NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406943 |
1xwe   |
6001 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1xwe
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 187
_Stereo_assign_list.Swap_count 24
_Stereo_assign_list.Swap_percentage 12.8
_Stereo_assign_list.Deassign_count 43
_Stereo_assign_list.Deassign_percentage 23.0
_Stereo_assign_list.Model_count 40
_Stereo_assign_list.Total_e_low_states 42.491
_Stereo_assign_list.Total_e_high_states 117.221
_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 ASP QB 139 no 55.0 25.0 0.381 1.522 1.141 8 2 yes 1.817 22 22
1 7 CYS QB 124 no 25.0 44.8 0.031 0.068 0.038 10 5 no 0.285 0 0
1 8 GLY QA 142 no 70.0 57.4 0.348 0.606 0.258 7 0 no 0.856 0 13
1 9 GLN QB 133 no 50.0 78.4 0.151 0.192 0.041 9 5 no 0.970 0 2
1 9 GLN QE 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 MET QB 103 no 77.5 65.0 0.091 0.140 0.049 13 6 no 0.774 0 6
1 11 GLN QB 90 no 100.0 96.9 0.005 0.005 0.000 15 6 no 0.217 0 0
1 11 GLN QE 154 no 100.0 100.0 0.023 0.023 0.000 6 4 no 0.845 0 1
1 11 GLN QG 45 no 67.5 51.1 0.177 0.346 0.169 22 15 no 0.804 0 3
1 12 GLU QB 120 yes 100.0 69.1 0.139 0.201 0.062 10 4 no 0.259 0 0
1 12 GLU QG 148 no 62.5 78.4 0.236 0.301 0.065 7 4 yes 0.887 0 22
1 13 GLU QG 87 no 20.0 16.4 0.007 0.042 0.035 16 10 no 0.614 0 3
1 14 LEU QB 110 no 100.0 61.1 0.000 0.000 0.000 12 7 no 0.058 0 0
1 14 LEU QD 9 no 87.5 89.7 7.513 8.378 0.864 35 18 yes 2.028 8 23
1 15 ASP QB 78 no 40.0 9.1 0.045 0.488 0.443 17 8 no 0.603 0 8
1 16 LEU QB 131 no 100.0 89.4 0.111 0.124 0.013 9 4 no 0.000 0 0
1 16 LEU QD 50 no 92.5 91.3 3.088 3.382 0.294 21 13 yes 1.632 3 5
1 18 ILE QG 99 yes 95.0 98.4 0.357 0.363 0.006 14 5 no 0.392 0 0
1 19 SER QB 117 no 77.5 62.1 0.047 0.075 0.028 10 1 no 0.490 0 0
1 21 GLU QB 152 no 92.5 95.5 1.542 1.614 0.072 6 3 no 0.855 0 3
1 23 ARG QG 43 no 52.5 47.2 0.133 0.282 0.149 22 4 yes 1.012 1 9
1 24 LYS QB 62 yes 100.0 92.1 0.387 0.421 0.033 19 9 no 0.940 0 1
1 24 LYS QD 134 no 45.0 41.5 0.041 0.098 0.057 9 6 no 0.698 0 3
1 24 LYS QE 28 no 62.5 23.9 0.163 0.683 0.519 25 15 yes 1.325 4 13
1 24 LYS QG 34 no 77.5 88.5 0.008 0.010 0.001 24 17 no 0.333 0 0
1 25 GLN QB 132 no 2.5 1.2 0.000 0.003 0.002 9 5 no 0.315 0 0
1 25 GLN QE 147 no 92.5 96.1 0.488 0.508 0.020 7 4 no 0.871 0 1
1 25 GLN QG 108 no 92.5 85.6 0.077 0.089 0.013 12 6 no 0.934 0 5
1 28 CYS QB 85 yes 95.0 63.5 0.249 0.392 0.143 16 7 no 0.622 0 1
1 29 LYS QB 105 yes 90.0 95.5 0.167 0.175 0.008 13 7 no 0.315 0 0
1 29 LYS QG 84 no 60.0 59.4 0.048 0.080 0.032 16 7 no 0.318 0 0
1 30 PRO QB 96 no 100.0 11.5 0.000 0.001 0.001 15 10 no 0.172 0 0
1 30 PRO QD 127 no 30.0 98.5 0.022 0.023 0.000 10 6 no 0.081 0 0
1 30 PRO QG 145 no 100.0 48.1 0.000 0.000 0.000 7 3 no 0.128 0 0
1 31 GLU QB 111 no 45.0 5.2 0.078 1.498 1.420 12 10 no 0.940 0 1
1 32 ILE QG 38 no 75.0 44.7 0.118 0.263 0.146 23 8 no 0.881 0 9
1 34 TYR QB 130 no 100.0 0.5 0.000 0.001 0.001 9 4 no 0.093 0 0
1 34 TYR QD 70 yes 97.5 95.8 5.668 5.918 0.250 18 9 yes 2.976 1 2
1 34 TYR QE 71 yes 97.5 85.3 1.577 1.848 0.271 18 10 yes 3.268 1 1
1 36 TYR QB 53 no 90.0 24.6 0.132 0.538 0.406 20 7 no 0.287 0 0
1 36 TYR QD 187 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 37 LYS QB 17 no 95.0 84.1 0.160 0.191 0.030 28 19 no 0.438 0 0
1 37 LYS QD 42 no 37.5 27.1 0.110 0.407 0.297 23 21 yes 1.561 6 11
1 37 LYS QE 81 no 77.5 6.1 0.006 0.105 0.098 17 17 no 0.438 0 0
1 37 LYS QG 186 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 38 VAL QG 1 no 92.5 94.4 11.099 11.758 0.659 54 23 yes 2.294 9 10
1 39 SER QB 29 no 17.5 35.0 0.021 0.059 0.039 24 12 no 0.647 0 6
1 40 ILE QG 21 no 100.0 100.0 0.014 0.014 0.000 27 16 no 0.679 0 1
1 43 ILE QG 48 yes 95.0 60.2 0.150 0.250 0.100 21 8 no 0.223 0 0
1 46 GLU QB 156 no 65.0 26.4 0.050 0.189 0.139 5 0 yes 1.712 3 4
1 47 ASN QD 128 no 87.5 82.5 0.023 0.027 0.005 9 1 no 0.424 0 0
1 48 VAL QG 144 no 15.0 41.6 0.001 0.003 0.002 7 1 no 0.247 0 0
1 49 PHE QB 58 no 35.0 76.9 0.340 0.443 0.102 20 11 no 0.496 0 0
1 50 VAL QG 6 yes 75.0 60.9 3.822 6.280 2.458 41 11 yes 2.414 29 49
1 51 LYS QB 63 no 100.0 22.4 0.004 0.019 0.015 19 10 no 0.395 0 0
1 51 LYS QD 165 no 7.5 56.4 0.000 0.000 0.000 2 1 no 0.029 0 0
1 51 LYS QE 109 no 100.0 0.0 0.000 0.000 0.000 12 7 no 0.032 0 0
1 51 LYS QG 20 no 67.5 22.3 0.110 0.495 0.385 27 16 yes 1.045 1 14
1 52 TYR QB 52 no 52.5 99.9 0.045 0.045 0.000 20 6 no 0.023 0 0
1 53 LYS QB 101 no 97.5 6.9 0.000 0.002 0.001 13 1 no 0.150 0 0
1 53 LYS QD 143 yes 97.5 99.3 0.144 0.145 0.001 7 1 no 0.198 0 0
1 56 LEU QB 13 no 72.5 9.3 0.202 2.174 1.972 30 17 yes 1.077 1 12
1 56 LEU QD 160 no 82.5 91.2 0.038 0.042 0.004 3 0 no 0.855 0 3
1 57 LEU QB 136 yes 97.5 94.9 0.199 0.210 0.011 9 8 no 0.000 0 0
1 57 LEU QD 10 no 55.0 15.1 0.559 3.694 3.135 34 15 yes 2.253 52 71
1 58 ASP QB 185 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 59 ILE QG 18 no 100.0 100.0 0.000 0.000 0.000 27 12 no 0.041 0 0
1 60 TYR QB 24 yes 95.0 98.5 0.542 0.551 0.008 25 8 no 0.550 0 1
1 60 TYR QD 184 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 61 LYS QB 26 no 97.5 29.1 0.001 0.004 0.003 25 11 no 0.318 0 0
1 61 LYS QD 60 no 65.0 71.2 0.326 0.458 0.132 20 13 no 0.881 0 8
1 63 GLY QA 97 yes 100.0 99.2 4.756 4.796 0.041 14 0 no 0.322 0 0
1 64 GLU QB 129 no 95.0 94.2 0.094 0.100 0.006 9 4 no 0.324 0 0
1 64 GLU QG 77 no 92.5 93.2 0.793 0.851 0.058 17 8 no 0.923 0 4
1 66 VAL QG 75 no 37.5 34.2 0.310 0.908 0.598 17 7 yes 1.985 7 14
1 68 GLU QB 86 no 82.5 34.3 0.081 0.238 0.156 16 8 yes 0.757 0 25
1 69 LYS QD 183 no 22.5 0.8 0.000 0.013 0.013 1 1 no 0.000 0 0
1 69 LYS QG 107 no 67.5 10.4 0.024 0.232 0.208 12 4 no 0.201 0 0
1 70 ASP QB 98 no 67.5 25.1 0.306 1.219 0.913 14 4 yes 1.491 27 27
1 71 SER QB 106 no 32.5 52.7 0.083 0.158 0.075 12 4 no 0.182 0 0
1 72 GLU QG 68 no 15.0 69.8 0.005 0.007 0.002 18 5 no 0.172 0 0
1 73 ILE QG 46 no 97.5 82.3 0.020 0.025 0.004 22 16 no 0.253 0 0
1 75 PHE QB 19 yes 95.0 92.2 0.203 0.220 0.017 27 16 no 0.722 0 1
1 75 PHE QD 172 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 75 PHE QE 182 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 76 ILE QG 39 no 87.5 30.4 0.052 0.170 0.118 23 12 no 0.623 0 4
1 77 LYS QE 40 no 65.0 27.3 0.019 0.069 0.050 23 17 no 0.760 0 4
1 77 LYS QG 74 no 55.0 14.3 0.196 1.367 1.171 18 14 no 0.712 0 6
1 78 LYS QD 181 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 78 LYS QG 64 no 82.5 42.3 0.095 0.223 0.129 19 12 no 0.712 0 7
1 79 VAL QG 141 yes 100.0 100.0 0.575 0.576 0.000 8 4 no 0.031 0 0
1 81 CYS QB 32 yes 77.5 84.5 2.000 2.367 0.367 24 15 yes 1.469 3 14
1 83 ASN QB 57 yes 82.5 76.6 0.197 0.257 0.060 20 11 no 0.970 0 3
1 83 ASN QD 126 no 67.5 63.1 0.533 0.845 0.312 10 6 yes 1.226 2 5
1 85 GLU QB 123 no 17.5 93.3 0.041 0.044 0.003 10 5 no 0.320 0 0
1 85 GLU QG 140 yes 80.0 53.6 0.281 0.524 0.243 8 4 no 0.918 0 5
1 86 LEU QB 27 no 100.0 100.0 0.010 0.010 0.000 25 14 no 0.000 0 0
1 86 LEU QD 7 no 87.5 84.7 0.653 0.771 0.118 39 15 yes 1.357 2 3
1 87 VAL QG 15 no 72.5 54.3 1.082 1.995 0.913 29 19 yes 1.707 11 75
1 88 LYS QB 47 no 90.0 41.6 0.014 0.033 0.019 21 8 no 0.395 0 0
1 88 LYS QD 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 LYS QE 180 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 88 LYS QG 179 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 89 GLY QA 151 no 7.5 100.0 0.011 0.011 0.000 6 1 no 0.014 0 0
1 90 ARG QB 35 no 30.0 7.5 0.008 0.110 0.101 24 18 no 0.720 0 2
1 90 ARG QD 14 no 72.5 57.1 0.660 1.155 0.495 30 26 yes 1.505 7 18
1 90 ARG QG 65 no 37.5 29.8 0.139 0.467 0.328 19 14 yes 1.089 3 14
1 91 GLN QB 23 no 85.0 95.5 0.095 0.099 0.004 27 20 no 0.195 0 0
1 91 GLN QE 92 yes 100.0 100.0 0.695 0.695 0.000 15 8 no 0.041 0 0
1 91 GLN QG 16 no 100.0 22.5 0.040 0.176 0.136 28 18 no 0.841 0 2
1 92 TYR QB 11 no 17.5 24.3 0.006 0.025 0.019 31 16 no 0.679 0 1
1 92 TYR QE 153 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 93 LEU QB 33 no 82.5 55.1 0.090 0.164 0.074 24 16 yes 1.252 1 8
1 93 LEU QD 2 yes 75.0 85.9 4.511 5.253 0.742 47 27 yes 1.883 9 25
1 94 ILE QG 30 no 55.0 46.9 0.118 0.251 0.133 24 14 yes 1.194 3 4
1 95 MET QB 178 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 95 MET QG 61 no 57.5 25.7 0.046 0.178 0.132 19 9 yes 1.368 1 2
1 96 GLY QA 51 no 57.5 60.1 0.072 0.120 0.048 20 3 no 0.047 0 0
1 97 LYS QD 162 no 25.0 6.8 0.015 0.213 0.199 2 0 yes 1.529 3 5
1 97 LYS QG 171 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 98 GLU QB 95 no 42.5 16.6 0.024 0.145 0.121 15 9 no 0.803 0 8
1 98 GLU QG 79 yes 95.0 60.6 0.104 0.172 0.068 17 10 no 0.718 0 3
1 100 LEU QB 54 no 72.5 80.1 0.347 0.433 0.086 20 9 yes 1.488 8 15
1 100 LEU QD 80 no 32.5 88.6 0.102 0.115 0.013 17 14 no 0.436 0 0
1 101 GLN QB 158 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.047 0 0
1 101 GLN QE 155 no 32.5 7.4 0.004 0.049 0.046 6 6 no 0.042 0 0
1 101 GLN QG 59 no 22.5 0.3 0.001 0.266 0.266 20 13 no 0.255 0 0
1 102 ILE QG 138 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 103 LYS QB 113 no 100.0 0.0 0.000 0.000 0.000 11 6 no 0.000 0 0
1 105 ASN QB 119 no 40.0 76.4 0.124 0.162 0.038 10 4 yes 1.001 1 2
1 105 ASN QD 159 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 108 PHE QB 177 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 108 PHE QD 170 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 109 ARG QB 135 no 20.0 10.2 0.009 0.088 0.079 9 8 no 0.886 0 6
1 109 ARG QD 146 no 15.0 86.8 0.003 0.004 0.001 7 4 no 0.061 0 0
1 110 TYR QB 37 no 67.5 86.3 0.217 0.251 0.034 23 8 yes 1.255 6 8
1 110 TYR QD 169 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 111 ILE QG 122 yes 87.5 70.5 0.382 0.541 0.159 10 5 yes 1.718 2 5
1 112 TYR QB 31 no 50.0 93.5 0.014 0.015 0.001 24 15 no 0.130 0 0
1 112 TYR QD 168 no 100.0 73.9 0.000 0.000 0.000 1 0 no 0.010 0 0
1 113 PRO QB 116 no 97.5 52.9 0.006 0.012 0.006 11 9 no 0.339 0 0
1 113 PRO QD 56 no 90.0 53.2 0.016 0.031 0.014 20 11 no 0.654 0 1
1 113 PRO QG 41 no 50.0 14.7 0.087 0.591 0.504 23 21 no 0.339 0 0
1 114 LEU QB 72 no 95.0 1.8 0.000 0.015 0.015 18 12 no 0.623 0 1
1 114 LEU QD 5 no 55.0 18.4 0.608 3.299 2.691 43 25 yes 2.252 41 55
1 115 ASP QB 137 no 100.0 0.0 0.000 0.001 0.001 8 1 no 0.095 0 0
1 116 SER QB 118 no 82.5 48.3 0.507 1.051 0.544 10 2 yes 1.742 8 8
1 117 LEU QD 4 no 60.0 53.6 2.610 4.875 2.264 45 34 yes 2.603 20 53
1 119 TRP QB 176 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 120 ILE QG 66 no 2.5 29.9 0.000 0.002 0.001 19 16 no 0.000 0 0
1 121 GLU QB 73 yes 92.5 31.8 0.112 0.352 0.240 18 13 no 0.797 0 1
1 121 GLU QG 115 no 35.0 73.6 0.049 0.067 0.018 11 7 no 0.423 0 0
1 122 TYR QB 112 no 17.5 25.5 0.041 0.160 0.119 11 3 no 0.614 0 3
1 122 TYR QD 166 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 122 TYR QE 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 123 TRP QB 49 yes 100.0 96.9 0.343 0.354 0.011 21 13 no 0.054 0 0
1 124 PRO QB 175 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 124 PRO QD 22 no 97.5 0.0 0.000 0.799 0.799 27 18 no 0.054 0 0
1 124 PRO QG 12 no 50.0 49.7 0.100 0.201 0.101 31 20 no 0.613 0 2
1 125 ARG QB 94 no 95.0 28.6 0.001 0.003 0.002 15 9 no 0.195 0 0
1 125 ARG QG 93 no 15.0 50.4 0.019 0.037 0.018 15 9 no 0.535 0 1
1 132 CYS QB 157 no 47.5 38.2 0.025 0.066 0.041 5 1 no 0.658 0 3
1 133 GLN QB 174 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 133 GLN QE 104 no 30.0 26.4 0.029 0.112 0.082 13 7 yes 1.376 1 2
1 133 GLN QG 89 no 30.0 31.0 0.091 0.294 0.203 15 6 yes 1.001 1 3
1 135 PHE QB 55 no 100.0 0.0 0.000 0.552 0.551 20 10 no 0.343 0 0
1 135 PHE QD 173 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 136 LEU QB 25 no 87.5 38.0 0.008 0.020 0.012 25 10 no 0.372 0 0
1 136 LEU QD 3 no 65.0 47.2 2.553 5.412 2.860 46 24 yes 2.481 42 94
1 138 ASN QB 76 no 70.0 60.8 0.328 0.539 0.212 17 8 no 0.921 0 4
1 138 ASN QD 100 no 25.0 59.7 0.159 0.267 0.108 14 8 no 0.174 0 0
1 139 LEU QB 82 no 47.5 96.8 0.102 0.106 0.003 16 6 no 0.000 0 0
1 139 LEU QD 8 no 62.5 26.0 1.169 4.492 3.323 36 17 yes 2.315 35 70
1 140 ASP QB 150 no 45.0 75.1 0.087 0.116 0.029 6 1 no 0.691 0 1
1 141 GLU QB 88 no 47.5 23.2 0.115 0.496 0.381 15 4 yes 1.387 5 17
1 141 GLU QG 125 no 80.0 18.8 0.010 0.052 0.042 10 6 no 0.461 0 0
1 142 PHE QB 44 no 100.0 0.0 0.000 0.000 0.000 22 6 no 0.021 0 0
1 144 GLU QG 83 no 70.0 44.2 0.701 1.584 0.883 16 7 yes 1.767 13 26
1 145 ASP QB 102 no 100.0 98.1 0.090 0.091 0.002 13 6 no 0.637 0 7
1 147 PHE QB 67 no 100.0 0.0 0.000 0.002 0.002 18 5 no 0.254 0 0
1 147 PHE QE 167 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 148 LEU QB 36 no 20.0 44.1 0.009 0.021 0.012 23 6 no 0.288 0 0
1 148 LEU QD 121 no 72.5 59.8 0.994 1.662 0.668 10 5 yes 1.324 10 20
1 149 ASN QB 91 no 2.5 0.2 0.000 0.093 0.093 15 7 no 0.281 0 0
1 149 ASN QD 69 no 100.0 98.0 1.788 1.825 0.036 18 8 no 0.207 0 0
1 150 GLY QA 149 no 100.0 99.3 0.079 0.079 0.001 6 1 no 0.843 0 5
1 151 CYS QB 114 no 17.5 34.3 0.017 0.048 0.032 11 7 no 0.622 0 1
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