Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484054 | 2f65 RC | 4300 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2f65
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 207
_Stereo_assign_list.Swap_count 28
_Stereo_assign_list.Swap_percentage 13.5
_Stereo_assign_list.Deassign_count 92
_Stereo_assign_list.Deassign_percentage 44.4
_Stereo_assign_list.Model_count 21
_Stereo_assign_list.Total_e_low_states 120.277
_Stereo_assign_list.Total_e_high_states 248.874
_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 VAL QG 9 no 66.7 1.9 0.057 2.922 2.865 45 7 yes 2.564 22 35
1 4 TYR QB 207 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 5 ILE QG 71 no 100.0 79.2 0.934 1.180 0.246 26 7 no 0.996 0 3
1 8 GLY QA 104 no 100.0 0.0 0.000 0.000 0.000 21 0 no 0.000 0 0
1 9 SER QB 131 no 61.9 41.4 0.750 1.814 1.063 17 8 yes 2.557 11 23
1 14 PRO QB 195 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 14 PRO QG 206 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 15 LEU QB 135 yes 95.2 18.4 0.370 2.015 1.645 16 1 yes 2.994 9 16
1 15 LEU QD 202 no 71.4 76.2 0.715 0.937 0.223 1 0 yes 1.605 2 3
1 16 GLU QB 194 no 33.3 4.1 0.011 0.265 0.254 2 2 no 0.192 0 0
1 16 GLU QG 170 no 71.4 22.2 0.927 4.183 3.256 6 1 yes 2.330 11 20
1 17 GLN QB 150 yes 76.2 61.1 0.720 1.178 0.458 12 8 no 0.860 0 2
1 17 GLN QE 128 no 100.0 47.2 2.970 6.295 3.326 17 4 yes 2.714 19 34
1 17 GLN QG 189 no 19.0 92.1 0.021 0.023 0.002 2 1 no 0.000 0 0
1 18 VAL QG 2 no 38.1 9.7 0.244 2.512 2.268 59 24 yes 1.623 3 18
1 19 ASN QB 48 no 76.2 84.3 0.606 0.720 0.113 30 10 no 0.847 0 4
1 19 ASN QD 75 no 42.9 15.1 0.773 5.136 4.363 26 13 yes 3.391 20 23
1 22 LEU QB 25 no 71.4 78.6 0.337 0.429 0.092 39 14 yes 1.177 1 1
1 22 LEU QD 21 no 47.6 80.0 0.140 0.175 0.035 40 18 no 0.763 0 1
1 23 LYS QD 177 no 9.5 91.2 0.001 0.001 0.000 3 0 no 0.037 0 0
1 23 LYS QG 94 no 100.0 0.0 0.000 0.000 0.000 23 1 no 0.000 0 0
1 25 LEU QB 31 no 95.2 55.3 1.343 2.430 1.086 36 5 yes 1.366 4 27
1 25 LEU QD 158 no 4.8 100.0 0.003 0.003 0.000 10 3 no 0.000 0 0
1 26 GLY QA 93 no 100.0 68.8 0.002 0.003 0.001 23 0 no 0.210 0 0
1 27 ASP QB 110 no 66.7 28.8 0.043 0.148 0.106 20 2 no 0.581 0 4
1 28 ILE QG 205 no 23.8 100.0 0.003 0.003 0.000 1 1 no 0.000 0 0
1 29 PRO QB 54 yes 100.0 89.5 0.834 0.932 0.098 29 13 yes 1.165 1 2
1 29 PRO QD 28 no 100.0 81.3 12.084 14.857 2.774 38 9 yes 3.099 16 23
1 29 PRO QG 193 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 30 GLU QB 50 no 95.2 2.4 0.001 0.053 0.052 30 12 no 0.725 0 2
1 30 GLU QG 85 no 66.7 92.7 1.384 1.494 0.109 24 8 yes 1.472 16 22
1 31 SER QB 201 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 32 HIS QB 126 no 52.4 66.6 0.278 0.418 0.140 17 0 no 0.495 0 0
1 34 LEU QB 64 yes 81.0 50.3 0.848 1.687 0.839 27 3 yes 1.228 6 9
1 36 VAL QG 44 no 61.9 20.6 0.105 0.508 0.403 31 9 yes 1.610 3 9
1 38 SER QB 106 no 71.4 23.9 0.464 1.940 1.476 21 6 no 0.815 0 11
1 39 PHE QB 41 yes 95.2 95.9 0.122 0.127 0.005 33 13 no 0.216 0 0
1 40 TYR QB 136 no 85.7 85.6 3.039 3.551 0.512 16 8 yes 1.132 3 12
1 41 ARG QD 156 no 100.0 100.0 0.000 0.000 0.000 11 7 no 0.000 0 0
1 41 ARG QG 123 no 47.6 47.3 0.200 0.422 0.223 18 8 yes 1.494 2 2
1 43 PRO QB 116 yes 90.5 91.0 0.146 0.160 0.014 20 13 no 0.492 0 0
1 43 PRO QG 148 no 4.8 0.6 0.002 0.275 0.274 12 5 yes 1.584 3 3
1 44 PRO QB 185 no 19.0 100.0 0.013 0.013 0.000 2 0 no 0.000 0 0
1 44 PRO QD 89 no 52.4 9.3 0.035 0.373 0.339 24 11 no 0.968 0 8
1 44 PRO QG 102 no 28.6 48.6 0.110 0.226 0.116 22 12 yes 1.074 1 3
1 45 LEU QD 166 no 71.4 60.7 0.120 0.198 0.078 8 1 yes 1.215 3 3
1 46 GLY QA 138 no 100.0 0.0 0.000 0.000 0.000 15 0 no 0.000 0 0
1 47 PRO QB 153 yes 85.7 86.5 0.761 0.880 0.119 11 2 yes 1.019 1 3
1 47 PRO QD 200 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 48 GLN QB 108 no 61.9 81.0 0.217 0.268 0.051 21 10 no 0.673 0 1
1 48 GLN QE 47 no 76.2 44.3 2.570 5.803 3.233 31 15 yes 1.350 9 22
1 49 ASP QB 145 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 50 GLN QB 192 no 4.8 94.0 0.000 0.000 0.000 2 2 no 0.008 0 0
1 50 GLN QE 152 no 19.0 0.0 0.000 0.951 0.951 11 0 yes 1.672 9 13
1 50 GLN QG 181 no 61.9 44.6 0.269 0.604 0.335 3 2 yes 1.403 2 9
1 51 PRO QB 149 no 100.0 33.8 0.000 0.000 0.000 12 7 no 0.016 0 0
1 51 PRO QD 147 no 100.0 100.0 0.037 0.037 0.000 12 5 no 0.671 0 2
1 52 ASP QB 151 yes 76.2 63.6 0.159 0.250 0.091 11 0 yes 1.093 1 2
1 53 TYR QB 180 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 54 LEU QB 88 yes 100.0 73.1 1.622 2.218 0.596 24 11 yes 1.416 1 16
1 54 LEU QD 4 no 57.1 3.8 0.049 1.272 1.224 55 24 yes 2.186 9 15
1 55 ASN QB 95 no 52.4 31.8 0.164 0.515 0.352 23 7 no 0.727 0 2
1 58 VAL QG 169 no 57.1 93.4 0.121 0.129 0.008 7 2 no 0.421 0 0
1 60 LEU QB 65 no 66.7 13.5 0.472 3.491 3.020 27 8 yes 2.176 20 21
1 60 LEU QD 27 no 57.1 99.8 0.016 0.016 0.000 38 7 no 0.013 0 0
1 61 GLU QB 111 no 14.3 96.5 0.000 0.000 0.000 20 5 no 0.005 0 0
1 61 GLU QG 100 no 28.6 43.7 0.067 0.154 0.087 22 8 no 0.144 0 0
1 64 LEU QB 24 no 95.2 53.9 0.570 1.058 0.488 39 14 yes 1.138 2 15
1 64 LEU QD 173 no 81.0 100.0 0.827 0.827 0.000 5 2 no 0.001 0 0
1 66 PRO QB 13 no 47.6 81.4 0.168 0.207 0.038 45 27 no 0.482 0 0
1 66 PRO QD 30 yes 100.0 91.1 0.532 0.584 0.052 38 20 no 0.760 0 1
1 66 PRO QG 14 no 66.7 15.3 0.261 1.707 1.446 44 30 yes 1.630 4 17
1 67 GLU QG 117 no 95.2 31.9 0.337 1.057 0.720 19 7 no 0.173 0 0
1 68 GLU QB 23 no 19.0 2.5 0.011 0.429 0.418 39 14 yes 1.606 3 5
1 68 GLU QG 167 no 85.7 45.6 0.440 0.965 0.524 8 6 yes 1.165 2 5
1 69 LEU QB 5 no 61.9 4.5 0.094 2.075 1.981 53 19 yes 1.912 16 48
1 69 LEU QD 155 no 100.0 99.4 4.331 4.356 0.026 11 6 no 0.260 0 0
1 70 LEU QB 29 no 71.4 65.0 0.462 0.711 0.249 38 15 no 0.600 0 1
1 70 LEU QD 3 no 66.7 3.3 0.068 2.066 1.998 56 29 yes 2.216 15 34
1 71 ASN QB 73 no 100.0 0.0 0.000 0.000 0.000 26 10 no 0.000 0 0
1 71 ASN QD 18 no 95.2 24.7 0.345 1.396 1.051 41 14 yes 1.752 6 23
1 72 HIS QB 26 no 95.2 66.4 2.043 3.079 1.036 38 4 yes 2.699 4 6
1 74 GLN QB 204 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 74 GLN QG 114 no 81.0 94.0 2.575 2.739 0.163 20 8 no 0.898 0 5
1 75 ARG QB 33 no 85.7 59.9 0.011 0.018 0.007 36 16 no 0.600 0 1
1 75 ARG QD 91 no 57.1 3.5 0.035 1.015 0.980 24 13 yes 1.766 6 20
1 75 ARG QG 90 yes 95.2 89.2 0.279 0.313 0.034 24 12 no 0.834 0 1
1 76 ILE QG 188 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 77 GLU QB 20 no 33.3 7.2 0.387 5.368 4.982 41 16 yes 3.075 28 46
1 77 GLU QG 67 no 71.4 66.2 0.781 1.179 0.398 27 9 yes 3.139 4 7
1 78 LEU QB 83 no 100.0 0.0 0.000 0.000 0.000 24 5 no 0.042 0 0
1 78 LEU QD 199 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 79 GLN QB 144 no 100.0 0.0 0.000 0.000 0.000 13 6 no 0.000 0 0
1 79 GLN QG 79 no 47.6 23.4 0.073 0.313 0.240 25 13 no 0.834 0 1
1 80 GLN QB 191 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 81 GLY QA 187 no 66.7 86.8 1.157 1.333 0.176 2 1 no 0.403 0 0
1 83 VAL QG 179 no 100.0 100.0 0.000 0.000 0.000 3 1 no 0.052 0 0
1 84 ARG QB 140 no 0.0 0.0 0.000 0.004 0.004 14 3 no 0.237 0 0
1 84 ARG QG 160 yes 76.2 14.1 0.188 1.333 1.145 10 4 yes 3.015 2 4
1 85 LYS QB 137 yes 76.2 42.9 0.458 1.068 0.610 16 10 yes 1.776 3 9
1 85 LYS QG 161 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 87 GLU QB 146 no 71.4 8.6 0.083 0.963 0.880 12 5 yes 1.637 8 15
1 87 GLU QG 162 no 95.2 86.6 0.020 0.023 0.003 9 2 no 0.533 0 1
1 91 PRO QB 130 no 100.0 98.9 2.920 2.954 0.034 17 6 no 0.811 0 1
1 91 PRO QD 176 yes 100.0 92.9 2.127 2.291 0.163 4 4 no 0.000 0 0
1 91 PRO QG 174 no 38.1 98.2 0.100 0.102 0.002 5 5 no 0.192 0 0
1 94 LEU QB 80 no 95.2 17.5 0.082 0.466 0.385 24 1 yes 1.496 4 7
1 94 LEU QD 175 no 38.1 25.8 0.611 2.372 1.761 4 0 yes 2.522 11 15
1 95 ASP QB 165 no 71.4 76.5 0.450 0.588 0.138 8 0 yes 1.263 4 14
1 96 LEU QB 72 no 76.2 93.2 0.510 0.547 0.037 26 10 no 0.418 0 0
1 96 LEU QD 172 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 97 ASP QB 103 no 100.0 0.0 0.000 0.000 0.000 21 0 no 0.013 0 0
1 98 ILE QG 56 yes 81.0 84.9 0.340 0.400 0.061 28 5 no 0.583 0 2
1 99 MET QB 183 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 99 MET QG 129 no 42.9 17.8 0.178 1.001 0.823 17 5 yes 1.308 4 15
1 100 LEU QB 46 no 33.3 51.6 0.075 0.144 0.070 31 15 no 0.708 0 2
1 100 LEU QD 16 no 61.9 44.9 1.501 3.343 1.841 43 18 yes 2.442 24 31
1 101 PHE QB 37 no 28.6 95.5 0.024 0.026 0.001 34 12 no 0.401 0 0
1 102 GLY QA 198 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 103 ASN QB 60 no 66.7 65.8 0.842 1.280 0.438 28 11 yes 1.685 10 20
1 103 ASN QD 119 no 19.0 87.4 0.180 0.206 0.026 19 9 no 0.533 0 1
1 104 GLU QB 32 yes 90.5 70.4 0.656 0.932 0.276 36 10 yes 1.754 1 7
1 104 GLU QG 36 no 95.2 0.0 0.000 0.014 0.014 34 6 no 0.118 0 0
1 105 VAL QG 164 no 90.5 61.1 2.242 3.666 1.424 9 6 yes 2.618 4 6
1 106 ILE QG 178 no 57.1 96.7 0.011 0.011 0.000 3 1 no 0.060 0 0
1 107 ASN QB 121 no 95.2 91.5 1.134 1.239 0.105 18 7 yes 1.220 1 2
1 107 ASN QD 40 no 57.1 49.4 0.352 0.713 0.361 33 10 yes 1.517 7 11
1 109 GLU QB 184 no 100.0 100.0 0.001 0.001 0.000 2 0 no 0.118 0 0
1 109 GLU QG 157 no 4.8 100.0 0.000 0.000 0.000 10 1 no 0.000 0 0
1 110 ARG QB 57 no 81.0 25.6 0.020 0.079 0.059 28 6 no 0.683 0 3
1 110 ARG QG 118 no 61.9 3.7 0.153 4.108 3.954 19 8 yes 2.571 21 21
1 111 LEU QB 62 no 57.1 16.3 0.240 1.471 1.231 28 14 no 0.272 0 0
1 111 LEU QD 10 no 95.2 93.0 2.146 2.307 0.162 45 18 no 0.887 0 5
1 113 VAL QG 6 no 71.4 21.1 0.093 0.440 0.347 51 18 no 0.948 0 16
1 114 PRO QB 69 no 76.2 29.1 0.072 0.248 0.176 27 16 yes 1.195 1 3
1 114 PRO QD 61 no 100.0 95.6 1.873 1.960 0.087 28 14 no 0.836 0 2
1 114 PRO QG 76 no 85.7 35.7 1.063 2.979 1.916 26 18 yes 2.751 18 19
1 115 HIS QB 97 no 52.4 16.6 0.345 2.081 1.736 23 10 yes 1.744 9 17
1 116 TYR QB 134 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.000 0 0
1 117 ASP QB 154 yes 90.5 94.5 0.321 0.340 0.019 11 3 no 0.437 0 0
1 118 MET QB 113 no 95.2 63.7 6.756 10.610 3.854 20 8 yes 4.563 17 25
1 118 MET QG 49 no 52.4 23.9 0.220 0.919 0.699 30 12 yes 1.547 6 14
1 119 LYS QB 99 yes 85.7 47.4 1.551 3.269 1.718 22 7 yes 2.507 12 16
1 119 LYS QE 143 no 9.5 65.7 0.076 0.115 0.039 14 11 no 0.728 0 1
1 119 LYS QG 55 no 61.9 23.9 0.089 0.375 0.285 29 15 no 0.882 0 3
1 120 ASN QB 109 no 85.7 77.9 0.690 0.886 0.196 21 11 yes 1.358 2 3
1 120 ASN QD 132 yes 95.2 98.3 1.187 1.207 0.021 17 11 no 0.633 0 1
1 121 ARG QB 120 no 42.9 55.5 0.083 0.150 0.067 18 5 no 0.527 0 2
1 121 ARG QD 125 no 81.0 7.5 0.085 1.136 1.051 18 11 yes 1.734 9 19
1 121 ARG QG 124 no 81.0 10.6 0.014 0.130 0.116 18 10 no 0.737 0 3
1 122 GLY QA 17 no 52.4 26.0 0.113 0.435 0.322 42 8 yes 1.465 2 4
1 123 PHE QB 98 yes 100.0 49.0 0.360 0.735 0.375 22 7 no 0.142 0 0
1 124 MET QB 203 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 124 MET QG 197 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 125 LEU QB 12 yes 85.7 56.5 0.557 0.987 0.430 45 25 yes 2.421 1 4
1 125 LEU QD 86 no 57.1 67.4 0.098 0.146 0.047 24 9 no 0.647 0 2
1 126 TRP QB 59 yes 90.5 75.5 4.972 6.584 1.612 28 10 yes 1.732 9 18
1 127 PRO QB 22 no 100.0 70.8 0.874 1.234 0.360 39 10 yes 1.528 3 6
1 127 PRO QD 142 no 100.0 99.0 0.064 0.065 0.001 14 11 no 0.108 0 0
1 127 PRO QG 77 no 100.0 76.3 1.741 2.282 0.540 25 10 yes 1.124 1 7
1 128 LEU QB 8 no 100.0 78.9 2.116 2.682 0.566 49 11 yes 1.864 1 14
1 128 LEU QD 186 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 129 PHE QB 43 no 100.0 68.3 3.049 4.461 1.412 31 9 yes 1.307 9 32
1 130 GLU QB 74 no 9.5 67.8 0.000 0.000 0.000 26 13 no 0.015 0 0
1 130 GLU QG 115 no 85.7 14.6 0.394 2.701 2.307 20 9 yes 3.533 10 19
1 131 ILE QG 34 no 85.7 36.6 1.598 4.360 2.763 35 6 yes 1.468 9 18
1 133 PRO QB 107 no 66.7 79.7 0.479 0.601 0.122 21 10 no 0.024 0 0
1 133 PRO QD 38 no 90.5 100.0 0.596 0.596 0.000 33 6 no 0.000 0 0
1 134 GLU QB 92 no 100.0 0.0 0.000 0.000 0.000 24 16 no 0.000 0 0
1 134 GLU QG 78 no 42.9 58.3 0.351 0.601 0.251 25 13 yes 1.406 6 9
1 135 LEU QB 53 no 28.6 99.2 0.130 0.131 0.001 30 16 no 0.079 0 0
1 135 LEU QD 15 no 57.1 29.0 1.152 3.975 2.823 43 16 yes 2.501 21 26
1 136 VAL QG 163 no 52.4 70.2 0.943 1.344 0.401 9 5 yes 1.227 1 11
1 137 PHE QB 81 no 81.0 48.3 0.374 0.774 0.401 24 4 no 0.775 0 4
1 138 PRO QB 58 no 66.7 31.2 0.537 1.719 1.182 28 9 yes 2.397 6 9
1 138 PRO QG 182 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 139 ASP QB 133 no 100.0 0.0 0.000 0.001 0.001 16 0 no 0.066 0 0
1 140 GLY QA 127 no 85.7 71.7 0.506 0.706 0.200 17 2 no 0.731 0 6
1 141 GLU QB 68 no 33.3 69.1 0.431 0.623 0.192 27 10 yes 1.657 5 6
1 141 GLU QG 11 no 33.3 12.8 0.054 0.424 0.370 45 21 yes 1.395 2 5
1 142 MET QB 35 no 100.0 75.6 5.874 7.770 1.896 35 18 yes 2.848 8 20
1 142 MET QG 42 no 100.0 91.1 0.492 0.540 0.048 32 11 no 0.361 0 0
1 143 LEU QB 159 no 66.7 93.9 1.013 1.079 0.066 10 4 no 0.202 0 0
1 144 ARG QB 39 yes 90.5 47.8 1.682 3.518 1.836 33 10 yes 2.759 12 16
1 144 ARG QD 190 no 47.6 1.5 0.000 0.017 0.017 2 2 no 0.559 0 1
1 144 ARG QG 112 no 85.7 60.8 1.297 2.133 0.836 20 8 yes 1.695 3 4
1 145 GLN QB 45 no 47.6 0.0 0.000 0.114 0.114 31 13 yes 1.106 1 2
1 145 GLN QE 52 no 61.9 58.2 2.161 3.711 1.549 30 16 yes 1.779 4 8
1 145 GLN QG 168 no 71.4 64.4 1.162 1.804 0.642 7 2 yes 1.375 16 40
1 146 ILE QG 51 no 95.2 58.9 0.402 0.683 0.281 30 14 no 0.695 0 4
1 147 LEU QB 19 yes 85.7 77.0 1.487 1.931 0.443 41 16 yes 1.988 2 4
1 147 LEU QD 1 no 42.9 3.1 0.192 6.239 6.047 61 24 yes 2.750 32 43
1 148 HIS QB 7 yes 100.0 74.1 1.188 1.603 0.415 49 11 yes 1.657 2 3
1 150 ARG QB 96 no 85.7 81.9 1.101 1.343 0.242 23 10 yes 1.484 3 3
1 150 ARG QD 70 no 81.0 99.7 0.041 0.041 0.000 27 18 no 0.439 0 0
1 150 ARG QG 66 yes 85.7 58.1 1.574 2.708 1.134 27 9 yes 1.897 8 15
1 152 PHE QB 105 no 33.3 35.2 0.422 1.199 0.777 21 4 yes 2.436 6 9
1 153 ASP QB 139 no 100.0 0.0 0.000 0.000 0.000 14 1 no 0.000 0 0
1 154 LYS QD 171 no 66.7 22.4 0.114 0.508 0.394 6 2 yes 1.723 5 5
1 154 LYS QG 82 no 52.4 24.3 0.165 0.680 0.515 24 5 no 0.533 0 1
1 155 LEU QB 141 no 71.4 72.2 0.165 0.228 0.063 14 4 no 0.019 0 0
1 156 ASN QB 63 no 66.7 25.4 0.395 1.552 1.158 28 15 yes 1.589 6 21
1 156 ASN QD 122 no 0.0 0.0 0.000 0.003 0.003 18 8 no 0.138 0 0
1 157 LYS QB 84 yes 76.2 47.1 0.105 0.223 0.118 24 6 no 0.600 0 2
1 157 LYS QE 196 no 14.3 44.5 0.102 0.230 0.128 1 0 yes 1.358 1 2
1 157 LYS QG 101 yes 76.2 24.0 0.184 0.767 0.583 22 9 yes 1.327 6 14
1 158 TRP QB 87 no 85.7 94.0 0.559 0.594 0.036 24 11 no 0.445 0 0
stop_
save_