NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595922 |
2n6d   |
25760 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2n6d
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 218
_Stereo_assign_list.Swap_count 47
_Stereo_assign_list.Swap_percentage 21.6
_Stereo_assign_list.Deassign_count 71
_Stereo_assign_list.Deassign_percentage 32.6
_Stereo_assign_list.Model_count 19
_Stereo_assign_list.Total_e_low_states 122.818
_Stereo_assign_list.Total_e_high_states 409.481
_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 LYS QB 80 yes 100.0 99.7 1.426 1.431 0.004 8 4 no 0.108 0 0
1 2 LYS QE 100 no 26.3 30.7 0.088 0.287 0.199 7 4 no 0.327 0 0
1 3 VAL QG 40 no 78.9 71.6 2.256 3.151 0.895 10 2 yes 2.050 6 9
1 4 PRO QB 218 yes 100.0 99.9 0.904 0.904 0.000 1 1 no 0.065 0 0
1 5 MET QB 214 no 57.9 99.2 0.073 0.074 0.001 1 0 no 0.077 0 0
1 6 LEU QB 97 no 31.6 41.7 0.191 0.458 0.267 7 3 yes 1.328 2 5
1 6 LEU QD 3 no 73.7 60.8 4.072 6.698 2.626 20 8 yes 2.590 33 64
1 7 VAL QG 56 no 73.7 13.1 0.060 0.456 0.396 9 3 yes 1.182 1 3
1 8 LEU QB 93 no 68.4 57.8 0.253 0.438 0.185 7 2 no 0.796 0 5
1 8 LEU QD 213 no 52.6 4.9 0.061 1.241 1.181 1 0 yes 2.103 6 6
1 9 ASP QB 39 yes 94.7 84.0 0.756 0.900 0.144 10 2 yes 1.216 1 2
1 10 PRO QB 153 yes 100.0 99.5 1.633 1.642 0.009 4 0 no 0.109 0 0
1 10 PRO QG 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 LEU QB 59 yes 84.2 71.6 1.289 1.800 0.511 9 5 yes 1.447 2 8
1 12 LEU QD 55 no 68.4 25.9 0.318 1.225 0.907 9 3 no 0.926 0 10
1 13 PRO QD 15 yes 89.5 30.6 0.733 2.392 1.659 16 9 yes 1.524 6 9
1 15 ASN QB 114 no 42.1 76.4 0.067 0.087 0.021 6 1 no 0.337 0 0
1 15 ASN QD 182 yes 78.9 62.7 0.167 0.266 0.099 3 1 no 0.927 0 3
1 16 ILE QG 96 yes 89.5 97.1 0.184 0.190 0.005 7 3 no 0.080 0 0
1 18 LEU QB 120 no 100.0 99.1 0.327 0.331 0.003 6 2 no 0.079 0 0
1 18 LEU QD 33 no 73.7 77.2 1.538 1.993 0.455 11 3 yes 1.851 14 29
1 19 LYS QB 132 no 100.0 99.8 0.630 0.632 0.001 5 0 no 0.089 0 0
1 19 LYS QG 197 no 47.4 61.1 0.113 0.185 0.072 2 0 no 0.724 0 2
1 21 LEU QB 54 no 68.4 37.3 0.963 2.579 1.616 9 3 no 0.627 0 4
1 21 LEU QD 24 no 94.7 87.1 4.195 4.817 0.622 14 6 yes 1.518 2 3
1 22 PRO QG 158 no 100.0 99.9 1.760 1.762 0.002 4 1 no 0.073 0 0
1 24 LEU QB 113 no 100.0 99.7 0.332 0.333 0.001 6 1 no 0.073 0 0
1 24 LEU QD 181 no 73.7 55.6 1.382 2.486 1.105 3 1 yes 2.120 5 10
1 25 TYR QB 23 no 52.6 1.8 0.015 0.831 0.817 14 6 yes 1.327 5 17
1 26 PRO QB 196 no 100.0 99.9 0.295 0.295 0.000 2 0 no 0.061 0 0
1 26 PRO QD 64 no 89.5 99.6 0.132 0.133 0.000 8 0 no 0.055 0 0
1 26 PRO QG 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 SER QB 212 no 94.7 83.1 0.000 0.000 0.000 1 0 no 0.059 0 0
1 28 PHE QB 35 yes 100.0 98.8 0.492 0.498 0.006 11 7 no 0.000 0 0
1 29 HIS QB 68 no 100.0 99.7 0.263 0.264 0.001 8 1 no 0.085 0 0
1 30 SER QB 176 no 42.1 36.7 0.293 0.800 0.506 3 0 yes 1.805 7 8
1 33 ASP QB 25 yes 100.0 99.8 2.564 2.570 0.006 13 4 no 0.092 0 0
1 34 ILE QG 27 yes 100.0 99.5 0.421 0.423 0.002 12 3 no 0.076 0 0
1 35 PHE QB 82 yes 89.5 65.7 0.639 0.973 0.334 8 5 no 0.376 0 0
1 36 ASN QB 123 no 78.9 56.0 0.019 0.034 0.015 6 3 no 0.454 0 0
1 36 ASN QD 142 no 100.0 93.7 0.087 0.093 0.006 5 2 no 0.432 0 0
1 37 VAL QG 21 no 100.0 97.0 4.501 4.639 0.138 14 2 no 0.454 0 0
1 39 LYS QB 73 no 100.0 99.3 1.376 1.385 0.009 8 2 no 0.075 0 0
1 39 LYS QD 62 no 57.9 36.7 0.557 1.517 0.960 9 6 yes 1.474 8 13
1 39 LYS QE 184 no 78.9 52.5 0.068 0.130 0.062 3 3 no 0.561 0 1
1 39 LYS QG 81 yes 100.0 97.6 0.343 0.351 0.008 8 5 no 0.246 0 0
1 40 PRO QB 203 no 68.4 42.7 0.391 0.916 0.524 2 1 no 0.464 0 0
1 40 PRO QD 63 no 100.0 94.9 0.551 0.581 0.029 9 7 no 0.083 0 0
1 40 PRO QG 161 no 94.7 99.8 0.630 0.632 0.001 4 2 no 0.071 0 0
1 42 ASN QB 119 yes 100.0 72.8 1.418 1.947 0.529 6 2 no 0.094 0 0
1 42 ASN QD 112 yes 100.0 78.9 0.314 0.398 0.084 6 1 no 0.226 0 0
1 43 PRO QB 175 no 100.0 99.3 0.413 0.416 0.003 3 0 no 0.107 0 0
1 43 PRO QD 107 no 100.0 99.9 0.844 0.845 0.001 6 0 no 0.073 0 0
1 43 PRO QG 211 yes 100.0 100.0 0.205 0.205 0.000 1 0 no 0.000 0 0
1 46 ASN QD 86 yes 94.7 98.8 0.910 0.921 0.011 7 0 no 0.374 0 0
1 47 VAL QG 4 no 94.7 97.0 11.169 11.519 0.351 19 6 yes 1.332 1 6
1 48 SER QB 51 no 57.9 64.7 0.720 1.113 0.393 9 2 yes 1.467 11 11
1 49 VAL QG 30 yes 89.5 92.3 7.459 8.083 0.624 11 0 yes 1.561 5 11
1 50 VAL QG 2 no 100.0 95.2 10.663 11.198 0.535 21 2 no 0.092 0 0
1 51 VAL QG 5 no 100.0 99.9 7.787 7.794 0.007 18 6 no 0.122 0 0
1 52 PHE QB 43 no 68.4 74.1 0.587 0.792 0.205 10 3 yes 1.249 2 3
1 53 ASP QB 194 no 47.4 55.0 0.062 0.113 0.051 2 0 no 0.762 0 3
1 54 SER QB 152 no 52.6 26.4 0.381 1.445 1.063 4 0 yes 1.396 9 16
1 56 LYS QB 174 no 78.9 96.5 0.201 0.208 0.007 3 0 no 0.347 0 0
1 56 LYS QG 210 no 21.1 85.3 0.003 0.004 0.001 1 0 no 0.079 0 0
1 57 ASP QB 67 yes 94.7 83.1 0.853 1.027 0.174 8 1 no 0.082 0 0
1 58 VAL QG 13 yes 100.0 88.5 7.038 7.955 0.917 16 6 no 0.289 0 0
1 59 GLU QB 106 no 78.9 64.5 1.933 2.998 1.066 6 0 yes 1.873 7 8
1 59 GLU QG 38 no 84.2 96.8 0.943 0.975 0.031 10 2 no 0.349 0 0
1 62 HIS QB 29 yes 100.0 98.6 2.026 2.054 0.029 12 4 no 0.086 0 0
1 63 SER QB 105 no 52.6 51.2 0.059 0.115 0.056 6 0 no 0.891 0 2
1 64 GLY QA 180 no 100.0 75.2 4.227 5.618 1.391 3 1 no 0.084 0 0
1 65 LEU QB 202 no 100.0 99.5 0.694 0.698 0.004 2 1 no 0.000 0 0
1 65 LEU QD 79 no 42.1 5.7 0.273 4.792 4.519 8 4 yes 2.270 24 29
1 66 LEU QB 179 no 73.7 65.7 0.114 0.174 0.060 3 1 no 0.516 0 1
1 66 LEU QD 66 no 68.4 59.7 0.619 1.038 0.418 8 1 yes 1.310 8 22
1 69 ASN QB 141 no 84.2 65.8 0.073 0.111 0.038 5 2 no 0.695 0 1
1 69 ASN QD 205 no 84.2 100.0 0.012 0.012 0.000 2 2 no 0.000 0 0
1 70 SER QB 201 no 73.7 78.4 0.626 0.799 0.172 2 1 yes 1.554 8 12
1 71 ARG QB 173 no 42.1 79.0 0.010 0.012 0.003 3 0 no 0.102 0 0
1 71 ARG QG 172 no 84.2 80.5 0.599 0.744 0.145 3 0 no 0.986 0 3
1 72 GLN QE 11 no 78.9 64.0 4.493 7.025 2.532 16 3 yes 2.514 11 12
1 74 VAL QG 46 yes 84.2 68.4 2.779 4.063 1.284 9 0 yes 2.178 6 12
1 75 TRP QB 48 no 100.0 99.6 0.471 0.473 0.002 9 1 no 0.083 0 0
1 76 ARG QB 138 no 68.4 96.9 0.425 0.439 0.014 5 1 no 0.058 0 0
1 76 ARG QG 131 no 63.2 40.7 0.023 0.056 0.033 5 0 no 0.453 0 0
1 77 GLY QA 57 yes 100.0 80.8 2.380 2.944 0.564 9 4 no 0.116 0 0
1 78 TYR QB 44 no 84.2 71.9 0.821 1.142 0.321 10 5 no 0.449 0 0
1 79 LEU QB 45 yes 100.0 99.7 1.312 1.316 0.004 9 0 no 0.087 0 0
1 79 LEU QD 32 no 100.0 75.3 5.049 6.706 1.657 11 3 no 0.116 0 0
1 82 ASP QB 72 no 47.4 0.5 0.056 10.544 10.487 8 2 no 0.382 0 0
1 83 LYS QB 85 no 94.7 95.9 0.008 0.008 0.000 7 0 no 0.323 0 0
1 83 LYS QD 200 no 73.7 44.0 1.287 2.923 1.636 2 1 yes 1.204 10 13
1 83 LYS QG 50 yes 94.7 16.8 0.207 1.230 1.023 9 2 no 0.089 0 0
1 84 GLU QB 111 no 94.7 90.9 0.087 0.096 0.009 6 1 no 0.391 0 0
1 84 GLU QG 53 yes 100.0 31.2 1.760 5.635 3.875 9 3 no 0.087 0 0
1 85 VAL QG 99 yes 100.0 99.9 17.528 17.543 0.015 7 4 no 0.382 0 0
1 86 PRO QB 193 no 89.5 97.8 0.096 0.098 0.002 2 0 no 0.074 0 0
1 88 LEU QB 26 no 57.9 6.7 0.106 1.593 1.487 12 3 yes 1.684 9 29
1 88 LEU QD 9 no 52.6 51.4 3.516 6.840 3.323 17 4 yes 3.137 16 27
1 89 VAL QG 90 no 84.2 58.7 0.332 0.565 0.233 7 1 no 0.101 0 0
1 90 LEU QB 130 no 100.0 99.2 0.070 0.070 0.001 5 0 no 0.594 0 2
1 91 MET QB 192 no 10.5 95.2 0.006 0.006 0.000 2 0 no 0.055 0 0
1 92 GLN QB 137 no 52.6 11.1 0.062 0.560 0.498 5 1 yes 1.050 3 9
1 92 GLN QE 98 no 73.7 80.8 0.665 0.823 0.158 7 4 yes 1.239 1 2
1 93 ASP QB 37 no 52.6 70.5 0.432 0.612 0.180 10 1 yes 1.211 3 15
1 94 LEU QB 42 no 84.2 14.1 0.565 4.010 3.445 10 3 no 0.089 0 0
1 94 LEU QD 110 no 52.6 54.4 0.587 1.079 0.492 6 1 yes 1.339 4 9
1 96 PHE QB 20 no 100.0 76.9 3.020 3.927 0.906 15 6 yes 1.627 8 10
1 97 LEU QB 49 yes 100.0 99.9 1.156 1.157 0.001 9 2 no 0.095 0 0
1 97 LEU QD 95 no 63.2 68.9 2.046 2.969 0.923 7 3 yes 1.922 2 6
1 98 SER QB 92 no 89.5 66.3 1.341 2.022 0.681 7 2 yes 1.546 2 3
1 99 GLY QA 160 no 100.0 84.2 1.875 2.226 0.351 4 2 no 0.000 0 0
1 100 PHE QB 61 no 100.0 91.7 1.864 2.033 0.169 9 6 no 0.076 0 0
1 101 PRO QD 14 no 63.2 77.5 2.922 3.769 0.847 16 8 yes 1.929 3 14
1 101 PRO QG 199 no 42.1 53.2 1.000 1.878 0.878 2 1 no 0.000 0 0
1 102 PRO QG 191 no 100.0 99.9 1.319 1.319 0.001 2 0 no 0.088 0 0
1 104 PHE QB 109 yes 94.7 92.5 1.005 1.086 0.082 6 1 yes 1.237 1 1
1 104 PHE QE 140 no 84.2 84.2 8.249 9.799 1.550 5 2 yes 2.533 7 9
1 105 LYS QB 151 no 94.7 90.0 0.048 0.054 0.005 4 0 no 0.140 0 0
1 105 LYS QG 171 no 89.5 58.4 0.050 0.086 0.036 3 0 no 0.765 0 1
1 106 GLU QB 89 no 63.2 11.1 0.163 1.477 1.313 7 1 no 0.770 0 6
1 108 ASN QB 41 no 100.0 99.0 1.035 1.045 0.011 10 3 no 0.154 0 0
1 108 ASN QD 178 no 100.0 100.0 0.004 0.004 0.000 3 1 no 0.154 0 0
1 109 GLN QB 65 no 84.2 82.9 2.236 2.697 0.461 8 1 yes 1.398 3 8
1 109 GLN QE 146 yes 78.9 80.0 0.532 0.664 0.133 5 3 yes 1.488 1 1
1 109 GLN QG 147 no 68.4 81.1 1.457 1.797 0.340 5 4 yes 1.201 2 4
1 110 LEU QB 58 no 100.0 90.2 5.174 5.735 0.561 9 5 yes 1.368 5 9
1 110 LEU QD 19 no 57.9 36.1 1.628 4.514 2.886 15 6 yes 2.422 10 16
1 111 LYS QB 118 no 100.0 99.7 2.357 2.365 0.008 6 2 no 0.098 0 0
1 111 LYS QG 170 no 57.9 68.6 0.116 0.169 0.053 3 0 no 0.612 0 7
1 113 LYS QB 36 yes 100.0 99.7 0.962 0.964 0.003 10 0 no 0.099 0 0
1 113 LYS QG 104 no 68.4 80.4 0.790 0.983 0.193 6 0 yes 1.506 7 16
1 114 LEU QB 60 no 94.7 86.3 0.912 1.057 0.145 9 6 yes 1.343 1 4
1 114 LEU QD 145 yes 84.2 74.7 2.422 3.240 0.819 5 3 yes 1.332 1 5
1 115 PRO QB 144 yes 100.0 69.3 1.016 1.466 0.451 5 3 no 0.080 0 0
1 115 PRO QD 34 no 63.2 9.4 0.321 3.409 3.088 11 7 yes 1.865 6 14
1 115 PRO QG 139 yes 100.0 96.9 2.374 2.450 0.076 5 2 no 0.075 0 0
1 116 GLU QB 150 no 63.2 21.9 0.001 0.004 0.003 4 0 no 0.090 0 0
1 116 GLU QG 209 no 100.0 99.2 0.020 0.020 0.000 1 0 no 0.607 0 1
1 117 ASN QD 78 no 78.9 78.6 2.039 2.593 0.554 8 4 yes 1.662 2 4
1 118 LEU QB 101 yes 78.9 70.1 0.142 0.203 0.061 7 5 no 0.563 0 1
1 118 LEU QD 143 no 100.0 99.9 4.625 4.629 0.004 5 3 no 0.115 0 0
1 119 SER QB 77 yes 89.5 90.0 1.893 2.102 0.209 8 4 yes 2.317 1 1
1 120 SER QB 169 no 94.7 95.5 0.083 0.087 0.004 3 0 no 0.257 0 0
1 121 LYS QB 108 no 63.2 85.5 0.831 0.973 0.142 6 1 no 0.934 0 3
1 121 LYS QG 208 no 63.2 51.6 0.204 0.397 0.192 1 0 yes 0.997 0 12
1 122 VAL QG 10 no 100.0 98.7 9.053 9.177 0.124 16 2 no 0.934 0 4
1 123 LYS QB 129 no 73.7 63.2 0.078 0.123 0.045 5 0 no 0.649 0 3
1 124 LEU QB 157 no 100.0 99.7 1.739 1.744 0.005 4 1 no 0.085 0 0
1 124 LEU QD 8 no 68.4 49.7 2.478 4.987 2.509 17 3 yes 2.228 35 50
1 125 LEU QB 190 no 89.5 89.7 0.021 0.023 0.002 2 0 no 0.224 0 0
1 125 LEU QD 7 no 63.2 80.1 2.405 3.003 0.598 18 8 yes 1.955 23 43
1 126 GLN QB 117 no 68.4 69.9 0.748 1.070 0.322 6 2 yes 1.605 4 15
1 126 GLN QE 162 yes 100.0 64.5 0.313 0.485 0.172 4 4 no 0.000 0 0
1 127 LEU QB 76 no 36.8 72.6 0.738 1.017 0.279 8 3 no 0.422 0 0
1 127 LEU QD 18 no 57.9 41.8 2.943 7.045 4.102 15 4 yes 2.653 43 60
1 128 TYR QB 71 no 63.2 18.2 0.151 0.831 0.680 8 2 yes 1.397 6 8
1 130 GLU QB 177 yes 94.7 96.9 0.209 0.215 0.007 3 1 no 0.243 0 0
1 130 GLU QG 88 no 42.1 60.5 0.109 0.179 0.071 7 1 no 0.096 0 0
1 132 SER QB 128 no 36.8 93.1 0.003 0.003 0.000 5 0 no 0.055 0 0
1 133 VAL QG 22 no 52.6 40.8 2.215 5.423 3.208 14 6 yes 2.085 19 33
1 135 LEU QB 156 no 47.4 96.9 0.039 0.041 0.001 4 1 no 0.077 0 0
1 135 LEU QD 16 no 63.2 44.1 4.348 9.868 5.520 15 3 yes 2.699 51 66
1 136 LEU QB 103 no 31.6 55.6 0.103 0.185 0.082 6 0 no 0.765 0 3
1 137 LYS QB 124 yes 89.5 70.0 0.163 0.233 0.070 6 5 no 0.337 0 0
1 137 LYS QE 217 no 15.8 41.3 0.004 0.010 0.006 1 1 no 0.337 0 0
1 138 LEU QB 84 yes 100.0 99.0 0.717 0.725 0.007 7 0 no 0.085 0 0
1 138 LEU QD 12 no 100.0 96.9 6.351 6.553 0.202 16 5 no 0.927 0 7
1 139 ASN QB 75 no 68.4 63.3 0.119 0.188 0.069 8 3 no 0.607 0 1
1 139 ASN QD 74 no 100.0 98.7 0.964 0.977 0.013 8 3 no 0.271 0 0
1 140 ASN QB 155 no 94.7 98.1 0.098 0.100 0.002 4 1 no 0.598 0 2
1 140 ASN QD 159 no 68.4 85.8 0.365 0.425 0.060 4 2 yes 1.054 1 6
1 141 PRO QB 216 no 100.0 100.0 0.003 0.003 0.000 1 1 no 0.239 0 0
1 141 PRO QD 127 no 100.0 100.0 0.093 0.093 0.000 5 0 no 0.536 0 2
1 141 PRO QG 207 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 142 LYS QB 126 no 68.4 94.1 0.102 0.108 0.006 5 0 no 0.121 0 0
1 142 LYS QG 136 yes 89.5 74.0 0.674 0.911 0.237 5 1 yes 1.283 2 4
1 143 ASP QB 122 no 68.4 64.9 1.193 1.839 0.646 6 3 yes 2.529 9 23
1 144 PHE QB 52 yes 100.0 99.3 0.654 0.658 0.005 9 3 no 0.075 0 0
1 145 GLN QB 102 no 100.0 53.0 0.009 0.018 0.008 6 0 no 0.148 0 0
1 146 GLU QB 135 no 63.2 56.9 1.322 2.324 1.002 5 1 no 0.969 0 9
1 146 GLU QG 183 no 42.1 0.1 0.001 1.106 1.105 3 2 no 0.336 0 0
1 147 LEU QB 91 no 84.2 92.4 1.884 2.039 0.155 7 2 no 0.731 0 5
1 147 LEU QD 94 no 52.6 7.0 0.231 3.311 3.080 7 3 yes 1.948 18 29
1 148 ASN QB 87 no 100.0 53.6 1.938 3.615 1.677 7 1 yes 2.050 10 10
1 148 ASN QD 70 yes 100.0 90.3 4.817 5.332 0.515 8 2 yes 1.998 3 9
1 149 LYS QB 189 yes 94.7 99.3 0.215 0.217 0.002 2 0 no 0.070 0 0
1 149 LYS QD 206 no 52.6 31.9 0.123 0.385 0.262 1 0 yes 1.143 1 5
1 149 LYS QG 188 no 78.9 38.3 0.008 0.020 0.013 2 0 no 0.323 0 0
1 150 GLN QB 168 no 68.4 17.3 0.021 0.122 0.101 3 0 no 0.815 0 4
1 150 GLN QE 167 no 94.7 99.9 0.596 0.597 0.001 3 0 no 0.083 0 0
1 152 LYS QB 166 no 78.9 82.4 0.544 0.660 0.116 3 0 no 0.835 0 4
1 153 LYS QG 187 no 47.4 47.4 0.093 0.196 0.103 2 0 no 0.808 0 4
1 154 ASN QB 69 no 73.7 46.4 0.078 0.169 0.090 8 2 no 0.579 0 5
1 154 ASN QD 204 no 100.0 99.7 0.153 0.153 0.000 2 2 no 0.060 0 0
1 155 MET QB 154 no 78.9 44.1 0.178 0.403 0.226 4 1 no 0.585 0 5
1 155 MET QG 116 no 21.1 30.0 0.022 0.072 0.050 6 2 no 0.323 0 0
1 157 ILE QG 165 no 100.0 100.0 0.046 0.046 0.000 3 0 no 0.230 0 0
1 158 ASP QB 149 no 100.0 100.0 0.001 0.001 0.000 4 0 no 0.085 0 0
1 159 GLY QA 186 no 52.6 96.5 0.060 0.062 0.002 2 0 no 0.093 0 0
1 160 LYS QB 134 no 94.7 83.4 0.275 0.329 0.055 5 1 no 0.669 0 2
1 160 LYS QG 215 no 26.3 85.0 0.199 0.234 0.035 1 1 no 0.617 0 1
1 161 GLU QB 148 no 73.7 61.0 0.275 0.451 0.176 4 0 no 0.874 0 5
1 161 GLU QG 83 no 31.6 33.3 0.104 0.312 0.208 7 0 no 0.820 0 9
1 162 LEU QB 115 no 63.2 8.4 0.003 0.042 0.038 6 2 no 0.349 0 0
1 162 LEU QD 6 no 52.6 8.1 0.506 6.277 5.771 18 8 yes 2.218 22 54
1 164 ILE QG 31 no 100.0 94.0 4.298 4.572 0.274 11 1 yes 2.160 1 1
1 165 SER QB 28 yes 84.2 91.1 1.667 1.828 0.162 12 4 no 0.952 0 3
1 166 PRO QB 164 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 166 PRO QD 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 166 PRO QG 163 no 100.0 95.6 0.096 0.101 0.004 3 0 no 0.438 0 0
1 169 LEU QB 121 no 78.9 94.9 1.570 1.655 0.085 6 3 yes 1.046 1 1
1 169 LEU QD 1 no 78.9 67.3 11.374 16.897 5.523 28 11 yes 2.452 27 39
1 170 LEU QB 17 no 84.2 72.4 0.896 1.237 0.341 15 4 yes 1.111 2 8
1 170 LEU QD 47 yes 84.2 79.6 6.188 7.777 1.590 9 1 yes 2.586 11 14
1 171 TRP QB 125 no 57.9 49.9 0.020 0.041 0.020 5 0 no 0.218 0 0
1 172 ASP QB 133 yes 78.9 71.7 0.659 0.918 0.260 5 1 yes 1.743 1 3
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