NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
604187 |
2n8z   |
25871 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2n8z
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 217
_Stereo_assign_list.Swap_count 5
_Stereo_assign_list.Swap_percentage 2.3
_Stereo_assign_list.Deassign_count 9
_Stereo_assign_list.Deassign_percentage 4.1
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 168.237
_Stereo_assign_list.Total_e_high_states 2131.926
_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 4 ILE QG 128 no 75.0 93.6 0.329 0.352 0.022 7 1 no 0.350 0 0
1 5 SER QB 211 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.091 0 0
1 6 GLN QB 150 no 15.0 61.5 0.010 0.016 0.006 5 2 no 0.310 0 0
1 6 GLN QE 215 no 100.0 0.0 0.000 0.006 0.006 2 2 no 0.310 0 0
1 7 GLU QG 136 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.144 0 0
1 8 GLN QB 34 no 100.0 100.0 3.654 3.654 0.000 17 7 no 0.037 0 0
1 8 GLN QE 30 no 100.0 99.6 4.926 4.945 0.018 18 7 no 0.214 0 0
1 8 GLN QG 84 no 100.0 99.7 1.313 1.317 0.004 10 1 no 0.087 0 0
1 9 MET QB 146 no 100.0 99.9 3.034 3.036 0.002 5 0 no 0.076 0 0
1 9 MET QG 52 no 100.0 99.5 1.274 1.281 0.007 13 2 no 0.139 0 0
1 10 ASN QB 63 no 100.0 99.6 0.826 0.829 0.003 12 2 no 0.083 0 0
1 10 ASN QD 35 no 100.0 99.8 1.430 1.433 0.003 17 8 no 0.074 0 0
1 11 GLU QB 144 no 100.0 100.0 0.611 0.611 0.000 6 4 no 0.028 0 0
1 11 GLU QG 50 no 100.0 99.9 2.214 2.218 0.003 14 6 no 0.074 0 0
1 12 PHE QB 89 no 100.0 100.0 5.349 5.349 0.000 10 3 no 0.057 0 0
1 12 PHE QD 46 no 100.0 100.0 75.516 75.520 0.004 15 6 no 0.095 0 0
1 12 PHE QE 80 no 100.0 100.0 55.930 55.932 0.002 11 4 no 0.118 0 0
1 13 ARG QB 132 no 100.0 100.0 3.593 3.593 0.000 7 3 no 0.000 0 0
1 13 ARG QD 117 no 100.0 100.0 3.781 3.782 0.001 8 2 no 0.102 0 0
1 13 ARG QG 141 no 100.0 100.0 1.874 1.874 0.000 6 3 no 0.000 0 0
1 16 PHE QB 65 no 100.0 100.0 1.375 1.375 0.000 12 3 no 0.003 0 0
1 16 PHE QD 93 no 100.0 100.0 36.634 36.635 0.000 10 4 no 0.046 0 0
1 16 PHE QE 186 no 100.0 100.0 9.954 9.954 0.000 3 0 no 0.000 0 0
1 17 ASN QB 83 no 100.0 100.0 4.701 4.701 0.000 10 1 no 0.043 0 0
1 17 ASN QD 73 no 100.0 100.0 5.025 5.027 0.001 11 1 no 0.061 0 0
1 18 HIS QB 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 19 PHE QB 97 no 100.0 96.7 4.172 4.314 0.141 10 5 no 0.006 0 0
1 19 PHE QD 106 no 100.0 99.5 35.070 35.264 0.194 9 5 no 0.000 0 0
1 19 PHE QE 213 no 100.0 100.0 2.631 2.631 0.000 2 1 no 0.043 0 0
1 20 ASP QB 18 no 100.0 99.9 3.384 3.386 0.002 20 5 no 0.085 0 0
1 21 ARG QB 185 no 100.0 100.0 2.045 2.045 0.000 3 0 no 0.033 0 0
1 21 ARG QD 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 ASP QB 112 no 100.0 100.0 1.706 1.706 0.000 8 0 no 0.000 0 0
1 25 GLY QA 138 no 100.0 100.0 2.191 2.191 0.000 6 1 no 0.036 0 0
1 27 LEU QB 67 no 100.0 98.1 0.550 0.561 0.011 12 4 no 0.027 0 0
1 27 LEU QD 4 no 100.0 76.9 20.702 26.935 6.232 32 16 no 0.208 0 0
1 28 GLY QA 189 no 100.0 100.0 1.017 1.017 0.000 3 1 no 0.041 0 0
1 29 PRO QB 129 no 100.0 100.0 0.496 0.496 0.000 7 2 no 0.000 0 0
1 29 PRO QD 171 no 100.0 100.0 1.709 1.709 0.000 4 1 no 0.047 0 0
1 29 PRO QG 149 no 100.0 100.0 0.930 0.930 0.000 5 2 no 0.000 0 0
1 30 GLU QB 184 no 80.0 100.0 0.003 0.003 0.000 3 0 no 0.000 0 0
1 30 GLU QG 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 GLU QB 38 yes 100.0 35.2 2.064 5.866 3.802 16 7 yes 0.742 0 47
1 31 GLU QG 177 no 100.0 0.0 0.000 0.002 0.002 4 2 no 0.100 0 0
1 32 PHE QB 66 no 100.0 100.0 4.939 4.940 0.001 12 4 no 0.065 0 0
1 32 PHE QD 41 yes 100.0 100.0 83.114 83.119 0.005 16 8 no 0.091 0 0
1 32 PHE QE 170 yes 100.0 100.0 25.149 25.149 0.000 4 1 no 0.000 0 0
1 33 LYS QB 45 no 100.0 99.9 1.091 1.092 0.001 15 5 no 0.101 0 0
1 33 LYS QD 131 no 80.0 96.8 1.758 1.816 0.058 7 3 no 0.654 0 2
1 33 LYS QE 98 no 100.0 100.0 1.418 1.419 0.000 10 7 no 0.056 0 0
1 33 LYS QG 47 no 100.0 100.0 1.101 1.102 0.000 14 1 no 0.027 0 0
1 35 CYS QB 44 no 100.0 99.9 1.678 1.680 0.001 15 5 no 0.052 0 0
1 36 LEU QB 51 no 100.0 100.0 0.099 0.099 0.000 14 10 no 0.364 0 0
1 36 LEU QD 2 no 100.0 99.7 12.041 12.082 0.040 33 16 no 0.230 0 0
1 37 ILE QG 42 no 100.0 100.0 7.006 7.006 0.000 15 2 no 0.022 0 0
1 38 SER QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 LEU QB 105 no 100.0 100.0 0.804 0.804 0.000 9 5 no 0.000 0 0
1 39 LEU QD 11 no 100.0 100.0 13.107 13.111 0.004 22 7 no 0.071 0 0
1 40 GLY QA 151 no 100.0 100.0 0.081 0.081 0.000 5 3 no 0.000 0 0
1 41 TYR QB 10 no 100.0 100.0 8.566 8.567 0.001 23 14 no 0.077 0 0
1 41 TYR QD 24 no 100.0 99.9 95.231 95.290 0.059 20 10 no 0.364 0 0
1 41 TYR QE 53 no 100.0 100.0 53.965 53.966 0.001 13 5 no 0.098 0 0
1 42 ASP QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.010 0 0
1 43 ILE QG 16 no 100.0 100.0 7.873 7.873 0.001 21 9 no 0.062 0 0
1 44 GLY QA 216 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 46 ASP QB 140 no 100.0 0.0 0.000 0.003 0.003 6 2 no 0.171 0 0
1 47 PRO QB 188 no 100.0 99.9 0.751 0.752 0.001 3 1 no 0.061 0 0
1 47 PRO QD 107 no 100.0 99.9 2.838 2.840 0.002 9 6 no 0.100 0 0
1 47 PRO QG 178 no 100.0 100.0 2.624 2.624 0.000 4 3 no 0.024 0 0
1 48 GLN QB 163 no 100.0 100.0 1.081 1.081 0.000 4 0 no 0.000 0 0
1 48 GLN QE 69 no 100.0 99.8 0.955 0.957 0.002 12 6 no 0.081 0 0
1 48 GLN QG 116 no 100.0 100.0 2.082 2.082 0.000 8 2 no 0.016 0 0
1 49 GLY QA 99 no 100.0 100.0 5.656 5.656 0.000 9 1 no 0.024 0 0
1 50 GLU QB 176 no 100.0 100.0 2.546 2.546 0.001 4 2 no 0.050 0 0
1 50 GLU QG 125 no 95.0 97.6 0.206 0.211 0.005 7 0 no 0.144 0 0
1 52 GLU QB 148 no 100.0 99.8 1.709 1.713 0.004 5 2 no 0.100 0 0
1 52 GLU QG 43 no 100.0 100.0 3.880 3.880 0.000 15 3 no 0.013 0 0
1 53 PHE QB 20 no 100.0 100.0 8.351 8.353 0.002 20 8 no 0.062 0 0
1 53 PHE QD 29 no 100.0 100.0 43.296 43.302 0.007 18 7 no 0.152 0 0
1 53 PHE QE 214 no 100.0 100.0 0.017 0.017 0.000 2 2 no 0.000 0 0
1 55 ARG QB 183 no 75.0 98.7 0.048 0.049 0.001 3 0 no 0.056 0 0
1 55 ARG QD 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.038 0 0
1 55 ARG QG 135 no 70.0 68.3 0.764 1.118 0.354 6 0 yes 1.337 3 7
1 56 ILE QG 147 no 100.0 100.0 4.261 4.261 0.000 5 1 no 0.028 0 0
1 57 MET QB 119 no 100.0 100.0 2.573 2.574 0.001 8 3 no 0.060 0 0
1 57 MET QG 62 no 100.0 99.9 5.858 5.862 0.004 12 2 no 0.122 0 0
1 59 ILE QG 182 no 100.0 100.0 3.182 3.182 0.000 3 0 no 0.000 0 0
1 60 VAL QG 1 no 100.0 60.4 28.849 47.732 18.883 33 12 no 0.117 0 0
1 61 ASP QB 32 no 100.0 99.8 4.082 4.091 0.009 17 4 no 0.149 0 0
1 62 PRO QB 205 no 100.0 100.0 0.268 0.268 0.000 2 0 no 0.011 0 0
1 62 PRO QD 111 no 100.0 100.0 0.995 0.995 0.000 8 0 no 0.000 0 0
1 62 PRO QG 187 no 100.0 100.0 0.979 0.979 0.000 3 1 no 0.000 0 0
1 63 ASN QB 56 no 100.0 99.9 2.247 2.250 0.003 13 6 no 0.104 0 0
1 63 ASN QD 59 no 100.0 100.0 0.973 0.973 0.000 13 7 no 0.088 0 0
1 64 ARG QB 212 no 100.0 99.9 2.128 2.130 0.001 2 1 no 0.087 0 0
1 64 ARG QG 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 LEU QB 55 no 100.0 99.9 4.064 4.066 0.002 13 6 no 0.102 0 0
1 65 LEU QD 14 no 95.0 97.0 1.428 1.472 0.044 22 11 no 0.651 0 2
1 66 GLY QA 181 no 100.0 100.0 0.014 0.014 0.000 3 0 no 0.000 0 0
1 67 VAL QG 110 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 68 VAL QG 3 no 100.0 89.6 33.507 37.398 3.891 32 12 no 0.034 0 0
1 70 PHE QB 79 no 100.0 100.0 1.194 1.194 0.000 11 4 no 0.000 0 0
1 70 PHE QD 23 no 100.0 100.0 75.748 75.750 0.002 20 9 no 0.114 0 0
1 70 PHE QE 58 no 100.0 100.0 50.184 50.185 0.000 13 7 no 0.061 0 0
1 71 GLN QB 82 no 100.0 100.0 3.554 3.554 0.000 11 6 no 0.070 0 0
1 71 GLN QE 9 no 100.0 99.9 5.551 5.557 0.006 23 10 no 0.126 0 0
1 71 GLN QG 100 no 100.0 100.0 4.451 4.452 0.002 9 2 no 0.126 0 0
1 73 PHE QB 76 no 100.0 100.0 5.589 5.591 0.001 11 2 no 0.111 0 0
1 73 PHE QD 88 no 100.0 97.3 49.227 50.591 1.364 10 3 no 0.158 0 0
1 73 PHE QE 169 no 100.0 100.0 22.151 22.155 0.004 4 1 no 0.137 0 0
1 74 ILE QG 92 no 100.0 100.0 2.243 2.244 0.001 10 4 no 0.049 0 0
1 75 ASP QB 77 no 100.0 99.8 0.476 0.476 0.001 11 3 no 0.065 0 0
1 76 PHE QB 61 no 100.0 100.0 3.646 3.648 0.002 12 2 no 0.085 0 0
1 76 PHE QD 19 no 100.0 100.0 69.308 69.311 0.003 20 6 no 0.083 0 0
1 76 PHE QE 122 no 100.0 100.0 28.325 28.325 0.000 8 4 no 0.022 0 0
1 77 MET QB 72 no 100.0 100.0 7.642 7.644 0.003 11 1 no 0.076 0 0
1 77 MET QG 102 no 100.0 99.9 3.665 3.669 0.004 9 3 no 0.083 0 0
1 78 SER QB 168 no 100.0 100.0 1.002 1.002 0.000 4 1 no 0.014 0 0
1 79 ARG QD 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 ARG QG 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 GLU QG 175 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.018 0 0
1 83 ASP QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.044 0 0
1 88 ASP QB 145 no 5.0 93.4 0.025 0.026 0.002 5 0 no 0.121 0 0
1 89 GLN QB 96 no 100.0 99.6 0.123 0.124 0.000 10 5 no 0.074 0 0
1 89 GLN QE 95 no 100.0 97.2 2.007 2.064 0.057 10 5 no 0.470 0 0
1 89 GLN QG 86 no 100.0 99.9 2.974 2.979 0.004 10 2 no 0.149 0 0
1 90 VAL QG 40 no 80.0 0.0 0.000 17.909 17.909 16 8 no 0.122 0 0
1 91 MET QB 81 no 100.0 99.9 5.330 5.334 0.004 11 5 no 0.109 0 0
1 91 MET QG 87 no 100.0 100.0 3.860 3.861 0.000 10 3 no 0.046 0 0
1 93 SER QB 201 no 0.0 0.0 0.000 0.006 0.006 2 0 no 0.193 0 0
1 94 PHE QB 25 no 100.0 99.9 3.044 3.046 0.002 19 7 no 0.069 0 0
1 94 PHE QD 27 no 100.0 100.0 69.951 69.951 0.000 18 6 no 0.054 0 0
1 94 PHE QE 39 no 100.0 100.0 40.631 40.633 0.001 16 8 no 0.092 0 0
1 95 LYS QB 115 no 100.0 100.0 3.147 3.147 0.000 8 2 no 0.038 0 0
1 95 LYS QG 137 no 100.0 99.8 0.246 0.246 0.000 6 1 no 0.070 0 0
1 96 ILE QG 109 no 100.0 100.0 0.974 0.974 0.000 8 0 no 0.000 0 0
1 97 LEU QB 75 no 100.0 98.3 1.469 1.494 0.025 11 2 no 0.214 0 0
1 97 LEU QD 7 no 100.0 99.9 16.363 16.371 0.008 25 13 no 0.201 0 0
1 99 GLY QA 167 no 100.0 99.7 0.681 0.684 0.002 4 1 no 0.150 0 0
1 101 LYS QB 104 no 100.0 100.0 0.364 0.364 0.000 9 5 no 0.000 0 0
1 101 LYS QD 190 no 100.0 100.0 0.275 0.275 0.000 3 2 no 0.000 0 0
1 101 LYS QE 54 no 100.0 99.9 2.515 2.516 0.002 13 6 no 0.080 0 0
1 101 LYS QG 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 102 ASN QB 133 no 45.0 1.9 0.164 8.695 8.532 7 4 no 0.105 0 0
1 102 ASN QD 124 no 5.0 0.0 0.000 4.492 4.492 8 6 no 0.105 0 0
1 103 TYR QB 28 no 100.0 68.6 2.535 3.694 1.159 18 7 yes 0.874 0 23
1 103 TYR QD 6 no 100.0 99.7 95.103 95.374 0.271 27 12 yes 1.023 1 7
1 103 TYR QE 33 no 100.0 100.0 73.808 73.814 0.006 17 7 no 0.112 0 0
1 104 ILE QG 114 no 95.0 100.0 0.527 0.527 0.000 8 2 no 0.036 0 0
1 106 MET QB 101 no 100.0 99.6 0.208 0.209 0.001 9 3 no 0.071 0 0
1 106 MET QG 37 no 100.0 100.0 1.269 1.269 0.000 16 5 no 0.015 0 0
1 108 GLU QB 64 no 100.0 100.0 4.046 4.046 0.000 12 3 no 0.022 0 0
1 108 GLU QG 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 109 LEU QB 91 no 100.0 100.0 0.176 0.176 0.000 10 4 no 0.000 0 0
1 109 LEU QD 12 no 100.0 100.0 11.880 11.881 0.001 22 9 no 0.092 0 0
1 110 ARG QD 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 110 ARG QG 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 111 ARG QB 180 no 100.0 100.0 1.718 1.718 0.000 3 0 no 0.003 0 0
1 111 ARG QD 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 GLU QB 118 no 100.0 99.9 0.846 0.847 0.001 8 3 no 0.096 0 0
1 112 GLU QG 113 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.069 0 0
1 113 LEU QB 60 no 100.0 99.6 0.224 0.225 0.001 13 8 no 0.059 0 0
1 113 LEU QD 13 no 100.0 99.9 9.189 9.196 0.007 22 11 no 0.143 0 0
1 115 PRO QB 179 no 100.0 100.0 1.859 1.859 0.000 3 0 no 0.009 0 0
1 115 PRO QD 153 no 100.0 100.0 3.783 3.783 0.000 5 4 no 0.070 0 0
1 115 PRO QG 166 no 100.0 100.0 4.066 4.066 0.000 4 1 no 0.006 0 0
1 116 ASP QB 68 no 100.0 100.0 2.306 2.306 0.000 12 5 no 0.025 0 0
1 117 GLN QB 103 no 100.0 100.0 0.710 0.710 0.000 9 5 no 0.000 0 0
1 117 GLN QE 57 no 100.0 99.3 3.955 3.982 0.026 13 7 no 0.319 0 0
1 117 GLN QG 123 no 100.0 99.9 0.633 0.633 0.001 8 5 no 0.059 0 0
1 119 GLU QB 48 no 100.0 100.0 5.335 5.335 0.001 14 4 no 0.045 0 0
1 119 GLU QG 158 no 0.0 0.0 0.000 0.001 0.001 4 0 no 0.110 0 0
1 120 TYR QB 78 no 100.0 100.0 4.755 4.755 0.000 11 4 no 0.023 0 0
1 120 TYR QD 130 no 100.0 100.0 32.092 32.092 0.000 7 3 no 0.051 0 0
1 120 TYR QE 152 no 100.0 100.0 22.627 22.629 0.001 5 4 no 0.067 0 0
1 121 CYS QB 15 no 100.0 100.0 9.055 9.057 0.002 21 5 no 0.071 0 0
1 122 ILE QG 108 no 100.0 100.0 3.610 3.610 0.000 8 0 no 0.024 0 0
1 124 ARG QB 157 no 100.0 100.0 1.110 1.110 0.000 4 0 no 0.019 0 0
1 124 ARG QD 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.056 0 0
1 124 ARG QG 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.037 0 0
1 125 MET QB 165 no 100.0 100.0 0.408 0.408 0.000 4 1 no 0.000 0 0
1 125 MET QG 22 no 100.0 100.0 2.444 2.444 0.000 20 9 no 0.060 0 0
1 127 PRO QB 174 no 100.0 100.0 0.116 0.116 0.000 4 2 no 0.000 0 0
1 127 PRO QD 127 no 100.0 65.4 5.396 8.255 2.859 7 1 no 0.134 0 0
1 128 TYR QD 31 no 70.0 57.0 26.591 46.629 20.038 18 10 yes 4.070 127 140
1 128 TYR QE 26 no 70.0 58.8 36.158 61.537 25.378 19 11 yes 4.067 161 219
1 130 GLY QA 134 no 55.0 74.8 0.121 0.161 0.041 7 5 no 0.000 0 0
1 131 PRO QB 217 no 100.0 100.0 0.211 0.211 0.000 1 1 no 0.000 0 0
1 131 PRO QG 143 no 100.0 81.3 3.815 4.694 0.879 6 4 no 0.028 0 0
1 132 ASP QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 133 SER QB 90 no 70.0 10.3 1.992 19.323 17.331 10 4 no 0.070 0 0
1 134 VAL QG 21 no 100.0 69.1 19.704 28.533 8.829 20 9 yes 2.708 28 28
1 135 PRO QD 121 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.000 0 0
1 136 GLY QA 198 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.071 0 0
1 138 LEU QB 94 no 100.0 99.9 1.231 1.232 0.001 10 5 no 0.038 0 0
1 138 LEU QD 5 no 100.0 99.8 19.499 19.546 0.047 29 16 no 0.364 0 0
1 139 ASP QB 74 no 100.0 17.2 1.459 8.468 7.009 11 2 no 0.000 0 0
1 140 TYR QB 71 no 100.0 98.8 0.089 0.090 0.001 11 1 no 0.051 0 0
1 140 TYR QD 8 no 100.0 100.0 110.402 110.404 0.002 23 7 no 0.084 0 0
1 140 TYR QE 17 no 100.0 100.0 70.577 70.584 0.007 20 5 no 0.153 0 0
1 141 MET QB 173 no 100.0 100.0 5.265 5.265 0.000 4 2 no 0.040 0 0
1 141 MET QG 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 142 SER QB 70 no 100.0 97.6 0.106 0.108 0.003 11 0 no 0.080 0 0
1 143 PHE QB 36 no 100.0 99.3 1.328 1.337 0.009 16 3 no 0.151 0 0
1 143 PHE QD 49 yes 100.0 99.9 37.747 37.772 0.025 14 5 no 0.351 0 0
1 143 PHE QE 172 yes 100.0 100.0 13.285 13.285 0.000 4 2 no 0.065 0 0
1 144 SER QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 LEU QB 142 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.033 0 0
1 147 LEU QD 120 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 148 TYR QB 139 no 100.0 85.8 1.544 1.800 0.256 6 2 no 0.006 0 0
1 148 TYR QD 85 no 70.0 59.1 8.356 14.150 5.794 10 2 yes 3.603 18 29
1 148 TYR QE 126 no 70.0 58.8 17.062 28.999 11.937 7 1 yes 4.074 19 24
1 150 GLU QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 150 GLU QG 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 152 ASP QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 153 LEU QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.018 0 0
1 153 LEU QD 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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