NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619925 |
5ms9   |
19078 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_5ms9
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 220
_Stereo_assign_list.Swap_count 33
_Stereo_assign_list.Swap_percentage 15.0
_Stereo_assign_list.Deassign_count 16
_Stereo_assign_list.Deassign_percentage 7.3
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 24.460
_Stereo_assign_list.Total_e_high_states 158.415
_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 9 CYS QB 127 no 25.0 55.3 0.006 0.012 0.005 8 0 no 0.168 0 0
1 10 ASN QB 41 yes 95.0 90.0 0.133 0.148 0.015 16 4 no 0.230 0 0
1 10 ASN QD 192 no 100.0 98.3 0.003 0.003 0.000 4 4 no 0.230 0 0
1 11 ILE QG 22 no 65.0 62.2 1.114 1.789 0.676 18 1 yes 1.295 3 18
1 12 ARG QB 211 no 70.0 78.7 0.015 0.019 0.004 2 0 no 0.210 0 0
1 12 ARG QD 217 no 75.0 68.2 1.249 1.832 0.583 1 0 yes 1.695 5 5
1 12 ARG QG 139 no 100.0 0.0 0.000 0.004 0.004 7 0 no 0.099 0 0
1 13 CYS QB 196 no 35.0 100.0 0.030 0.030 0.000 3 0 no 0.000 0 0
1 14 MET QB 57 no 100.0 97.4 0.004 0.004 0.000 14 6 no 0.181 0 0
1 14 MET QG 170 no 60.0 63.8 0.192 0.301 0.109 5 2 yes 0.804 0 11
1 15 ASN QB 106 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 15 ASN QD 70 no 100.0 0.0 0.000 0.000 0.000 13 8 no 0.000 0 0
1 16 GLY QA 109 yes 100.0 100.0 0.106 0.106 0.000 10 6 no 0.000 0 0
1 17 GLY QA 132 yes 100.0 99.5 0.449 0.451 0.002 8 1 no 0.153 0 0
1 18 SER QB 155 no 45.0 69.6 0.134 0.193 0.059 6 1 no 0.564 0 1
1 19 CYS QB 166 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 20 SER QB 48 no 15.0 82.6 0.006 0.007 0.001 15 2 no 0.102 0 0
1 21 ASP QB 97 no 35.0 45.7 0.029 0.063 0.034 10 0 no 0.321 0 0
1 23 HIS QB 154 yes 75.0 28.0 0.143 0.509 0.366 6 1 no 0.289 0 0
1 24 CYS QB 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 25 LEU QB 160 no 100.0 99.3 0.208 0.210 0.001 6 2 no 0.140 0 0
1 25 LEU QD 64 no 100.0 100.0 1.355 1.355 0.000 13 3 no 0.051 0 0
1 26 CYS QB 16 yes 90.0 95.2 0.681 0.715 0.034 20 0 no 0.490 0 0
1 27 GLN QB 13 no 95.0 97.9 0.676 0.691 0.014 21 2 no 0.402 0 0
1 27 GLN QE 92 no 75.0 24.3 0.036 0.147 0.111 11 8 no 0.493 0 0
1 27 GLN QG 35 no 70.0 80.9 1.929 2.385 0.456 17 9 no 0.188 0 0
1 28 LYS QB 88 no 80.0 15.6 0.036 0.233 0.197 11 4 no 0.520 0 2
1 28 LYS QD 210 no 30.0 62.1 0.309 0.497 0.188 2 0 no 0.897 0 4
1 28 LYS QE 220 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 28 LYS QG 33 no 70.0 54.0 0.061 0.113 0.052 17 7 no 0.475 0 0
1 29 GLY QA 5 no 100.0 98.2 1.775 1.808 0.033 28 11 no 0.239 0 0
1 30 TYR QB 152 no 5.0 100.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 31 ILE QG 4 no 100.0 66.9 0.004 0.007 0.002 28 9 no 0.112 0 0
1 32 GLY QA 31 no 100.0 98.6 0.002 0.002 0.000 17 4 no 0.112 0 0
1 34 HIS QB 96 no 0.0 0.0 0.000 0.000 0.000 10 0 no 0.064 0 0
1 35 CYS QB 126 no 100.0 95.9 0.527 0.550 0.022 8 0 no 0.340 0 0
1 36 GLY QA 34 no 0.0 0.0 0.000 0.003 0.003 17 9 no 0.125 0 0
1 37 GLN QB 91 no 100.0 0.0 0.000 0.000 0.000 11 6 no 0.000 0 0
1 37 GLN QE 59 no 85.0 21.1 0.064 0.303 0.239 14 8 no 0.115 0 0
1 37 GLN QG 141 no 100.0 100.0 0.527 0.528 0.000 7 3 no 0.065 0 0
1 38 PRO QB 9 no 85.0 76.4 0.283 0.371 0.087 23 8 no 0.687 0 4
1 38 PRO QD 80 yes 80.0 85.2 0.202 0.237 0.035 12 9 no 0.505 0 1
1 38 PRO QG 172 no 100.0 99.8 0.523 0.524 0.001 5 5 no 0.115 0 0
1 39 VAL QG 62 no 100.0 98.4 7.136 7.250 0.114 13 2 no 0.311 0 0
1 40 CYS QB 12 no 90.0 96.7 0.313 0.324 0.011 21 0 no 0.189 0 0
1 41 GLU QB 190 no 100.0 100.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 41 GLU QG 21 no 95.0 94.7 0.839 0.886 0.047 19 7 no 0.358 0 0
1 42 SER QB 58 no 95.0 95.5 0.135 0.142 0.006 14 8 no 0.305 0 0
1 43 GLY QA 151 no 100.0 0.0 0.000 0.082 0.082 6 0 no 0.437 0 0
1 44 CYS QB 131 no 100.0 67.9 0.000 0.000 0.000 8 1 no 0.038 0 0
1 45 LEU QB 14 no 20.0 31.0 0.034 0.110 0.076 21 6 no 0.316 0 0
1 45 LEU QD 43 yes 100.0 98.5 7.200 7.309 0.109 16 7 no 0.700 0 1
1 46 ASN QB 40 no 100.0 100.0 0.006 0.006 0.000 16 4 no 0.293 0 0
1 46 ASN QD 202 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 47 GLY QA 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 48 GLY QA 100 yes 95.0 96.4 0.521 0.540 0.019 10 1 no 0.542 0 1
1 49 ARG QB 134 no 80.0 82.6 0.159 0.193 0.034 8 3 no 0.558 0 1
1 49 ARG QD 219 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 49 ARG QG 130 no 55.0 50.4 0.084 0.167 0.083 8 1 no 0.504 0 1
1 50 CYS QB 165 no 85.0 73.2 0.172 0.235 0.063 5 0 no 0.529 0 1
1 51 VAL QG 6 no 100.0 98.6 11.801 11.968 0.167 25 7 no 0.765 0 4
1 53 PRO QB 19 no 90.0 91.7 0.970 1.057 0.087 20 13 no 0.687 0 4
1 53 PRO QD 45 no 100.0 0.0 0.000 0.000 0.000 16 9 no 0.000 0 0
1 53 PRO QG 18 no 100.0 98.9 0.839 0.849 0.010 20 12 no 0.159 0 0
1 54 ASN QB 65 no 100.0 99.6 0.134 0.134 0.001 13 4 no 0.068 0 0
1 54 ASN QD 61 no 65.0 84.6 0.037 0.044 0.007 14 10 no 0.358 0 0
1 55 ARG QB 56 yes 90.0 66.7 0.230 0.345 0.115 14 5 no 0.914 0 2
1 55 ARG QD 171 no 85.0 83.5 2.460 2.946 0.487 5 3 yes 1.382 3 8
1 55 ARG QG 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 56 CYS QB 81 no 55.0 100.0 0.019 0.019 0.000 11 0 no 0.000 0 0
1 58 CYS QB 150 yes 100.0 100.0 0.635 0.635 0.000 6 0 no 0.000 0 0
1 60 TYR QB 73 no 85.0 97.5 1.396 1.431 0.035 12 0 no 0.347 0 0
1 61 GLY QA 30 no 100.0 99.4 1.777 1.788 0.011 17 2 no 0.298 0 0
1 62 PHE QB 114 no 100.0 99.8 1.482 1.485 0.003 9 0 no 0.136 0 0
1 64 GLY QA 140 no 100.0 100.0 0.003 0.003 0.000 7 3 no 0.000 0 0
1 65 PRO QB 184 yes 100.0 100.0 0.108 0.108 0.000 4 1 no 0.024 0 0
1 65 PRO QD 144 no 100.0 100.0 0.071 0.071 0.000 7 4 no 0.000 0 0
1 65 PRO QG 201 yes 100.0 99.8 0.900 0.902 0.002 3 2 no 0.122 0 0
1 66 GLN QB 90 no 95.0 94.9 0.488 0.514 0.026 11 5 no 0.700 0 1
1 66 GLN QE 52 no 15.0 96.9 0.055 0.057 0.002 15 12 no 0.084 0 0
1 66 GLN QG 29 no 95.0 61.9 1.069 1.727 0.658 18 12 no 0.178 0 0
1 67 CYS QB 11 yes 100.0 87.7 1.039 1.185 0.146 22 4 no 0.449 0 0
1 68 GLU QB 188 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 68 GLU QG 44 yes 100.0 99.6 2.171 2.179 0.008 16 8 no 0.171 0 0
1 69 ARG QB 84 no 95.0 98.0 0.410 0.419 0.008 11 2 no 0.298 0 0
1 69 ARG QG 87 no 20.0 1.7 0.001 0.083 0.081 11 4 no 0.389 0 0
1 70 ASP QB 72 no 100.0 0.0 0.000 0.004 0.004 12 0 no 0.180 0 0
1 71 TYR QB 71 no 100.0 96.4 0.692 0.718 0.026 12 0 no 0.220 0 0
1 72 ARG QB 159 no 50.0 73.1 0.355 0.486 0.131 6 2 yes 1.354 5 7
1 74 GLY QA 32 yes 100.0 97.4 0.811 0.832 0.022 17 7 no 0.219 0 0
1 75 PRO QD 138 no 100.0 0.0 0.000 0.000 0.000 8 7 no 0.000 0 0
1 75 PRO QG 137 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 76 CYS QB 213 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 77 PHE QB 195 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 80 ILE QG 125 no 20.0 21.4 0.005 0.025 0.019 8 0 no 0.465 0 0
1 82 ASN QB 136 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 82 ASN QD 191 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 83 GLN QB 216 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 86 GLN QB 26 no 65.0 26.1 0.047 0.181 0.134 18 7 no 0.909 0 3
1 86 GLN QE 164 no 100.0 100.0 0.001 0.001 0.000 6 6 no 0.000 0 0
1 86 GLN QG 89 yes 85.0 73.5 0.312 0.424 0.113 11 5 yes 1.033 1 2
1 87 GLY QA 158 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.135 0 0
1 89 LEU QB 169 no 90.0 96.5 0.005 0.006 0.000 5 1 no 0.000 0 0
1 89 LEU QD 168 no 85.0 57.3 0.090 0.157 0.067 5 1 yes 1.088 1 3
1 90 SER QB 198 no 65.0 35.6 0.181 0.509 0.327 3 1 yes 1.664 3 4
1 91 GLY QA 183 no 95.0 81.8 0.660 0.806 0.147 4 1 no 0.543 0 1
1 92 ILE QG 182 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 93 VAL QG 23 no 100.0 83.8 7.853 9.375 1.522 18 2 yes 1.241 16 19
1 94 SER QB 37 yes 95.0 75.2 0.201 0.268 0.066 16 1 no 0.488 0 0
1 96 LYS QB 8 yes 85.0 93.2 1.174 1.259 0.085 24 9 no 0.914 0 2
1 96 LYS QD 28 no 95.0 79.9 1.660 2.077 0.416 18 10 yes 1.651 2 3
1 96 LYS QE 36 no 10.0 62.2 0.053 0.086 0.032 17 13 no 0.549 0 1
1 96 LYS QG 7 no 35.0 3.3 0.008 0.233 0.225 25 14 yes 1.361 1 2
1 98 LEU QB 49 yes 90.0 54.7 0.277 0.506 0.230 15 3 no 0.070 0 0
1 98 LEU QD 15 yes 100.0 97.8 11.811 12.071 0.260 21 7 no 0.424 0 0
1 99 CYS QB 129 no 80.0 100.0 0.379 0.379 0.000 8 1 no 0.000 0 0
1 100 CYS QB 128 no 85.0 100.0 0.020 0.020 0.000 8 1 no 0.000 0 0
1 103 VAL QG 17 no 85.0 73.1 0.657 0.899 0.241 20 4 no 0.915 0 5
1 104 GLY QA 178 no 5.0 100.0 0.004 0.004 0.000 4 0 no 0.000 0 0
1 105 ARG QB 77 no 55.0 18.9 0.058 0.307 0.249 12 5 no 0.713 0 8
1 105 ARG QD 189 no 65.0 32.7 0.000 0.001 0.000 4 3 no 0.035 0 0
1 105 ARG QG 214 no 90.0 79.7 0.000 0.001 0.000 2 2 no 0.035 0 0
1 107 TRP QB 47 no 100.0 0.0 0.000 0.000 0.000 15 2 no 0.000 0 0
1 108 GLY QA 102 no 15.0 100.0 0.003 0.003 0.000 10 2 no 0.000 0 0
1 109 HIS QB 149 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 110 PRO QB 111 no 100.0 0.0 0.000 0.000 0.000 10 7 no 0.000 0 0
1 110 PRO QD 112 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 110 PRO QG 123 no 100.0 0.0 0.000 0.000 0.000 9 7 no 0.000 0 0
1 112 GLU QB 122 no 60.0 10.5 0.017 0.158 0.142 9 7 no 0.549 0 1
1 112 GLU QG 116 yes 100.0 99.2 0.156 0.157 0.001 9 1 no 0.122 0 0
1 113 MET QB 133 no 60.0 33.7 0.372 1.102 0.731 8 2 yes 1.646 9 17
1 113 MET QG 83 no 60.0 14.0 0.036 0.255 0.219 11 2 no 0.700 0 6
1 115 PRO QB 105 yes 100.0 79.2 0.308 0.389 0.081 10 3 no 0.429 0 0
1 115 PRO QD 204 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 115 PRO QG 200 no 100.0 100.0 0.056 0.056 0.000 3 2 no 0.000 0 0
1 117 GLN QB 51 no 100.0 99.3 0.281 0.283 0.002 15 7 no 0.226 0 0
1 117 GLN QE 143 no 90.0 32.5 0.008 0.023 0.016 7 4 no 0.466 0 0
1 117 GLN QG 161 no 95.0 85.5 0.107 0.125 0.018 6 3 no 0.407 0 0
1 118 PRO QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 118 PRO QD 162 yes 90.0 93.2 0.209 0.224 0.015 6 4 no 0.329 0 0
1 119 HIS QB 194 no 100.0 91.8 0.049 0.053 0.004 3 0 no 0.349 0 0
1 120 PRO QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 121 CYS QB 197 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 122 ARG QB 101 no 95.0 58.6 0.054 0.093 0.038 10 2 no 0.719 0 2
1 122 ARG QD 187 no 20.0 99.0 0.041 0.041 0.000 4 2 no 0.083 0 0
1 122 ARG QG 113 no 50.0 56.0 0.175 0.313 0.138 9 0 no 0.725 0 5
1 123 ARG QB 207 no 80.0 64.4 0.277 0.430 0.153 2 0 no 0.935 0 4
1 124 GLY QA 167 no 100.0 100.0 1.584 1.584 0.000 5 1 no 0.053 0 0
1 125 PHE QB 82 no 100.0 0.0 0.000 0.000 0.000 11 1 no 0.000 0 0
1 126 ILE QG 99 no 100.0 82.4 0.269 0.327 0.058 10 1 no 0.330 0 0
1 127 PRO QB 110 no 100.0 0.0 0.000 0.000 0.000 10 7 no 0.024 0 0
1 127 PRO QD 68 no 100.0 0.0 0.000 0.000 0.000 13 6 no 0.000 0 0
1 127 PRO QG 120 no 100.0 0.0 0.000 0.000 0.000 9 5 no 0.000 0 0
1 128 ASN QB 10 yes 100.0 98.6 0.194 0.197 0.003 22 4 no 0.095 0 0
1 128 ASN QD 86 no 100.0 99.3 0.365 0.368 0.003 11 4 no 0.105 0 0
1 129 ILE QG 177 yes 100.0 97.7 0.368 0.377 0.009 4 0 no 0.156 0 0
1 130 ARG QG 193 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 132 GLY QA 54 no 100.0 0.0 0.000 0.005 0.005 14 4 no 0.129 0 0
1 134 CYS QB 74 no 100.0 99.7 0.186 0.186 0.001 12 2 no 0.059 0 0
1 135 GLN QB 157 no 25.0 14.9 0.009 0.058 0.049 6 2 no 0.423 0 0
1 135 GLN QE 163 no 100.0 100.0 0.000 0.000 0.000 6 6 no 0.032 0 0
1 135 GLN QG 119 no 50.0 60.8 0.007 0.012 0.005 9 5 no 0.166 0 0
1 136 ASP QB 38 no 100.0 0.0 0.000 0.000 0.000 16 2 no 0.000 0 0
1 137 VAL QG 2 yes 100.0 82.6 15.477 18.733 3.256 39 7 no 0.360 0 0
1 138 ASP QB 55 no 95.0 99.2 0.058 0.058 0.000 14 5 no 0.601 0 3
1 139 GLU QB 24 no 100.0 68.9 0.784 1.138 0.354 18 6 no 0.506 0 1
1 139 GLU QG 118 no 100.0 100.0 1.155 1.155 0.000 9 5 no 0.029 0 0
1 140 CYS QB 153 no 70.0 78.5 0.092 0.117 0.025 6 1 no 0.421 0 0
1 141 GLN QB 25 no 95.0 94.4 0.389 0.412 0.023 18 7 no 0.509 0 1
1 141 GLN QE 146 no 100.0 99.9 0.036 0.036 0.000 7 5 no 0.414 0 0
1 141 GLN QG 69 no 100.0 89.3 0.589 0.659 0.070 13 8 no 0.414 0 0
1 143 ILE QG 85 no 5.0 100.0 0.000 0.000 0.000 11 4 no 0.000 0 0
1 144 PRO QB 79 no 80.0 39.6 0.099 0.251 0.152 12 6 no 0.401 0 0
1 144 PRO QD 199 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 144 PRO QG 135 no 55.0 3.4 0.008 0.238 0.230 8 4 no 0.639 0 6
1 145 GLY QA 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 146 LEU QB 76 no 55.0 82.8 0.181 0.218 0.037 12 4 no 0.791 0 1
1 146 LEU QD 1 no 75.0 6.5 0.454 6.988 6.534 68 32 yes 1.506 2 8
1 150 GLY QA 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 ASN QB 27 no 100.0 0.0 0.000 0.114 0.114 18 8 no 0.868 0 4
1 151 ASN QD 108 no 100.0 0.0 0.000 0.001 0.001 10 6 no 0.107 0 0
1 152 CYS QB 124 no 65.0 82.9 0.155 0.187 0.032 8 0 no 0.469 0 0
1 153 ILE QG 20 yes 95.0 73.5 0.201 0.274 0.073 19 5 no 0.868 0 1
1 154 ASN QB 117 yes 100.0 89.5 2.413 2.695 0.282 9 2 yes 1.149 1 9
1 154 ASN QD 186 no 100.0 100.0 0.274 0.274 0.000 4 2 no 0.000 0 0
1 156 VAL QG 53 no 55.0 52.6 0.208 0.396 0.188 14 2 yes 1.039 1 13
1 157 GLY QA 95 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 158 SER QB 148 no 100.0 0.0 0.000 0.012 0.012 6 0 no 0.175 0 0
1 159 PHE QB 39 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 160 GLU QB 46 no 100.0 98.9 0.731 0.739 0.008 15 1 no 0.254 0 0
1 160 GLU QG 94 no 90.0 49.4 0.008 0.016 0.008 10 0 no 0.340 0 0
1 161 CYS QB 142 no 100.0 93.9 1.931 2.056 0.125 7 4 no 0.447 0 0
1 162 LYS QB 145 no 85.0 49.9 0.255 0.511 0.256 7 5 no 0.702 0 3
1 162 LYS QD 185 no 50.0 79.5 0.825 1.039 0.213 4 2 yes 1.428 1 4
1 162 LYS QE 212 no 75.0 36.8 0.029 0.079 0.050 2 1 no 0.834 0 2
1 162 LYS QG 215 no 60.0 92.9 0.086 0.093 0.007 1 0 no 0.225 0 0
1 163 CYS QB 104 no 65.0 45.1 0.126 0.280 0.154 10 3 no 0.824 0 6
1 164 PRO QB 42 yes 90.0 97.5 0.136 0.139 0.003 16 6 no 0.148 0 0
1 164 PRO QD 60 no 100.0 0.0 0.000 0.000 0.000 14 10 no 0.000 0 0
1 164 PRO QG 67 no 100.0 100.0 0.150 0.150 0.000 13 6 no 0.023 0 0
1 166 GLY QA 93 yes 100.0 100.0 0.181 0.181 0.000 10 0 no 0.000 0 0
1 167 HIS QB 115 no 100.0 82.6 0.096 0.117 0.020 9 1 no 0.387 0 0
1 168 LYS QB 156 no 80.0 96.1 0.069 0.072 0.003 6 2 no 0.141 0 0
1 168 LYS QE 218 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 168 LYS QG 175 no 100.0 98.6 0.917 0.929 0.013 4 0 no 0.314 0 0
1 169 LEU QB 50 no 100.0 100.0 0.000 0.000 0.000 15 5 no 0.000 0 0
1 169 LEU QD 3 yes 100.0 98.5 10.178 10.330 0.151 30 11 no 0.188 0 0
1 170 ASN QB 75 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 170 ASN QD 147 no 100.0 0.0 0.000 0.000 0.000 7 6 no 0.008 0 0
1 171 GLU QB 103 no 100.0 100.0 0.322 0.322 0.000 10 3 no 0.000 0 0
1 171 GLU QG 78 yes 100.0 93.4 0.136 0.146 0.010 12 6 no 0.142 0 0
1 172 VAL QG 63 no 100.0 99.8 4.579 4.587 0.009 13 3 no 0.152 0 0
1 173 SER QB 98 no 5.0 100.0 0.016 0.016 0.000 10 1 no 0.000 0 0
1 174 GLN QB 66 yes 75.0 80.6 0.356 0.442 0.086 13 5 no 0.678 0 2
1 175 LYS QB 107 no 20.0 100.0 0.131 0.131 0.000 10 6 no 0.000 0 0
1 175 LYS QE 203 no 20.0 73.6 0.081 0.110 0.029 3 3 no 0.293 0 0
1 175 LYS QG 121 no 80.0 69.7 0.020 0.029 0.009 9 6 no 0.293 0 0
1 176 CYS QB 174 no 85.0 93.6 0.060 0.064 0.004 4 0 no 0.200 0 0
1 177 GLU QB 205 no 100.0 100.0 0.002 0.002 0.000 2 0 no 0.183 0 0
1 177 GLU QG 173 no 20.0 10.2 0.009 0.087 0.078 4 0 no 0.492 0 0
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