48 no 30.0 58.2 0.013 0.023 0.009 6 0 no 0.233 0 0
1 30 ARG QB 71 no 50.0 5.5 0.042 0.755 0.714 5 0 yes 1.161 4 5
1 30 ARG QD 196 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.002 0 0
1 30 ARG QG 129 no 90.0 18.4 0.001 0.003 0.002 4 0 no 0.119 0 0
1 32 GLU QB 150 no 30.0 100.0 0.002 0.002 0.000 3 0 no 0.000 0 0
1 32 GLU QG 32 yes 100.0 99.0 1.194 1.206 0.013 7 0 no 0.175 0 0
1 33 GLN QB 128 no 80.0 76.6 0.034 0.044 0.010 4 0 no 0.459 0 0
1 33 GLN QG 127 no 90.0 81.7 0.048 0.059 0.011 4 0 no 0.610 0 1
1 35 SER QB 31 yes 90.0 95.4 0.208 0.218 0.010 7 0 no 0.316 0 0
1 36 GLN QB 126 no 80.0 92.8 0.050 0.054 0.004 4 0 no 0.102 0 0
1 36 GLN QG 184 no 40.0 100.0 0.001 0.001 0.000 2 0 no 0.000 0 0
1 37 GLU QB 149 yes 90.0 98.8 0.115 0.116 0.001 3 0 no 0.081 0 0
1 37 GLU QG 47 no 20.0 46.5 0.003 0.007 0.004 6 0 no 0.146 0 0
1 38 VAL QG 7 no 30.0 91.5 0.040 0.044 0.004 9 0 no 0.530 0 1
1 39 LYS QB 70 yes 80.0 84.3 0.121 0.143 0.022 5 0 no 0.348 0 0
1 39 LYS QD 183 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.036 0 0
1 39 LYS QG 18 no 50.0 46.9 0.047 0.100 0.053 8 0 no 0.454 0 0
1 40 ASN QB 6 yes 80.0 99.1 0.286 0.288 0.003 9 0 no 0.163 0 0
1 44 GLU QB 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 44 GLU QG 124 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.136 0 0
1 46 LEU QB 3 no 40.0 32.4 0.099 0.306 0.207 10 0 no 0.890 0 3
1 46 LEU QD 69 no 50.0 5.9 0.090 1.525 1.435 5 0 yes 1.942 5 5
1 47 LEU QB 123 no 100.0 100.0 0.058 0.058 0.000 4 0 no 0.387 0 0
1 47 LEU QD 182 no 50.0 15.9 0.335 2.103 1.768 2 0 yes 2.281 5 7
1 48 VAL QG 17 no 70.0 65.8 0.506 0.770 0.264 8 0 yes 1.497 1 2
1 49 GLN QB 30 no 40.0 58.8 0.342 0.582 0.240 7 0 yes 1.693 2 2
1 49 GLN QG 122 no 60.0 11.3 0.003 0.024 0.022 4 0 no 0.251 0 0
1 50 ASN QB 16 no 60.0 22.7 0.125 0.551 0.426 8 0 yes 1.150 3 4
1 50 ASN QD 181 yes 100.0 99.9 0.189 0.189 0.000 2 0 no 0.037 0 0
1 52 ASN QB 121 no 100.0 52.8 0.000 0.000 0.000 4 0 no 0.017 0 0
1 52 ASN QD 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 PRO QB 148 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.008 0 0
1 53 PRO QD 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 ASP QB 120 no 100.0 0.0 0.000 0.037 0.037 4 0 no 0.417 0 0
1 55 CYS QB 15 yes 90.0 80.6 0.673 0.835 0.162 8 0 yes 1.271 1 1
1 56 LYS QB 46 no 70.0 47.5 0.038 0.080 0.042 6 0 no 0.504 0 1
1 56 LYS QD 5 no 90.0 75.3 0.880 1.169 0.289 9 0 yes 1.499 1 2
1 56 LYS QG 29 no 40.0 84.3 0.029 0.035 0.005 7 0 no 0.178 0 0
1 58 ILE QG 45 no 80.0 78.7 1.440 1.830 0.389 6 0 yes 1.441 2 2
1 59 LEU QB 68 yes 100.0 100.0 0.898 0.898 0.000 5 0 no 0.000 0 0
1 59 LEU QD 14 no 100.0 100.0 3.314 3.314 0.001 8 0 no 0.050 0 0
1 60 LYS QB 147 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 60 LYS QD 178 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.102 0 0
1 60 LYS QG 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 62 LEU QB 44 no 50.0 96.5 0.119 0.123 0.004 6 0 no 0.152 0 0
1 62 LEU QD 43 no 100.0 98.9 0.987 0.997 0.011 6 0 no 0.135 0 0
1 63 GLY QA 118 no 100.0 96.9 0.006 0.006 0.000 4 0 no 0.186 0 0
1 64 PRO QB 117 no 60.0 99.1 0.394 0.398 0.004 4 0 no 0.112 0 0
1 64 PRO QD 116 no 100.0 99.1 0.061 0.061 0.001 4 0 no 0.383 0 0
1 64 PRO QG 146 yes 100.0 99.8 0.826 0.827 0.001 3 0 no 0.093 0 0
1 65 GLY QA 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 68 LEU QB 67 yes 100.0 99.9 0.146 0.147 0.000 5 0 no 0.026 0 0
1 68 LEU QD 13 no 80.0 0.7 0.000 0.001 0.001 8 0 no 0.107 0 0
1 69 GLU QB 145 no 90.0 96.0 0.019 0.019 0.001 3 0 no 0.083 0 0
1 69 GLU QG 66 no 100.0 100.0 0.021 0.021 0.000 5 0 no 0.419 0 0
1 70 GLU QB 28 no 10.0 72.4 0.049 0.067 0.019 7 0 no 0.257 0 0
1 70 GLU QG 42 yes 100.0 95.7 0.269 0.281 0.012 6 0 no 0.247 0 0
1 71 MET QB 144 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 71 MET QG 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 72 MET QB 41 yes 100.0 100.0 0.573 0.573 0.000 6 0 no 0.021 0 0
1 72 MET QG 113 no 90.0 94.6 0.010 0.011 0.001 4 0 no 0.269 0 0
1 75 CYS QB 27 yes 100.0 99.9 0.548 0.549 0.001 7 0 no 0.048 0 0
1 76 GLN QB 26 yes 80.0 79.8 0.409 0.513 0.104 7 0 no 0.766 0 2
1 76 GLN QG 65 no 60.0 30.1 0.209 0.695 0.486 5 0 yes 1.693 2 2
1 77 GLY QA 64 no 40.0 8.5 0.027 0.317 0.291 5 0 yes 1.206 1 3
1 79 GLY QA 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 80 GLY QA 111 no 20.0 91.8 0.001 0.001 0.000 4 0 no 0.032 0 0
1 81 PRO QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.024 0 0
1 81 PRO QD 195 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 82 GLY QA 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 83 HIS QB 176 yes 80.0 82.7 0.324 0.391 0.068 2 0 no 0.654 0 1
1 84 LYS QB 175 no 80.0 47.5 0.033 0.070 0.037 2 0 no 0.426 0 0
1 84 LYS QG 194 yes 80.0 96.8 0.279 0.288 0.009 1 0 no 0.262 0 0
1 86 ARG QB 109 no 50.0 52.5 0.006 0.011 0.005 4 0 no 0.233 0 0
1 87 VAL QG 108 no 40.0 20.8 0.002 0.010 0.008 4 0 no 0.173 0 0
1 88 LEU QB 63 no 50.0 4.8 0.047 0.975 0.928 5 0 yes 1.401 5 5
1 88 LEU QD 107 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.083 0 0
1 90 GLU QB 106 no 70.0 84.6 0.062 0.073 0.011 4 0 no 0.246 0 0
1 90 GLU QG 174 no 30.0 16.7 0.002 0.014 0.012 2 0 no 0.190 0 0
1 92 MET QB 105 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 MET QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 SER QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 GLN QB 104 no 80.0 64.1 0.006 0.009 0.003 4 0 no 0.223 0 0
1 94 GLN QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 VAL QG 103 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 97 ASN QB 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 98 PRO QB 170 no 100.0 98.8 0.087 0.088 0.001 2 0 no 0.466 0 0
1 98 PRO QD 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 98 PRO QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 ILE QG 101 no 70.0 77.6 0.422 0.545 0.122 4 0 yes 1.411 1 6
1 102 MET QB 100 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 102 MET QG 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 ILE QG 143 no 10.0 55.1 0.000 0.000 0.000 3 0 no 0.012 0 0
1 104 GLN QB 99 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 104 GLN QE 193 no 100.0 100.0 0.034 0.034 0.000 1 0 no 0.515 0 1
1 104 GLN QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 105 LYS QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 GLY QA 98 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 107 ASN QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 PHE QB 97 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 113 LYS QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 113 LYS QE 192 no 90.0 89.8 0.014 0.016 0.002 1 0 no 0.395 0 0
1 113 LYS QG 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.029 0 0
1 115 VAL QG 62 no 60.0 95.2 2.411 2.532 0.121 5 0 no 0.775 0 2
1 116 LYS QB 25 no 70.0 55.4 0.461 0.833 0.372 7 0 yes 1.505 4 5
1 117 CYS QB 1 no 50.0 51.9 0.220 0.424 0.204 13 0 yes 1.325 2 5
1 118 PHE QB 61 no 40.0 37.1 0.013 0.035 0.022 5 0 no 0.553 0 1
1 119 ASN QB 4 yes 100.0 100.0 0.203 0.203 0.000 9 0 no 0.000 0 0
1 119 ASN QD 142 no 30.0 98.6 0.258 0.262 0.004 3 0 no 0.191 0 0
1 120 CYS QB 96 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 121 GLY QA 12 no 20.0 98.6 0.017 0.018 0.000 8 0 no 0.049 0 0
1 122 LYS QB 95 no 70.0 69.1 0.181 0.262 0.081 4 0 yes 1.207 1 2
1 122 LYS QG 94 no 40.0 81.1 0.070 0.086 0.016 4 0 no 0.264 0 0
1 123 GLU QB 40 no 80.0 34.8 0.046 0.132 0.086 6 0 no 0.904 0 1
1 123 GLU QG 11 no 60.0 24.4 0.006 0.026 0.020 8 0 no 0.250 0 0
1 124 GLY QA 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 125 HIS QB 92 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.113 0 0
1 126 ILE QG 91 no 40.0 60.7 0.282 0.464 0.182 4 0 yes 1.307 2 4
1 128 LYS QB 90 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 128 LYS QG 24 no 60.0 36.6 0.170 0.464 0.294 7 0 yes 1.564 2 2
1 129 ASN QB 60 no 30.0 50.4 0.167 0.332 0.164 5 0 yes 1.106 1 2
1 129 ASN QD 191 no 80.0 98.8 0.450 0.456 0.006 1 0 no 0.233 0 0
1 130 CYS QB 39 yes 90.0 86.7 0.188 0.217 0.029 6 0 no 0.401 0 0
1 131 ARG QB 89 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 131 ARG QD 161 no 100.0 0.0 0.000 0.005 0.005 2 0 no 0.156 0 0
1 131 ARG QG 160 no 20.0 95.6 0.014 0.015 0.001 2 0 no 0.062 0 0
1 134 ARG QB 59 no 40.0 18.0 0.006 0.036 0.029 5 0 no 0.391 0 0
1 134 ARG QG 141 no 20.0 99.4 0.002 0.002 0.000 3 0 no 0.011 0 0
1 135 LYS QB 38 no 60.0 93.7 0.291 0.311 0.019 6 0 no 0.211 0 0
1 135 LYS QD 88 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.124 0 0
1 135 LYS QG 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.063 0 0
1 136 LYS QB 86 yes 80.0 89.7 0.160 0.179 0.018 4 0 no 0.261 0 0
1 136 LYS QD 159 no 50.0 1.5 0.001 0.041 0.041 2 0 no 0.640 0 1
1 136 LYS QG 140 no 90.0 95.5 0.072 0.075 0.003 3 0 no 0.426 0 0
1 137 GLY QA 23 yes 80.0 89.9 0.318 0.354 0.036 7 0 no 0.564 0 1
1 138 CYS QB 2 no 100.0 0.1 0.000 0.002 0.002 11 0 no 0.118 0 0
1 139 TRP QB 85 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 140 LYS QB 22 yes 100.0 96.5 0.443 0.459 0.016 7 0 no 0.198 0 0
1 140 LYS QD 84 no 0.0 0.0 0.000 0.002 0.002 4 0 no 0.073 0 0
1 140 LYS QG 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 141 CYS QB 58 no 50.0 75.0 0.222 0.296 0.074 5 0 no 0.658 0 1
1 142 GLY QA 21 no 30.0 24.3 0.055 0.224 0.170 7 0 no 0.954 0 2
1 143 LYS QB 83 no 70.0 41.6 0.070 0.168 0.098 4 0 no 0.982 0 1
1 143 LYS QD 190 no 90.0 49.2 0.002 0.004 0.002 1 0 no 0.199 0 0
1 143 LYS QG 157 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.083 0 0
1 144 GLU QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 GLU QG 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 145 GLY QA 82 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 146 HIS QB 81 no 10.0 79.1 0.002 0.003 0.001 4 0 no 0.074 0 0
1 147 GLN QB 37 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 147 GLN QG 57 no 50.0 65.9 0.155 0.235 0.080 5 0 no 0.611 0 2
1 148 MET QB 10 yes 90.0 98.0 1.323 1.349 0.027 8 0 no 0.433 0 0
1 148 MET QG 56 yes 90.0 98.2 0.143 0.146 0.003 5 0 no 0.137 0 0
1 149 LYS QB 80 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 149 LYS QD 79 no 100.0 0.0 0.000 0.023 0.023 4 0 no 0.231 0 0
1 149 LYS QG 55 no 60.0 78.4 0.103 0.132 0.028 5 0 no 0.879 0 2
1 150 ASP QB 78 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 151 CYS QB 54 yes 100.0 100.0 0.148 0.148 0.000 5 0 no 0.000 0 0
1 153 GLU QB 77 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 153 GLU QG 139 no 90.0 28.5 0.001 0.003 0.002 3 0 no 0.171 0 0
1 155 GLN QB 189 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
stop_
save_
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