NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428301 |
2i3b   |
7119 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2i3b
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 205
_Stereo_assign_list.Swap_count 56
_Stereo_assign_list.Swap_percentage 27.3
_Stereo_assign_list.Deassign_count 59
_Stereo_assign_list.Deassign_percentage 28.8
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 153.839
_Stereo_assign_list.Total_e_high_states 456.854
_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 ARG QG 110 no 25.0 39.3 0.038 0.097 0.059 7 1 no 0.418 0 0
1 3 HIS QB 49 yes 100.0 99.6 0.731 0.734 0.003 12 4 no 0.086 0 0
1 4 VAL QG 29 no 100.0 88.2 9.586 10.873 1.287 16 4 no 0.123 0 0
1 5 PHE QB 69 no 90.0 29.1 0.220 0.757 0.537 10 4 no 0.252 0 0
1 6 LEU QB 116 yes 90.0 95.1 1.276 1.341 0.066 7 2 no 0.797 0 2
1 6 LEU QD 16 no 70.0 24.8 1.747 7.032 5.285 22 7 yes 2.626 48 94
1 8 GLY QA 160 no 45.0 12.2 0.015 0.122 0.107 5 4 no 0.000 0 0
1 11 GLY QA 178 no 60.0 53.7 0.112 0.209 0.097 3 1 no 0.662 0 1
1 12 VAL QG 97 yes 75.0 64.6 1.081 1.674 0.593 8 2 yes 1.645 5 8
1 13 GLY QA 205 no 30.0 3.6 0.014 0.396 0.382 1 1 no 0.432 0 0
1 14 LYS QD 167 no 65.0 95.0 0.397 0.418 0.021 4 1 no 0.949 0 12
1 17 LEU QB 38 no 100.0 98.2 0.249 0.254 0.004 14 4 no 0.119 0 0
1 17 LEU QD 17 no 75.0 78.5 4.425 5.640 1.215 21 8 yes 1.910 6 23
1 18 ILE QG 96 no 80.0 14.4 0.059 0.412 0.352 8 2 no 0.243 0 0
1 19 HIS QB 107 no 55.0 31.5 0.312 0.990 0.679 7 0 yes 1.546 4 14
1 20 LYS QB 149 no 95.0 96.1 0.058 0.060 0.002 5 0 no 0.163 0 0
1 20 LYS QD 115 no 35.0 29.6 0.124 0.421 0.296 7 2 yes 1.604 4 5
1 20 LYS QE 139 no 50.0 20.9 0.004 0.021 0.017 6 4 no 0.431 0 0
1 20 LYS QG 59 yes 95.0 97.4 0.250 0.257 0.007 11 4 no 0.254 0 0
1 23 GLU QG 78 no 70.0 38.6 0.063 0.163 0.100 9 1 no 0.976 0 2
1 24 VAL QG 21 yes 95.0 99.0 8.396 8.478 0.082 19 4 no 0.759 0 2
1 25 LEU QB 26 yes 100.0 99.5 4.138 4.158 0.020 17 3 no 0.097 0 0
1 25 LEU QD 14 yes 100.0 96.9 13.437 13.873 0.437 22 4 yes 1.747 4 6
1 26 LYS QG 66 no 85.0 16.5 0.079 0.480 0.401 10 2 no 0.086 0 0
1 27 SER QB 95 no 75.0 69.9 0.033 0.047 0.014 8 2 no 0.311 0 0
1 29 GLY QA 204 no 55.0 14.8 0.067 0.453 0.386 1 1 no 0.000 0 0
1 30 VAL QG 46 no 70.0 89.2 9.023 10.120 1.097 12 2 yes 2.568 53 98
1 31 PRO QB 203 no 70.0 96.2 0.066 0.069 0.003 1 0 no 0.087 0 0
1 31 PRO QD 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 VAL QG 37 no 65.0 54.0 3.270 6.060 2.790 14 4 yes 2.399 17 38
1 33 ASP QB 82 yes 80.0 49.7 1.426 2.868 1.443 9 3 no 0.118 0 0
1 34 GLY QA 25 no 85.0 63.2 2.207 3.493 1.285 18 8 no 0.268 0 0
1 35 PHE QB 34 no 100.0 55.2 1.198 2.173 0.974 15 7 no 0.080 0 0
1 36 TYR QB 136 no 100.0 98.8 1.648 1.667 0.019 6 3 no 0.344 0 0
1 38 GLU QB 65 no 45.0 15.9 0.186 1.167 0.982 10 2 no 0.567 0 2
1 38 GLU QG 53 no 65.0 16.1 0.155 0.965 0.810 11 2 yes 1.098 4 11
1 39 GLU QB 173 no 65.0 68.5 0.461 0.674 0.212 3 0 yes 1.411 7 10
1 39 GLU QG 154 no 45.0 37.2 0.019 0.052 0.033 5 1 no 0.702 0 2
1 40 VAL QG 36 no 85.0 95.9 11.179 11.654 0.475 14 3 yes 1.329 3 11
1 41 ARG QB 134 no 100.0 99.8 0.390 0.390 0.001 6 2 no 0.083 0 0
1 41 ARG QD 133 no 65.0 10.2 0.001 0.013 0.012 6 2 no 0.147 0 0
1 41 ARG QG 92 yes 100.0 93.1 0.669 0.718 0.050 8 1 no 0.702 0 2
1 42 GLN QB 81 yes 95.0 98.7 0.336 0.341 0.004 9 2 no 0.101 0 0
1 42 GLN QE 177 no 100.0 100.0 0.000 0.000 0.000 3 1 no 0.079 0 0
1 43 GLY QA 191 no 20.0 95.1 0.041 0.043 0.002 2 0 no 0.101 0 0
1 44 GLY QA 202 no 55.0 99.6 0.078 0.078 0.000 1 0 no 0.082 0 0
1 45 ARG QB 148 no 60.0 51.4 0.166 0.324 0.157 5 0 no 0.818 0 4
1 46 ARG QB 190 no 25.0 99.5 0.072 0.073 0.000 2 0 no 0.072 0 0
1 47 ILE QG 80 yes 100.0 96.0 0.930 0.969 0.039 9 2 no 0.072 0 0
1 48 GLY QA 77 yes 95.0 78.6 1.418 1.804 0.385 9 1 no 0.084 0 0
1 49 PHE QB 132 yes 90.0 31.9 0.145 0.456 0.310 6 2 no 0.083 0 0
1 50 ASP QB 103 no 35.0 1.2 0.017 1.371 1.353 8 4 no 0.508 0 1
1 51 VAL QG 3 no 65.0 39.5 5.610 14.220 8.610 32 11 yes 2.217 48 78
1 52 VAL QG 11 no 60.0 30.9 2.729 8.820 6.092 24 10 yes 2.528 37 70
1 54 LEU QD 10 no 100.0 99.8 11.420 11.438 0.018 24 5 no 0.118 0 0
1 56 GLY QA 196 no 65.0 69.7 2.358 3.385 1.027 2 1 no 0.351 0 0
1 58 ARG QB 68 no 75.0 4.8 0.012 0.253 0.241 10 3 no 0.832 0 1
1 59 GLY QA 104 no 100.0 98.7 0.894 0.905 0.011 8 5 no 0.191 0 0
1 60 PRO QB 201 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 60 PRO QG 159 no 75.0 74.8 0.596 0.797 0.200 5 4 no 0.284 0 0
1 61 LEU QB 117 yes 100.0 92.1 1.730 1.878 0.148 7 3 no 0.074 0 0
1 61 LEU QD 12 no 65.0 26.2 1.945 7.422 5.476 23 11 yes 2.477 45 59
1 62 SER QB 61 no 65.0 39.4 1.279 3.242 1.963 11 5 yes 1.645 17 37
1 64 VAL QG 41 no 70.0 34.2 3.974 11.636 7.662 13 5 yes 3.949 36 44
1 65 GLY QA 158 no 75.0 24.6 0.559 2.276 1.717 5 4 no 0.133 0 0
1 66 LEU QB 119 no 65.0 99.5 0.225 0.227 0.001 7 4 no 0.075 0 0
1 66 LEU QD 58 no 65.0 1.4 0.004 0.260 0.256 11 4 yes 1.292 1 4
1 67 GLU QB 102 no 55.0 5.6 0.060 1.078 1.018 8 4 yes 1.374 10 13
1 68 PRO QB 142 yes 80.0 12.2 0.197 1.609 1.412 6 5 yes 1.695 14 15
1 68 PRO QD 88 yes 100.0 82.9 0.982 1.184 0.202 9 4 yes 0.671 0 10
1 68 PRO QG 200 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 69 PRO QB 169 no 85.0 56.9 0.017 0.029 0.012 4 4 no 0.124 0 0
1 69 PRO QD 90 yes 100.0 95.7 2.283 2.386 0.103 9 6 no 0.381 0 0
1 70 PRO QD 138 no 100.0 64.8 0.008 0.012 0.004 6 4 no 0.124 0 0
1 72 LYS QB 153 no 35.0 79.3 0.287 0.362 0.075 5 1 no 0.589 0 2
1 72 LYS QG 114 no 50.0 40.8 0.061 0.149 0.088 7 2 no 0.791 0 5
1 73 ARG QD 156 no 55.0 17.4 0.326 1.868 1.543 5 2 yes 1.166 2 13
1 73 ARG QG 165 no 95.0 61.5 0.002 0.003 0.001 4 0 no 0.125 0 0
1 74 GLU QB 128 no 25.0 47.3 0.008 0.017 0.009 6 0 no 0.254 0 0
1 75 CYS QB 113 yes 95.0 58.1 2.381 4.097 1.716 7 2 yes 1.707 2 2
1 76 ARG QB 109 yes 90.0 95.8 0.825 0.862 0.037 7 1 no 0.085 0 0
1 76 ARG QD 182 yes 100.0 99.4 1.147 1.154 0.007 3 2 no 0.083 0 0
1 77 VAL QG 33 yes 75.0 53.5 6.906 12.910 6.003 15 4 yes 2.757 21 29
1 79 GLN QB 152 no 55.0 5.4 0.188 3.480 3.291 5 1 yes 1.682 10 15
1 79 GLN QE 131 yes 95.0 69.4 0.825 1.188 0.363 6 2 no 0.510 0 1
1 80 TYR QB 72 no 100.0 44.8 0.456 1.018 0.562 10 5 no 0.000 0 0
1 81 VAL QG 19 no 50.0 8.5 0.452 5.336 4.885 20 5 yes 1.943 27 72
1 82 VAL QG 27 yes 100.0 96.1 9.802 10.199 0.397 17 5 no 0.126 0 0
1 83 ASP QB 56 no 100.0 97.7 2.419 2.476 0.057 11 3 no 0.117 0 0
1 84 LEU QD 5 yes 80.0 69.4 7.738 11.144 3.406 30 9 yes 2.137 18 27
1 86 SER QB 55 no 45.0 2.0 0.009 0.445 0.436 11 3 yes 1.206 3 10
1 87 PHE QB 50 no 100.0 66.0 5.511 8.356 2.845 12 5 no 0.091 0 0
1 88 GLU QB 127 yes 85.0 72.8 0.338 0.464 0.126 6 0 yes 1.093 1 3
1 89 GLN QB 57 no 65.0 5.3 0.027 0.504 0.477 11 4 no 0.988 0 13
1 89 GLN QE 135 no 60.0 52.0 0.538 1.035 0.497 6 3 yes 1.740 1 2
1 89 GLN QG 32 no 40.0 14.8 0.327 2.212 1.884 15 3 yes 1.487 6 9
1 90 LEU QB 89 no 80.0 61.8 0.076 0.122 0.047 9 5 no 0.660 0 2
1 90 LEU QD 1 no 70.0 46.6 4.378 9.387 5.008 40 16 yes 2.142 83 134
1 92 LEU QD 20 no 95.0 74.2 6.552 8.825 2.273 20 6 yes 1.289 3 8
1 93 PRO QB 189 yes 100.0 100.0 0.789 0.789 0.000 2 0 no 0.000 0 0
1 93 PRO QD 40 yes 100.0 99.4 1.860 1.870 0.010 13 3 no 0.072 0 0
1 93 PRO QG 195 no 85.0 100.0 0.407 0.407 0.000 2 1 no 0.000 0 0
1 94 VAL QG 6 no 55.0 24.0 1.089 4.543 3.454 28 11 yes 1.520 10 52
1 95 LEU QB 118 no 100.0 93.5 0.796 0.852 0.055 7 4 no 0.094 0 0
1 95 LEU QD 2 no 70.0 19.2 1.430 7.444 6.014 33 10 yes 1.821 60 119
1 96 ARG QB 126 no 55.0 33.0 0.002 0.006 0.004 6 0 no 0.182 0 0
1 96 ARG QG 164 no 75.0 21.6 0.005 0.024 0.019 4 0 no 0.312 0 0
1 97 ASN QB 94 no 95.0 96.4 0.707 0.734 0.026 8 2 no 0.626 0 1
1 97 ASN QD 181 no 95.0 99.9 1.561 1.563 0.002 3 2 no 0.081 0 0
1 99 ASP QB 172 yes 85.0 82.0 0.666 0.812 0.146 3 0 yes 1.150 1 3
1 102 SER QB 188 no 45.0 14.8 0.004 0.028 0.024 2 0 no 0.613 0 1
1 103 GLY QA 199 no 60.0 58.5 0.171 0.293 0.122 1 0 no 0.998 0 2
1 104 PRO QB 187 yes 100.0 99.9 0.893 0.895 0.001 2 0 no 0.078 0 0
1 106 GLN QB 93 yes 95.0 90.7 2.022 2.229 0.206 8 2 no 0.500 0 1
1 106 GLN QE 168 no 85.0 96.5 0.879 0.911 0.032 4 2 no 0.738 0 1
1 106 GLN QG 45 yes 90.0 97.7 1.025 1.050 0.025 12 2 no 0.545 0 1
1 107 ARG QG 106 yes 95.0 98.3 0.280 0.284 0.005 7 0 no 0.087 0 0
1 108 VAL QG 74 no 45.0 74.4 0.177 0.238 0.061 9 0 yes 1.038 1 6
1 109 CYS QB 35 yes 75.0 95.8 0.160 0.167 0.007 14 0 no 0.175 0 0
1 110 VAL QG 44 yes 95.0 99.6 10.092 10.129 0.036 12 2 no 0.597 0 1
1 112 ASP QB 67 yes 90.0 96.4 1.355 1.405 0.050 10 3 no 0.707 0 1
1 115 GLY QA 121 no 95.0 4.0 0.132 3.280 3.149 7 6 no 0.071 0 0
1 119 LEU QD 73 yes 80.0 70.8 1.417 2.001 0.584 9 0 yes 1.853 4 9
1 120 PHE QB 101 no 55.0 9.1 0.001 0.008 0.007 8 4 no 0.000 0 0
1 121 SER QB 130 no 30.0 3.1 0.006 0.201 0.195 6 1 no 0.175 0 0
1 122 GLN QE 176 yes 100.0 98.7 1.260 1.276 0.016 3 1 no 0.118 0 0
1 123 LEU QB 108 no 100.0 100.0 0.001 0.001 0.000 7 1 no 0.073 0 0
1 126 GLN QE 163 yes 100.0 99.5 0.276 0.278 0.002 4 0 no 0.104 0 0
1 126 GLN QG 62 yes 100.0 99.4 0.800 0.805 0.005 10 0 no 0.134 0 0
1 128 VAL QG 7 no 75.0 86.1 7.622 8.850 1.228 27 2 yes 1.747 6 21
1 129 ARG QB 125 no 70.0 47.6 0.157 0.330 0.173 6 0 yes 1.311 4 4
1 130 GLN QB 87 no 100.0 99.7 2.537 2.544 0.006 9 4 no 0.092 0 0
1 130 GLN QE 157 no 95.0 99.1 0.608 0.613 0.005 5 3 no 0.092 0 0
1 130 GLN QG 54 yes 85.0 98.5 0.568 0.577 0.009 11 3 no 0.095 0 0
1 132 LEU QB 100 no 25.0 96.8 0.006 0.006 0.000 8 4 no 0.058 0 0
1 132 LEU QD 9 no 80.0 90.2 4.312 4.778 0.466 26 8 yes 1.415 2 11
1 133 SER QB 162 no 80.0 98.9 0.889 0.899 0.010 4 0 no 0.301 0 0
1 135 PRO QB 194 no 100.0 99.5 1.353 1.360 0.007 2 1 no 0.103 0 0
1 135 PRO QD 147 yes 100.0 97.9 0.250 0.255 0.005 5 0 no 0.090 0 0
1 135 PRO QG 171 no 35.0 54.1 0.004 0.008 0.004 3 0 no 0.273 0 0
1 136 GLY QA 137 yes 95.0 99.3 0.200 0.201 0.001 6 4 no 0.080 0 0
1 138 ILE QG 76 yes 100.0 98.5 2.086 2.119 0.032 9 1 no 0.738 0 1
1 140 LEU QB 60 no 75.0 87.2 0.554 0.635 0.081 11 5 no 0.049 0 0
1 140 LEU QD 23 no 55.0 19.8 0.999 5.057 4.058 18 7 yes 2.144 30 60
1 141 GLY QA 30 no 100.0 99.1 1.529 1.543 0.014 15 1 no 0.105 0 0
1 143 ILE QG 51 no 70.0 65.9 0.323 0.490 0.167 11 1 yes 1.235 3 11
1 144 PRO QB 175 no 50.0 86.2 0.499 0.578 0.080 3 1 no 0.217 0 0
1 144 PRO QG 141 no 90.0 74.2 1.070 1.441 0.371 6 5 no 0.071 0 0
1 145 VAL QG 24 no 40.0 15.6 0.370 2.373 2.003 18 8 yes 1.777 6 32
1 146 PRO QB 186 no 60.0 95.4 0.036 0.037 0.002 2 0 no 0.079 0 0
1 146 PRO QD 86 yes 100.0 86.5 0.725 0.838 0.113 9 4 no 0.034 0 0
1 146 PRO QG 185 no 95.0 85.4 0.044 0.052 0.008 2 0 no 0.094 0 0
1 147 LYS QG 146 no 45.0 23.9 0.003 0.014 0.011 5 0 no 0.344 0 0
1 148 GLY QA 174 no 65.0 35.3 0.226 0.639 0.414 3 1 no 0.815 0 3
1 149 LYS QB 180 no 65.0 43.6 0.068 0.156 0.088 3 2 no 0.842 0 2
1 149 LYS QE 140 no 60.0 3.6 0.041 1.156 1.115 6 5 yes 1.604 5 10
1 149 LYS QG 85 no 75.0 64.9 0.323 0.497 0.174 9 4 no 0.982 0 4
1 150 PRO QB 161 no 30.0 93.3 0.007 0.008 0.001 4 0 no 0.077 0 0
1 150 PRO QD 99 yes 75.0 33.6 0.226 0.673 0.447 8 4 yes 1.271 4 9
1 151 LEU QB 98 yes 100.0 99.3 0.744 0.749 0.005 8 3 no 0.096 0 0
1 151 LEU QD 71 no 65.0 44.6 1.732 3.881 2.149 10 5 yes 2.618 22 42
1 154 VAL QG 18 yes 100.0 99.7 1.032 1.036 0.003 20 2 no 0.105 0 0
1 155 GLU QB 112 yes 100.0 99.8 3.199 3.206 0.006 7 2 no 0.094 0 0
1 156 GLU QB 124 no 85.0 32.2 0.036 0.111 0.075 6 0 no 0.766 0 4
1 156 GLU QG 64 no 60.0 28.6 0.418 1.463 1.045 10 1 yes 1.651 7 9
1 158 ARG QB 63 no 100.0 99.8 4.001 4.008 0.007 10 1 no 0.091 0 0
1 158 ARG QG 145 no 40.0 46.3 0.053 0.115 0.062 5 0 no 0.771 0 5
1 159 ASN QB 84 yes 95.0 83.0 0.611 0.736 0.125 9 4 no 0.577 0 1
1 159 ASN QD 70 no 100.0 93.3 1.806 1.936 0.130 10 5 no 0.065 0 0
1 160 ARG QD 42 no 65.0 12.1 0.543 4.507 3.964 13 6 yes 1.484 4 8
1 160 ARG QG 111 no 85.0 66.8 1.212 1.815 0.603 7 2 no 0.979 0 6
1 161 LYS QB 184 no 10.0 100.0 0.002 0.002 0.000 2 0 no 0.000 0 0
1 161 LYS QG 123 no 55.0 13.4 0.028 0.207 0.179 6 0 yes 1.204 1 4
1 162 ASP QB 151 no 70.0 54.6 0.575 1.054 0.479 5 1 yes 1.619 3 9
1 163 VAL QG 4 no 60.0 22.3 2.451 10.985 8.534 30 9 yes 2.555 41 82
1 164 LYS QB 75 no 80.0 89.4 0.071 0.080 0.008 9 1 no 0.110 0 0
1 164 LYS QE 48 no 55.0 45.5 0.150 0.329 0.179 12 4 no 0.911 0 3
1 164 LYS QG 83 yes 95.0 95.3 0.449 0.471 0.022 9 4 no 0.550 0 1
1 165 VAL QG 39 no 70.0 34.8 0.809 2.328 1.519 13 3 yes 1.171 17 66
1 166 PHE QB 47 no 70.0 10.5 0.148 1.402 1.254 12 4 no 0.081 0 0
1 167 ASN QB 129 yes 100.0 99.7 1.952 1.957 0.006 6 1 no 0.118 0 0
1 167 ASN QD 79 no 100.0 99.2 0.915 0.922 0.007 9 2 no 0.093 0 0
1 168 VAL QG 8 no 100.0 73.5 4.506 6.127 1.621 26 6 no 0.949 0 7
1 170 LYS QB 144 no 60.0 80.2 0.001 0.002 0.000 5 0 no 0.058 0 0
1 170 LYS QG 91 no 65.0 49.7 0.656 1.318 0.663 8 0 yes 1.698 13 13
1 171 GLU QB 170 yes 90.0 100.0 0.113 0.113 0.000 3 0 no 0.023 0 0
1 171 GLU QG 122 no 60.0 40.8 0.065 0.159 0.094 6 0 no 0.821 0 2
1 172 ASN QB 193 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 172 ASN QD 52 yes 100.0 99.1 0.423 0.427 0.004 11 2 no 0.093 0 0
1 173 ARG QB 155 no 45.0 60.4 0.306 0.506 0.201 5 2 yes 1.278 5 9
1 174 ASN QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 174 ASN QD 198 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.057 0 0
1 175 HIS QB 105 no 95.0 98.5 0.683 0.693 0.010 7 0 no 0.249 0 0
1 176 LEU QB 43 no 100.0 96.1 1.458 1.516 0.058 12 2 no 0.112 0 0
1 177 LEU QB 120 no 100.0 92.3 0.088 0.095 0.007 7 5 no 0.000 0 0
1 177 LEU QD 15 no 65.0 11.7 0.789 6.719 5.930 22 7 yes 1.818 39 70
1 178 PRO QB 197 yes 100.0 99.3 0.730 0.735 0.005 1 0 no 0.083 0 0
1 180 ILE QG 28 no 100.0 74.5 1.940 2.604 0.664 16 4 no 0.081 0 0
1 181 VAL QG 13 yes 100.0 98.2 24.049 24.494 0.445 22 1 yes 1.461 5 7
1 183 CYS QB 31 no 100.0 98.4 0.588 0.597 0.009 15 3 no 0.101 0 0
1 184 VAL QG 22 yes 90.0 97.6 14.266 14.619 0.354 18 3 yes 1.778 2 6
1 185 GLN QB 166 no 60.0 93.1 0.002 0.002 0.000 4 1 no 0.055 0 0
1 185 GLN QE 179 no 65.0 60.3 0.955 1.583 0.628 3 2 yes 1.585 4 5
1 188 ARG QB 143 no 70.0 14.3 0.001 0.007 0.006 5 0 no 0.124 0 0
1 189 LYS QB 150 no 45.0 20.7 0.087 0.420 0.333 5 1 yes 1.357 2 6
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