NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470849 |
1ap7   |
cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1ap7
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 238
_Stereo_assign_list.Swap_count 28
_Stereo_assign_list.Swap_percentage 11.8
_Stereo_assign_list.Deassign_count 56
_Stereo_assign_list.Deassign_percentage 23.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 81.373
_Stereo_assign_list.Total_e_high_states 208.929
_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 SER QB 238 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 3 MET QG 225 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 4 LEU QB 216 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 4 LEU QD 205 no 30.0 38.3 0.062 0.162 0.100 4 4 yes 1.150 1 1
1 5 LEU QB 215 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 5 LEU QD 179 no 35.0 9.4 0.099 1.054 0.955 8 2 yes 1.267 15 15
1 6 GLU QB 196 no 70.0 70.6 0.039 0.055 0.016 5 1 no 0.325 0 0
1 6 GLU QG 176 no 75.0 51.6 0.060 0.117 0.056 9 8 no 0.881 0 2
1 7 GLU QG 187 no 100.0 84.5 0.001 0.001 0.000 7 6 no 0.000 0 0
1 8 VAL QG 175 no 45.0 2.9 0.026 0.899 0.873 9 5 yes 1.920 7 13
1 9 CYS QB 237 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 10 VAL QG 144 no 70.0 60.6 0.237 0.391 0.154 13 7 yes 1.325 4 8
1 11 GLY QA 156 no 45.0 75.7 0.170 0.225 0.055 12 8 no 0.009 0 0
1 12 ASP QB 183 no 45.0 0.6 0.008 1.254 1.246 7 3 yes 1.269 7 10
1 13 ARG QB 194 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 13 ARG QD 203 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 13 ARG QG 188 no 80.0 73.4 0.888 1.210 0.322 7 7 no 0.482 0 0
1 14 LEU QB 158 no 65.0 95.4 0.601 0.630 0.029 11 2 no 0.365 0 0
1 14 LEU QD 105 no 50.0 55.9 0.662 1.184 0.522 18 10 yes 1.340 10 11
1 15 SER QB 207 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 16 GLY QA 147 no 25.0 100.0 0.009 0.009 0.000 12 0 no 0.000 0 0
1 20 ARG QB 208 no 90.0 73.6 0.001 0.001 0.000 3 2 no 0.115 0 0
1 20 ARG QD 166 no 25.0 43.2 0.015 0.035 0.020 10 3 no 0.598 0 1
1 20 ARG QG 153 no 70.0 68.4 0.250 0.365 0.116 12 6 no 0.996 0 11
1 21 GLY QA 97 no 20.0 100.0 0.004 0.004 0.000 19 11 no 0.000 0 0
1 22 ASP QB 90 no 100.0 0.0 0.000 0.013 0.013 19 7 no 0.350 0 0
1 23 VAL QG 60 no 95.0 79.5 0.834 1.049 0.215 24 10 yes 2.020 1 1
1 24 GLN QB 192 no 75.0 36.1 0.343 0.951 0.608 6 3 no 0.000 0 0
1 24 GLN QG 186 no 40.0 1.3 0.004 0.270 0.267 7 6 no 0.881 0 4
1 25 GLU QB 127 no 100.0 0.0 0.000 0.000 0.000 15 6 no 0.000 0 0
1 25 GLU QG 110 no 60.0 14.2 0.110 0.776 0.666 17 6 yes 1.437 4 9
1 26 VAL QG 26 no 95.0 73.7 0.078 0.106 0.028 32 23 no 0.860 0 3
1 27 ARG QB 236 no 85.0 80.3 0.011 0.014 0.003 1 1 no 0.220 0 0
1 27 ARG QD 224 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 27 ARG QG 40 no 55.0 72.8 0.649 0.891 0.243 28 13 yes 1.426 7 19
1 28 ARG QD 161 no 100.0 100.0 0.000 0.000 0.000 11 5 no 0.089 0 0
1 28 ARG QG 125 no 70.0 19.0 0.164 0.862 0.698 16 13 no 0.571 0 1
1 29 LEU QB 123 no 55.0 13.2 0.015 0.112 0.098 16 8 no 0.699 0 3
1 29 LEU QD 51 no 75.0 96.2 7.076 7.359 0.283 26 14 yes 1.076 1 6
1 30 LEU QB 106 no 75.0 63.6 0.183 0.287 0.104 18 11 no 0.864 0 2
1 30 LEU QD 4 no 75.0 65.0 6.009 9.242 3.233 55 33 yes 2.209 15 32
1 31 HIS QB 202 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 32 ARG QB 160 no 60.0 59.0 0.032 0.054 0.022 11 4 no 0.549 0 1
1 32 ARG QD 235 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 32 ARG QG 167 no 60.0 26.8 0.015 0.055 0.040 10 5 no 0.477 0 0
1 33 GLU QB 128 no 35.0 26.7 0.003 0.011 0.008 15 7 no 0.151 0 0
1 33 GLU QG 35 no 60.0 17.0 0.255 1.496 1.241 30 19 yes 1.664 6 22
1 34 LEU QB 135 no 95.0 99.9 0.383 0.384 0.001 14 7 no 0.080 0 0
1 34 LEU QD 78 no 65.0 25.8 0.507 1.966 1.459 21 11 yes 2.196 12 14
1 35 VAL QG 174 yes 75.0 76.3 0.389 0.510 0.121 9 5 no 0.000 0 0
1 36 HIS QB 116 no 15.0 99.8 0.008 0.008 0.000 16 2 no 0.016 0 0
1 37 PRO QB 59 no 70.0 85.8 0.366 0.426 0.060 25 18 no 0.023 0 0
1 37 PRO QD 114 yes 100.0 74.2 1.366 1.841 0.475 17 14 no 0.223 0 0
1 37 PRO QG 71 no 70.0 58.4 0.296 0.507 0.211 22 17 no 0.773 0 3
1 38 ASP QB 117 no 95.0 77.9 0.002 0.003 0.001 16 4 no 0.223 0 0
1 40 LEU QB 75 no 45.0 79.6 0.296 0.372 0.076 21 10 no 0.776 0 2
1 40 LEU QD 19 no 65.0 21.0 0.276 1.312 1.036 38 18 yes 1.413 9 30
1 41 ASN QB 170 no 30.0 80.1 0.140 0.175 0.035 9 3 no 0.042 0 0
1 41 ASN QD 178 no 5.0 100.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 42 ARG QB 68 no 85.0 24.2 0.015 0.060 0.046 22 11 no 0.003 0 0
1 42 ARG QG 111 no 30.0 34.9 0.030 0.086 0.056 17 7 no 0.776 0 2
1 43 PHE QB 163 no 45.0 57.0 0.116 0.203 0.087 10 1 no 0.714 0 2
1 43 PHE QD 223 no 45.0 32.5 0.391 1.201 0.810 1 0 yes 2.827 5 5
1 44 GLY QA 132 no 70.0 41.6 0.293 0.705 0.411 15 11 no 0.000 0 0
1 45 LYS QB 129 yes 95.0 96.0 0.102 0.106 0.004 15 8 no 0.000 0 0
1 45 LYS QD 152 no 100.0 100.0 0.004 0.004 0.000 12 6 no 0.000 0 0
1 45 LYS QG 181 no 100.0 82.9 0.000 0.000 0.000 7 1 no 0.000 0 0
1 48 LEU QB 62 no 80.0 45.4 0.077 0.169 0.092 24 12 no 0.851 0 1
1 48 LEU QD 20 no 55.0 12.1 0.351 2.890 2.539 36 22 yes 2.533 18 28
1 49 GLN QB 168 no 25.0 3.4 0.031 0.910 0.878 10 6 no 0.488 0 0
1 49 GLN QE 173 no 30.0 93.7 0.279 0.298 0.019 9 4 no 0.000 0 0
1 49 GLN QG 130 no 60.0 46.6 0.040 0.086 0.046 15 10 no 0.289 0 0
1 50 VAL QG 16 no 90.0 90.1 5.459 6.061 0.602 40 19 yes 1.559 2 14
1 51 MET QB 30 no 25.0 29.5 0.044 0.148 0.104 31 15 no 0.843 0 3
1 51 MET QG 23 no 60.0 70.0 0.945 1.351 0.405 34 15 no 0.443 0 0
1 52 MET QB 85 no 75.0 78.8 0.535 0.679 0.144 20 7 no 0.723 0 1
1 52 MET QG 214 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 53 PHE QB 84 yes 100.0 100.0 0.114 0.114 0.000 20 6 no 0.000 0 0
1 53 PHE QD 234 no 75.0 100.0 0.545 0.545 0.000 1 1 no 0.000 0 0
1 53 PHE QE 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 GLY QA 190 no 25.0 59.3 0.010 0.017 0.007 6 2 no 0.371 0 0
1 55 SER QB 38 no 75.0 62.7 1.226 1.954 0.729 29 20 yes 1.388 6 15
1 56 PRO QB 141 yes 85.0 89.9 0.330 0.368 0.037 14 11 no 0.656 0 1
1 56 PRO QD 87 no 100.0 77.3 0.855 1.107 0.252 20 10 no 0.043 0 0
1 56 PRO QG 204 no 55.0 33.5 0.017 0.052 0.034 4 4 no 0.422 0 0
1 58 VAL QG 43 no 55.0 71.7 1.197 1.671 0.473 28 19 yes 1.027 2 7
1 60 LEU QB 83 yes 90.0 69.4 0.350 0.505 0.154 20 5 no 0.723 0 1
1 60 LEU QD 109 no 45.0 20.3 0.187 0.923 0.735 17 5 yes 1.558 3 16
1 61 GLU QB 191 no 100.0 0.0 0.000 0.000 0.000 6 3 no 0.000 0 0
1 61 GLU QG 58 no 55.0 52.1 0.419 0.805 0.385 25 18 no 0.860 0 6
1 62 LEU QB 138 no 35.0 83.1 0.142 0.171 0.029 14 9 yes 1.178 2 2
1 62 LEU QD 21 no 45.0 18.1 0.302 1.663 1.362 35 28 yes 1.324 11 25
1 63 LEU QB 112 no 100.0 0.0 0.000 0.000 0.000 17 10 no 0.000 0 0
1 63 LEU QD 33 no 55.0 31.8 0.284 0.894 0.610 31 23 yes 1.307 1 3
1 64 LYS QB 150 no 45.0 84.4 0.211 0.250 0.039 12 3 no 0.184 0 0
1 64 LYS QD 221 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 65 GLN QB 66 no 50.0 68.3 0.321 0.470 0.149 23 13 yes 1.041 1 1
1 65 GLN QE 195 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 65 GLN QG 28 no 90.0 36.2 0.033 0.092 0.059 32 25 no 0.864 0 3
1 66 GLY QA 162 yes 100.0 81.4 0.128 0.157 0.029 11 6 no 0.625 0 1
1 68 SER QB 233 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 69 PRO QB 47 no 45.0 64.9 0.145 0.224 0.079 27 17 yes 1.041 1 1
1 69 PRO QG 91 no 75.0 44.1 0.755 1.711 0.957 19 8 no 0.488 0 0
1 70 ASN QB 169 no 100.0 0.0 0.000 0.000 0.000 9 3 no 0.000 0 0
1 70 ASN QD 149 no 5.0 99.4 0.003 0.003 0.000 12 3 no 0.013 0 0
1 71 VAL QG 8 no 70.0 28.7 0.322 1.120 0.798 48 17 yes 1.126 3 22
1 72 GLN QB 65 yes 95.0 76.6 1.606 2.096 0.490 23 13 no 0.377 0 0
1 72 GLN QE 201 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 ASP QB 148 no 100.0 0.0 0.000 0.000 0.000 12 3 no 0.000 0 0
1 75 SER QB 164 no 90.0 78.3 0.003 0.004 0.001 10 2 no 0.249 0 0
1 76 GLY QA 63 no 70.0 75.8 0.390 0.514 0.125 24 14 no 0.377 0 0
1 78 SER QB 18 no 70.0 56.3 1.604 2.848 1.244 38 16 yes 1.623 13 30
1 79 PRO QB 54 no 75.0 35.6 0.326 0.917 0.590 26 18 no 0.155 0 0
1 79 PRO QD 220 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 79 PRO QG 211 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 80 VAL QG 53 no 55.0 19.4 0.272 1.400 1.129 26 17 yes 1.656 2 6
1 81 HIS QB 101 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.000 0 0
1 82 ASP QB 86 no 95.0 100.0 0.017 0.017 0.000 20 8 no 0.313 0 0
1 85 ARG QB 232 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 85 ARG QD 99 no 70.0 0.1 0.000 0.146 0.146 19 14 no 0.371 0 0
1 85 ARG QG 151 no 40.0 21.6 0.114 0.526 0.413 12 6 no 0.819 0 11
1 87 GLY QA 137 no 100.0 0.0 0.000 0.000 0.000 14 9 no 0.040 0 0
1 88 PHE QB 64 yes 100.0 100.0 0.597 0.597 0.000 23 7 no 0.000 0 0
1 88 PHE QD 231 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 88 PHE QE 222 yes 85.0 82.0 1.763 2.150 0.387 1 0 yes 1.839 3 3
1 89 LEU QB 143 no 100.0 100.0 0.031 0.031 0.000 13 7 no 0.422 0 0
1 89 LEU QD 1 no 55.0 9.0 0.611 6.803 6.193 66 42 yes 1.855 20 46
1 90 ASP QB 104 yes 75.0 41.9 0.260 0.620 0.361 18 9 no 0.656 0 1
1 92 LEU QB 49 no 100.0 2.1 0.031 1.518 1.487 26 11 no 0.422 0 0
1 92 LEU QD 9 yes 75.0 84.3 5.744 6.816 1.072 47 24 yes 0.677 0 12
1 93 LYS QB 61 no 55.0 37.2 0.261 0.701 0.440 24 12 no 0.439 0 0
1 93 LYS QD 206 no 45.0 8.8 0.012 0.134 0.122 3 1 no 0.933 0 3
1 93 LYS QE 11 no 70.0 12.9 0.152 1.180 1.028 45 34 no 0.692 0 1
1 93 LYS QG 24 no 45.0 35.6 0.245 0.687 0.442 33 17 yes 2.289 5 7
1 94 VAL QG 13 yes 80.0 83.1 0.769 0.925 0.156 43 17 no 0.502 0 1
1 95 LEU QB 80 no 100.0 99.5 0.890 0.894 0.004 21 12 no 0.287 0 0
1 95 LEU QD 29 no 65.0 68.3 0.635 0.929 0.294 31 13 yes 1.322 1 9
1 96 VAL QG 34 no 95.0 98.7 1.363 1.381 0.018 30 9 no 0.157 0 0
1 97 GLU QB 103 yes 95.0 67.7 0.345 0.509 0.164 18 8 no 0.692 0 1
1 97 GLU QG 145 no 55.0 66.9 0.593 0.886 0.293 13 8 yes 1.129 1 6
1 98 HIS QB 172 no 10.0 44.3 0.003 0.008 0.004 9 4 no 0.000 0 0
1 99 GLY QA 198 no 80.0 85.1 0.034 0.040 0.006 5 2 no 0.256 0 0
1 101 ASP QB 120 no 85.0 19.3 0.000 0.002 0.002 16 6 no 0.000 0 0
1 102 VAL QG 31 no 85.0 85.4 2.542 2.977 0.435 31 18 yes 1.803 3 6
1 103 ASN QB 113 no 100.0 0.0 0.000 0.000 0.000 17 12 no 0.000 0 0
1 103 ASN QD 119 no 10.0 100.0 0.020 0.020 0.000 16 6 no 0.000 0 0
1 105 LEU QB 52 no 55.0 82.0 0.167 0.203 0.036 26 17 no 0.723 0 1
1 105 LEU QD 15 no 90.0 81.1 10.592 13.052 2.461 41 24 yes 1.699 6 13
1 106 ASP QB 134 no 85.0 26.1 0.000 0.001 0.001 14 5 no 0.123 0 0
1 109 GLY QA 42 yes 95.0 51.9 0.125 0.240 0.115 28 17 no 0.924 0 3
1 110 SER QB 96 no 65.0 38.3 0.100 0.260 0.161 19 10 no 0.723 0 1
1 111 LEU QB 50 no 25.0 22.2 0.002 0.009 0.007 26 14 no 0.155 0 0
1 111 LEU QD 2 no 60.0 37.4 2.108 5.636 3.528 62 30 yes 2.574 20 43
1 112 PRO QB 136 no 100.0 69.4 0.003 0.004 0.001 14 9 no 0.220 0 0
1 112 PRO QD 27 no 80.0 6.7 0.017 0.247 0.231 32 25 no 0.220 0 0
1 112 PRO QG 48 no 70.0 34.6 0.173 0.500 0.327 27 22 no 0.723 0 4
1 113 ILE QG 55 no 15.0 36.4 0.001 0.001 0.001 25 6 no 0.123 0 0
1 114 HIS QB 56 no 25.0 0.8 0.003 0.424 0.421 25 12 no 0.203 0 0
1 115 LEU QB 69 no 40.0 29.4 0.120 0.407 0.287 22 12 yes 1.710 1 2
1 115 LEU QD 10 no 90.0 90.9 8.439 9.279 0.840 46 18 yes 1.583 7 13
1 117 ILE QG 122 no 95.0 0.7 0.000 0.033 0.033 16 7 no 0.000 0 0
1 118 ARG QB 219 no 50.0 76.8 0.419 0.546 0.126 2 2 no 0.000 0 0
1 118 ARG QD 197 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.052 0 0
1 118 ARG QG 93 no 70.0 47.0 0.372 0.792 0.420 19 9 yes 1.481 2 5
1 119 GLU QB 126 no 90.0 100.0 0.101 0.101 0.000 15 6 no 0.000 0 0
1 119 GLU QG 102 no 55.0 43.2 0.429 0.993 0.564 18 8 yes 1.424 2 6
1 120 GLY QA 25 no 90.0 21.5 0.060 0.277 0.217 32 22 no 0.185 0 0
1 121 HIS QB 44 yes 100.0 51.1 0.255 0.499 0.244 27 9 no 0.040 0 0
1 123 SER QB 218 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 124 VAL QG 140 no 85.0 90.0 2.516 2.796 0.280 14 10 yes 1.532 2 3
1 125 VAL QG 41 no 70.0 26.5 0.256 0.965 0.709 28 17 yes 2.041 5 11
1 126 SER QB 230 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 127 PHE QB 22 no 10.0 1.1 0.000 0.037 0.037 34 14 no 0.021 0 0
1 127 PHE QD 229 no 5.0 100.0 0.003 0.003 0.000 1 1 no 0.000 0 0
1 127 PHE QE 228 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 128 LEU QB 77 no 60.0 6.6 0.007 0.112 0.105 21 11 no 0.680 0 2
1 128 LEU QD 5 no 70.0 56.0 2.308 4.121 1.813 53 29 yes 2.016 12 18
1 130 PRO QB 139 no 100.0 5.0 0.001 0.021 0.020 14 10 no 0.551 0 1
1 130 PRO QD 39 no 100.0 92.1 0.081 0.088 0.007 28 13 no 0.000 0 0
1 130 PRO QG 146 yes 100.0 96.1 0.823 0.856 0.033 13 11 no 0.816 0 1
1 131 GLU QB 76 no 90.0 90.3 1.404 1.555 0.152 21 11 no 0.744 0 2
1 131 GLU QG 92 no 60.0 39.5 0.346 0.874 0.529 19 9 no 0.816 0 1
1 132 SER QB 210 no 30.0 18.6 0.013 0.070 0.057 3 3 no 0.000 0 0
1 133 ASP QB 88 no 60.0 85.4 0.513 0.600 0.088 20 13 yes 1.235 1 1
1 134 LEU QB 95 no 60.0 97.6 1.456 1.492 0.035 19 10 no 0.342 0 0
1 134 LEU QD 6 no 75.0 79.9 4.655 5.823 1.168 53 38 yes 1.639 5 13
1 135 HIS QB 180 no 35.0 77.1 0.074 0.096 0.022 8 3 no 0.547 0 1
1 136 HIS QB 155 no 5.0 100.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 137 ARG QB 94 no 70.0 69.1 0.347 0.502 0.155 19 10 no 0.000 0 0
1 137 ARG QG 89 no 80.0 68.0 1.055 1.551 0.496 19 4 no 0.085 0 0
1 138 ASP QB 159 yes 85.0 94.8 0.551 0.582 0.030 11 3 no 0.724 0 1
1 140 SER QB 108 no 50.0 3.9 0.051 1.288 1.238 17 4 yes 1.482 8 12
1 141 GLY QA 124 yes 95.0 99.3 0.645 0.649 0.005 16 11 no 0.269 0 0
1 142 LEU QB 98 no 5.0 100.0 0.000 0.000 0.000 19 12 no 0.000 0 0
1 142 LEU QD 12 no 75.0 63.9 1.872 2.930 1.058 44 23 yes 1.675 8 13
1 144 PRO QB 185 no 100.0 0.0 0.000 0.000 0.000 7 6 no 0.000 0 0
1 144 PRO QD 14 no 50.0 1.8 0.003 0.156 0.153 42 23 yes 1.216 1 2
1 144 PRO QG 115 yes 90.0 99.1 0.438 0.441 0.004 17 15 no 0.009 0 0
1 145 LEU QB 67 no 40.0 18.2 0.037 0.205 0.168 22 8 no 0.935 0 3
1 145 LEU QD 32 no 80.0 61.9 2.343 3.782 1.440 31 20 yes 1.999 11 20
1 146 GLU QB 227 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 146 GLU QG 171 no 100.0 13.1 0.009 0.066 0.057 9 4 no 0.416 0 0
1 147 LEU QB 36 yes 100.0 94.6 2.013 2.129 0.116 29 15 no 0.268 0 0
1 147 LEU QD 3 no 70.0 55.6 2.579 4.642 2.062 60 40 yes 2.137 11 37
1 149 ARG QB 107 no 60.0 67.8 0.040 0.058 0.019 17 4 no 0.645 0 2
1 149 ARG QG 157 no 20.0 100.0 0.006 0.006 0.000 11 1 no 0.000 0 0
1 150 GLN QB 79 yes 75.0 31.3 0.247 0.791 0.544 21 12 yes 1.557 2 5
1 150 GLN QE 200 yes 90.0 57.2 0.211 0.369 0.158 5 5 no 0.131 0 0
1 150 GLN QG 57 no 70.0 50.2 1.268 2.526 1.259 25 18 yes 1.022 1 11
1 151 ARG QB 121 yes 80.0 89.0 0.507 0.569 0.063 16 7 no 0.620 0 3
1 151 ARG QD 46 no 35.0 16.6 0.198 1.187 0.990 27 15 no 0.099 0 0
1 151 ARG QG 131 no 40.0 26.5 0.007 0.025 0.018 15 11 no 0.334 0 0
1 152 GLY QA 70 no 90.0 77.7 3.007 3.868 0.861 22 15 yes 1.248 1 1
1 154 GLN QB 199 no 25.0 40.2 0.050 0.125 0.075 5 4 no 0.000 0 0
1 154 GLN QE 182 no 15.0 96.2 0.135 0.140 0.005 7 3 no 0.060 0 0
1 155 ASN QB 177 no 10.0 81.0 0.069 0.085 0.016 8 2 no 0.568 0 1
1 155 ASN QD 226 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 156 LEU QB 45 no 30.0 0.9 0.002 0.231 0.229 27 15 no 0.028 0 0
1 156 LEU QD 7 no 70.0 53.9 6.305 11.705 5.400 52 35 yes 1.961 24 46
1 157 MET QB 133 yes 75.0 40.0 0.487 1.217 0.729 14 5 no 0.309 0 0
1 157 MET QG 209 no 90.0 17.9 0.013 0.074 0.061 3 3 no 0.000 0 0
1 158 ASP QB 142 no 100.0 52.0 0.029 0.055 0.026 13 5 no 0.764 0 2
1 159 ILE QG 73 yes 85.0 69.3 0.168 0.243 0.074 21 7 no 0.383 0 0
1 160 LEU QB 82 yes 75.0 86.2 0.211 0.244 0.034 21 13 no 0.623 0 1
1 160 LEU QD 17 no 75.0 57.0 2.374 4.162 1.789 39 21 yes 1.690 8 16
1 161 GLN QB 165 no 80.0 39.5 0.075 0.191 0.116 10 3 no 0.935 0 4
1 161 GLN QE 184 no 100.0 0.0 0.000 0.000 0.000 7 5 no 0.000 0 0
1 161 GLN QG 81 no 45.0 6.2 0.023 0.373 0.350 21 13 no 0.881 0 8
1 162 GLY QA 154 no 95.0 87.1 0.047 0.054 0.007 12 7 no 0.549 0 2
1 163 HIS QB 118 yes 100.0 83.6 0.197 0.236 0.039 16 6 no 0.547 0 1
1 164 MET QB 74 no 65.0 45.5 0.282 0.620 0.338 21 9 no 0.551 0 1
1 164 MET QG 37 no 35.0 74.3 0.494 0.665 0.171 29 20 no 0.764 0 3
1 165 MET QB 217 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 166 ILE QG 100 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.000 0 0
1 167 PRO QB 189 no 55.0 77.7 0.074 0.095 0.021 6 2 no 0.551 0 1
1 167 PRO QD 72 no 70.0 99.2 0.367 0.370 0.003 21 7 no 0.203 0 0
1 167 PRO QG 193 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 168 MET QB 213 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
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