NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
592323 |
2n2h   |
25599 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2n2h
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 215
_Stereo_assign_list.Swap_count 6
_Stereo_assign_list.Swap_percentage 2.8
_Stereo_assign_list.Deassign_count 24
_Stereo_assign_list.Deassign_percentage 11.2
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 29.116
_Stereo_assign_list.Total_e_high_states 146.334
_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 5 GLN QB 109 no 40.0 51.5 0.009 0.018 0.009 10 2 no 0.412 0 0
1 6 LEU QB 86 no 15.0 100.0 0.002 0.002 0.000 12 2 no 0.000 0 0
1 6 LEU QD 116 no 70.0 84.9 1.318 1.551 0.234 9 2 yes 1.219 1 4
1 7 ASN QB 132 no 25.0 61.2 0.037 0.061 0.024 8 4 no 0.049 0 0
1 7 ASN QD 163 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 9 LEU QB 105 no 60.0 99.1 0.067 0.068 0.001 11 7 no 0.104 0 0
1 9 LEU QD 18 no 40.0 14.5 0.322 2.225 1.903 25 11 yes 1.563 16 30
1 10 LEU QB 100 no 80.0 63.3 0.092 0.145 0.053 11 6 no 0.879 0 1
1 10 LEU QD 21 no 80.0 41.4 1.062 2.564 1.503 23 13 yes 3.127 6 13
1 13 GLU QB 108 no 20.0 100.0 0.002 0.002 0.000 10 2 no 0.000 0 0
1 14 GLN QB 189 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 15 ILE QG 107 no 100.0 0.0 0.000 0.000 0.000 10 1 no 0.000 0 0
1 16 MET QB 79 no 40.0 100.0 0.093 0.093 0.000 13 7 no 0.000 0 0
1 16 MET QG 53 no 75.0 42.5 0.845 1.986 1.141 16 8 yes 1.188 1 3
1 17 GLU QB 77 no 100.0 98.3 0.832 0.847 0.014 13 2 no 0.163 0 0
1 17 GLU QG 188 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 18 ASP QB 93 no 45.0 58.1 0.002 0.003 0.001 11 1 no 0.139 0 0
1 19 LEU QB 78 no 10.0 50.4 0.002 0.004 0.002 13 4 no 0.021 0 0
1 19 LEU QD 5 no 85.0 66.4 3.190 4.803 1.613 41 16 yes 3.249 6 16
1 20 ARG QB 187 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 20 ARG QG 115 no 45.0 18.7 0.022 0.118 0.096 9 1 no 0.514 0 1
1 22 LEU QB 186 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 22 LEU QD 12 no 100.0 99.7 10.370 10.399 0.028 32 12 no 0.219 0 0
1 23 ASN QB 97 no 50.0 100.0 0.049 0.049 0.000 11 4 no 0.000 0 0
1 23 ASN QD 152 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 24 LYS QB 147 no 90.0 100.0 0.245 0.245 0.000 4 0 no 0.015 0 0
1 25 LEU QB 162 no 15.0 53.0 0.010 0.020 0.009 3 3 no 0.402 0 0
1 25 LEU QD 129 no 40.0 19.3 0.059 0.306 0.247 8 2 no 0.899 0 9
1 26 LYS QD 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 2 ASN QB 155 no 15.0 70.7 0.215 0.304 0.089 3 1 no 0.781 0 3
2 2 ASN QD 215 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 4 GLU QB 157 no 70.0 49.3 0.028 0.058 0.029 3 2 no 0.421 0 0
2 6 ILE QG 67 no 30.0 76.2 0.287 0.376 0.089 14 2 no 0.781 0 3
2 7 TYR QB 120 no 20.0 49.7 0.006 0.013 0.007 9 4 no 0.320 0 0
2 8 ARG QB 71 no 65.0 30.5 0.003 0.010 0.007 14 6 no 0.234 0 0
2 8 ARG QD 180 no 100.0 100.0 0.000 0.000 0.000 2 2 no 0.012 0 0
2 10 GLU QB 123 no 35.0 75.9 0.003 0.004 0.001 9 6 no 0.143 0 0
2 10 GLU QG 164 no 5.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 11 ASP QB 142 no 50.0 38.2 0.005 0.013 0.008 6 2 no 0.305 0 0
2 12 GLU QB 104 no 90.0 73.0 0.022 0.030 0.008 11 7 no 0.562 0 2
2 12 GLU QG 214 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 13 ARG QB 96 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.000 0 0
2 13 ARG QD 185 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 14 PHE QB 70 no 35.0 100.0 0.000 0.000 0.000 14 6 no 0.000 0 0
2 15 GLU QB 179 no 5.0 16.1 0.002 0.012 0.010 2 2 no 0.452 0 0
2 16 LEU QB 40 no 80.0 97.8 0.227 0.232 0.005 19 11 no 0.308 0 0
2 16 LEU QD 4 no 70.0 84.7 3.191 3.769 0.578 46 37 yes 1.849 2 8
2 17 ASP QB 95 no 30.0 86.6 0.006 0.007 0.001 11 4 no 0.077 0 0
2 18 VAL QG 22 no 100.0 97.3 2.222 2.284 0.062 23 19 no 0.430 0 0
2 19 VAL QG 10 no 90.0 82.6 2.498 3.025 0.526 34 14 no 0.825 0 5
2 20 LEU QB 19 no 100.0 99.1 0.996 1.005 0.009 25 15 no 0.132 0 0
2 20 LEU QD 1 no 100.0 93.1 14.263 15.321 1.058 51 37 no 0.660 0 1
2 21 GLU QB 143 no 20.0 99.1 0.035 0.036 0.000 6 4 no 0.067 0 0
2 21 GLU QG 137 no 35.0 62.0 0.036 0.058 0.022 7 3 no 0.411 0 0
2 23 ASN QB 87 yes 100.0 79.0 0.466 0.590 0.124 12 4 no 0.075 0 0
2 23 ASN QD 184 no 95.0 93.2 0.062 0.067 0.005 1 0 no 0.242 0 0
2 24 LEU QD 66 no 75.0 67.1 1.388 2.070 0.682 15 10 yes 1.708 3 5
2 27 ILE QG 90 yes 100.0 99.8 0.143 0.143 0.000 12 7 no 0.075 0 0
2 28 ARG QB 25 no 75.0 63.5 0.066 0.104 0.038 22 20 no 0.804 0 1
2 28 ARG QD 35 no 65.0 69.9 0.285 0.408 0.123 20 15 yes 1.218 3 10
2 28 ARG QG 36 no 75.0 29.0 0.395 1.364 0.969 20 16 no 0.804 0 1
2 29 VAL QG 8 no 90.0 81.5 6.229 7.640 1.410 39 21 yes 2.427 8 22
2 30 LEU QB 33 no 95.0 96.9 0.999 1.031 0.032 20 12 no 0.000 0 0
2 30 LEU QD 24 no 40.0 44.1 0.588 1.333 0.745 22 12 yes 2.059 8 12
2 31 GLU QB 29 no 100.0 99.1 0.125 0.126 0.001 21 14 no 0.143 0 0
2 31 GLU QG 88 no 95.0 88.7 0.402 0.454 0.051 12 6 no 0.170 0 0
2 33 ILE QG 27 no 55.0 28.4 0.484 1.704 1.220 21 10 yes 1.343 12 25
2 34 GLN QB 57 no 65.0 96.4 0.056 0.058 0.002 16 11 no 0.118 0 0
2 34 GLN QE 131 no 35.0 23.6 0.002 0.007 0.006 8 3 no 0.198 0 0
2 34 GLN QG 161 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
2 35 LYS QB 172 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
2 35 LYS QD 149 no 90.0 69.1 0.001 0.001 0.000 4 2 no 0.118 0 0
2 35 LYS QG 83 no 85.0 92.2 0.019 0.021 0.002 13 9 no 0.469 0 0
2 36 LYS QB 171 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
2 36 LYS QD 178 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 36 LYS QE 160 no 15.0 92.1 0.000 0.000 0.000 3 3 no 0.020 0 0
2 36 LYS QG 85 no 60.0 72.4 0.610 0.842 0.232 13 12 no 0.244 0 0
2 37 LEU QB 39 no 100.0 91.9 0.214 0.233 0.019 19 11 no 0.088 0 0
2 37 LEU QD 2 no 100.0 97.3 17.415 17.894 0.478 50 26 no 0.467 0 0
2 38 SER QB 213 no 65.0 13.2 0.060 0.451 0.391 1 1 no 0.003 0 0
2 39 ARG QB 103 no 100.0 99.6 0.255 0.256 0.001 11 7 no 0.071 0 0
2 39 ARG QD 212 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.014 0 0
2 39 ARG QG 63 no 75.0 22.3 0.080 0.359 0.279 15 8 yes 1.462 3 5
2 40 LEU QB 32 no 95.0 87.2 0.458 0.526 0.068 20 12 yes 1.089 1 1
2 40 LEU QD 6 yes 95.0 94.1 3.011 3.198 0.187 41 25 yes 1.259 2 4
2 41 SER QB 128 no 55.0 49.0 0.068 0.139 0.071 8 2 no 0.523 0 4
2 43 GLU QB 82 no 65.0 61.0 0.051 0.084 0.033 13 9 no 0.251 0 0
2 44 GLU QB 50 no 100.0 99.9 2.204 2.206 0.002 17 13 no 0.328 0 0
2 44 GLU QG 73 no 100.0 99.2 0.482 0.486 0.004 14 8 no 0.057 0 0
2 45 GLN QB 45 no 80.0 91.1 0.063 0.070 0.006 18 14 no 0.125 0 0
2 45 GLN QE 125 no 90.0 92.0 0.227 0.247 0.020 9 8 no 0.516 0 1
2 45 GLN QG 17 no 85.0 74.4 0.514 0.690 0.177 26 19 no 0.977 0 2
2 47 LYS QB 51 no 100.0 97.5 0.891 0.915 0.023 16 5 no 0.370 0 0
2 47 LYS QD 211 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 47 LYS QE 156 no 70.0 2.0 0.003 0.141 0.138 3 2 no 0.813 0 4
2 47 LYS QG 135 no 5.0 100.0 0.000 0.000 0.000 7 2 no 0.000 0 0
2 48 PHE QB 62 no 100.0 100.0 0.982 0.982 0.000 15 7 no 0.000 0 0
2 49 ARG QB 119 no 100.0 100.0 0.000 0.000 0.000 9 4 no 0.000 0 0
2 49 ARG QD 38 no 55.0 27.4 0.272 0.995 0.723 19 10 yes 1.369 6 14
2 49 ARG QG 170 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
2 50 LEU QB 74 no 70.0 15.0 0.008 0.054 0.046 14 10 no 0.553 0 1
2 50 LEU QD 44 no 65.0 3.2 0.066 2.059 1.994 18 14 yes 2.019 14 21
2 51 ASP QB 145 no 100.0 100.0 0.012 0.012 0.000 5 2 no 0.481 0 0
2 52 ASN QD 169 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
2 54 LEU QB 54 no 70.0 81.0 0.095 0.118 0.022 16 9 no 0.553 0 1
2 54 LEU QD 31 no 65.0 67.7 0.707 1.045 0.338 20 12 yes 1.115 1 5
2 58 SER QB 127 no 80.0 70.6 0.372 0.527 0.155 8 2 no 0.570 0 1
2 59 GLU QB 154 no 5.0 100.0 0.001 0.001 0.000 3 1 no 0.000 0 0
2 60 VAL QG 14 no 100.0 99.2 8.753 8.822 0.069 29 14 no 0.660 0 2
2 61 ILE QG 60 no 95.0 87.0 0.311 0.357 0.046 15 5 no 0.804 0 1
2 62 HIS QB 141 no 5.0 100.0 0.001 0.001 0.000 6 2 no 0.000 0 0
2 63 ARG QB 210 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 63 ARG QD 209 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 63 ARG QG 84 no 85.0 86.8 0.004 0.005 0.001 13 10 no 0.284 0 0
2 64 LYS QB 48 no 100.0 100.0 1.083 1.083 0.000 17 7 no 0.046 0 0
2 64 LYS QE 208 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 64 LYS QG 61 no 90.0 66.6 0.097 0.145 0.048 15 6 no 0.548 0 2
2 66 LEU QB 15 no 80.0 52.1 0.418 0.802 0.384 28 19 no 0.913 0 6
2 66 LEU QD 7 no 50.0 10.5 0.105 1.001 0.896 40 25 yes 1.456 5 24
2 67 GLN QB 20 no 100.0 97.4 0.471 0.484 0.012 23 12 no 0.171 0 0
2 67 GLN QE 140 no 20.0 46.2 0.007 0.016 0.009 6 2 no 0.298 0 0
2 67 GLN QG 207 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 68 ARG QD 206 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 68 ARG QG 81 no 90.0 37.2 0.002 0.006 0.004 13 8 no 0.233 0 0
2 69 ILE QG 52 yes 100.0 99.2 0.147 0.148 0.001 16 7 no 0.007 0 0
2 70 TYR QB 47 no 95.0 88.2 0.041 0.047 0.006 17 5 no 0.320 0 0
2 73 LYS QB 205 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 73 LYS QD 118 no 45.0 45.2 0.020 0.045 0.025 9 3 no 0.695 0 1
2 73 LYS QG 91 no 60.0 69.9 0.049 0.070 0.021 12 8 no 0.398 0 0
2 76 ASP QB 98 no 100.0 95.5 0.248 0.259 0.012 11 5 no 0.163 0 0
2 77 ILE QG 76 no 100.0 99.0 0.168 0.169 0.002 13 2 no 0.000 0 0
2 78 ILE QG 68 no 45.0 4.1 0.001 0.034 0.033 14 5 no 0.314 0 0
2 79 ASP QB 114 no 75.0 100.0 0.113 0.113 0.000 9 0 no 0.027 0 0
2 80 GLY QA 37 no 100.0 93.3 1.649 1.767 0.119 19 8 no 0.541 0 2
2 81 LEU QB 16 no 100.0 96.0 0.115 0.120 0.005 27 14 no 0.108 0 0
2 81 LEU QD 9 no 100.0 99.0 8.336 8.421 0.085 35 19 no 0.467 0 0
2 82 ARG QD 204 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 82 ARG QG 122 no 5.0 100.0 0.000 0.000 0.000 9 6 no 0.000 0 0
2 83 LYS QB 150 no 100.0 0.0 0.000 0.000 0.000 4 3 no 0.000 0 0
2 83 LYS QE 146 no 10.0 52.3 0.001 0.001 0.001 5 4 no 0.000 0 0
2 83 LYS QG 69 no 95.0 84.9 0.015 0.017 0.003 14 6 no 0.398 0 0
2 84 ASN QB 26 no 100.0 99.5 0.424 0.427 0.002 21 9 no 0.115 0 0
2 84 ASN QD 65 no 55.0 66.1 0.207 0.313 0.106 15 10 no 0.402 0 0
2 85 PRO QB 72 no 95.0 96.7 0.896 0.926 0.031 14 8 no 0.024 0 0
2 85 PRO QD 136 no 80.0 65.9 0.007 0.010 0.003 7 3 no 0.250 0 0
2 85 PRO QG 112 no 70.0 97.9 0.215 0.220 0.005 10 7 no 0.132 0 0
2 86 SER QB 102 no 40.0 61.3 0.003 0.005 0.002 11 7 no 0.146 0 0
2 87 ILE QG 46 no 35.0 64.6 0.071 0.110 0.039 17 5 yes 1.035 1 3
2 89 VAL QG 3 no 95.0 88.0 1.432 1.627 0.196 48 33 yes 1.090 1 1
2 90 PRO QB 101 no 100.0 99.6 0.421 0.422 0.002 11 7 no 0.148 0 0
2 90 PRO QD 28 no 100.0 99.4 0.162 0.163 0.001 21 11 no 0.122 0 0
2 90 PRO QG 43 no 100.0 97.8 0.391 0.399 0.009 18 13 no 0.163 0 0
2 91 ILE QG 59 no 100.0 100.0 0.327 0.327 0.000 15 3 no 0.000 0 0
2 92 VAL QG 23 no 55.0 40.1 0.274 0.682 0.408 22 8 no 0.798 0 11
2 93 LEU QB 203 no 10.0 5.7 0.001 0.019 0.018 1 1 no 0.258 0 0
2 93 LEU QD 30 no 50.0 22.4 0.387 1.730 1.343 21 16 yes 2.032 11 16
2 94 LYS QB 202 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 94 LYS QD 183 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 94 LYS QE 201 no 10.0 97.2 0.043 0.044 0.001 1 1 no 0.148 0 0
2 95 ARG QB 200 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 95 ARG QD 139 yes 80.0 88.5 0.130 0.147 0.017 6 1 no 0.426 0 0
2 95 ARG QG 199 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 96 LEU QB 49 no 50.0 1.8 0.001 0.066 0.065 17 13 no 0.879 0 1
2 96 LEU QD 13 no 75.0 62.4 1.610 2.581 0.971 31 15 yes 1.595 5 13
2 97 LYS QB 177 no 85.0 4.3 0.017 0.400 0.383 2 2 no 0.000 0 0
2 97 LYS QG 182 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 98 MET QB 168 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
2 98 MET QG 106 no 65.0 75.7 0.469 0.619 0.151 10 1 no 0.393 0 0
2 99 LYS QB 117 no 40.0 47.7 0.006 0.013 0.007 9 3 no 0.346 0 0
2 99 LYS QE 89 no 55.0 0.9 0.010 1.056 1.046 12 7 no 0.808 0 2
2 100 GLU QB 176 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 100 GLU QG 198 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 101 GLU QB 197 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 101 GLU QG 138 no 15.0 3.1 0.000 0.002 0.002 7 4 no 0.157 0 0
2 102 GLU QB 111 no 95.0 100.0 0.003 0.003 0.000 10 5 no 0.128 0 0
2 102 GLU QG 133 no 85.0 72.8 0.006 0.008 0.002 8 6 no 0.134 0 0
2 103 TRP QB 121 no 85.0 100.0 0.017 0.017 0.000 9 5 no 0.000 0 0
2 104 ARG QB 55 no 90.0 85.6 0.546 0.638 0.092 16 10 no 0.982 0 1
2 104 ARG QD 58 no 50.0 32.2 0.143 0.443 0.301 16 12 yes 1.346 2 10
2 104 ARG QG 167 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
2 105 GLU QB 196 no 5.0 100.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 107 GLN QB 41 no 95.0 81.0 0.168 0.207 0.039 18 9 no 0.000 0 0
2 107 GLN QE 134 no 95.0 90.7 0.021 0.023 0.002 8 7 no 0.473 0 0
2 107 GLN QG 34 yes 95.0 94.7 1.054 1.113 0.059 20 15 no 0.412 0 0
2 108 ARG QB 80 no 30.0 69.5 0.036 0.051 0.016 13 8 no 0.509 0 1
2 108 ARG QD 195 no 10.0 53.9 0.000 0.000 0.000 1 1 no 0.129 0 0
2 108 ARG QG 181 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 109 GLY QA 130 no 30.0 88.7 0.025 0.028 0.003 8 3 no 0.000 0 0
2 110 PHE QB 194 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 111 ASN QB 193 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 111 ASN QD 148 no 100.0 0.0 0.000 0.008 0.008 4 2 no 0.412 0 0
2 112 LYS QB 159 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
2 112 LYS QD 153 no 100.0 100.0 0.000 0.000 0.000 3 1 no 0.020 0 0
2 112 LYS QE 192 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 112 LYS QG 42 no 85.0 81.1 0.026 0.033 0.006 18 10 no 0.651 0 1
2 113 VAL QG 11 no 45.0 86.0 1.127 1.311 0.183 33 25 yes 2.440 10 12
2 114 TRP QB 75 no 55.0 100.0 0.014 0.014 0.000 13 2 no 0.000 0 0
2 115 ARG QB 175 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 115 ARG QD 174 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 115 ARG QG 64 no 55.0 36.3 0.129 0.356 0.227 15 9 no 0.855 0 7
2 116 GLU QB 166 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
2 116 GLU QG 56 no 55.0 90.4 0.283 0.313 0.030 16 11 no 0.366 0 0
2 117 GLN QB 113 no 55.0 16.3 0.013 0.080 0.067 10 8 no 0.452 0 0
2 117 GLN QE 124 no 80.0 1.0 0.013 1.196 1.183 9 8 no 0.516 0 1
2 117 GLN QG 92 no 65.0 31.4 0.045 0.144 0.099 12 10 no 0.409 0 0
2 118 ASN QB 94 no 5.0 100.0 0.000 0.000 0.000 11 4 no 0.000 0 0
2 118 ASN QD 151 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 119 GLU QB 173 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 120 LYS QB 158 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
2 120 LYS QD 191 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 121 TYR QB 110 no 75.0 98.0 0.292 0.298 0.006 10 3 no 0.212 0 0
2 122 TYR QB 99 no 20.0 90.8 0.024 0.026 0.002 11 6 no 0.212 0 0
2 123 LEU QB 190 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 123 LEU QD 144 no 90.0 99.2 0.063 0.064 0.000 5 2 no 0.083 0 0
2 124 LYS QB 126 no 20.0 93.8 0.003 0.003 0.000 8 2 no 0.047 0 0
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