NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400088 |
1ujo   |
10068 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1ujo
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 192
_Stereo_assign_list.Swap_count 5
_Stereo_assign_list.Swap_percentage 2.6
_Stereo_assign_list.Deassign_count 17
_Stereo_assign_list.Deassign_percentage 8.9
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 45.381
_Stereo_assign_list.Total_e_high_states 538.022
_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 8 GLU QB 95 no 100.0 100.0 1.552 1.552 0.000 7 0 no 0.034 0 0
1 10 LEU QB 133 no 35.0 100.0 0.268 0.268 0.000 5 2 no 0.002 0 0
1 10 LEU QD 46 no 65.0 49.0 1.708 3.487 1.779 11 5 yes 1.990 12 14
1 11 GLU QB 128 no 45.0 96.4 0.010 0.010 0.000 5 0 no 0.086 0 0
1 12 GLU QB 104 no 100.0 98.4 0.224 0.227 0.004 7 3 no 0.068 0 0
1 12 GLU QG 82 no 100.0 99.1 0.540 0.545 0.005 8 3 no 0.080 0 0
1 13 ARG QB 131 no 15.0 82.6 0.014 0.017 0.003 5 1 no 0.161 0 0
1 13 ARG QD 192 no 5.0 80.8 0.002 0.002 0.000 1 1 no 0.087 0 0
1 13 ARG QG 168 no 75.0 92.3 0.080 0.087 0.007 3 0 no 0.366 0 0
1 14 LEU QB 22 no 100.0 73.9 4.178 5.655 1.478 15 5 yes 2.352 7 7
1 14 LEU QD 4 no 65.0 38.3 5.587 14.586 9.000 28 11 yes 2.081 96 192
1 15 VAL QG 16 no 100.0 99.7 13.723 13.764 0.041 21 9 no 0.545 0 2
1 16 GLU QB 60 no 100.0 94.1 0.046 0.049 0.003 9 0 no 0.071 0 0
1 17 TRP QB 94 no 95.0 100.0 0.048 0.048 0.000 7 0 no 0.000 0 0
1 18 ILE QG 103 no 100.0 100.0 1.301 1.301 0.000 7 3 no 0.028 0 0
1 19 VAL QG 24 no 100.0 100.0 12.612 12.615 0.003 14 1 no 0.105 0 0
1 20 VAL QG 17 no 100.0 99.6 10.734 10.781 0.047 20 6 no 0.444 0 0
1 21 GLN QB 37 no 90.0 93.1 0.551 0.592 0.041 12 5 no 0.576 0 2
1 21 GLN QE 69 no 100.0 98.6 2.795 2.835 0.040 9 6 no 0.576 0 2
1 21 GLN QG 79 no 40.0 70.1 0.013 0.018 0.005 8 2 no 0.438 0 0
1 22 CYS QB 86 no 60.0 100.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 23 GLY QA 162 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 24 PRO QD 134 no 100.0 99.6 0.299 0.300 0.001 5 4 no 0.076 0 0
1 25 ASP QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 26 VAL QG 11 no 100.0 100.0 15.763 15.765 0.001 23 7 no 0.094 0 0
1 27 GLY QA 93 no 100.0 100.0 2.837 2.838 0.001 7 0 no 0.055 0 0
1 28 ARG QB 88 no 85.0 65.7 0.483 0.734 0.252 8 6 no 0.378 0 0
1 28 ARG QD 122 no 65.0 7.6 0.083 1.089 1.006 6 6 yes 1.822 7 7
1 28 ARG QG 121 no 15.0 42.8 0.157 0.366 0.209 6 4 no 0.681 0 5
1 29 PRO QB 40 no 100.0 100.0 0.729 0.729 0.000 11 2 no 0.015 0 0
1 29 PRO QD 39 no 100.0 68.9 0.984 1.429 0.444 12 7 yes 1.286 3 9
1 29 PRO QG 160 no 100.0 59.2 1.366 2.307 0.941 4 3 no 0.085 0 0
1 30 ASP QB 148 no 75.0 36.0 0.033 0.092 0.059 4 0 no 0.501 0 1
1 31 ARG QB 112 no 55.0 29.8 0.018 0.059 0.042 6 0 no 0.335 0 0
1 31 ARG QG 127 no 45.0 61.7 0.038 0.062 0.024 5 0 no 0.373 0 0
1 33 ARG QB 92 no 55.0 27.3 0.003 0.010 0.007 7 0 no 0.256 0 0
1 34 LEU QB 101 no 70.0 47.9 0.028 0.058 0.030 7 2 no 0.307 0 0
1 34 LEU QD 132 no 70.0 78.4 0.713 0.909 0.196 5 2 yes 1.171 8 21
1 35 GLY QA 182 no 100.0 100.0 1.626 1.626 0.000 2 1 no 0.000 0 0
1 36 PHE QB 126 no 30.0 11.7 0.002 0.015 0.013 5 0 no 0.540 0 1
1 37 GLN QB 78 no 100.0 99.9 1.560 1.562 0.002 8 2 no 0.104 0 0
1 37 GLN QE 19 no 100.0 99.6 0.932 0.936 0.004 19 13 no 0.147 0 0
1 37 GLN QG 38 no 90.0 95.1 0.208 0.218 0.011 12 7 no 0.229 0 0
1 38 VAL QG 77 no 100.0 100.0 3.843 3.843 0.000 8 2 no 0.012 0 0
1 39 TRP QB 25 no 100.0 100.0 2.661 2.662 0.001 14 3 no 0.087 0 0
1 40 LEU QB 87 no 100.0 100.0 0.247 0.247 0.000 8 6 no 0.000 0 0
1 40 LEU QD 12 no 100.0 100.0 14.146 14.146 0.000 23 9 no 0.028 0 0
1 41 LYS QB 41 no 100.0 100.0 0.461 0.461 0.000 11 3 no 0.001 0 0
1 41 LYS QD 108 no 80.0 100.0 0.147 0.147 0.000 7 5 no 0.000 0 0
1 41 LYS QE 159 no 65.0 76.4 0.071 0.093 0.022 4 3 no 0.948 0 1
1 41 LYS QG 32 no 100.0 98.5 0.747 0.759 0.012 13 5 no 0.320 0 0
1 42 ASN QB 68 no 80.0 34.3 0.049 0.142 0.093 9 5 no 0.841 0 5
1 42 ASN QD 57 no 65.0 65.7 0.253 0.385 0.132 10 10 yes 1.146 1 3
1 43 GLY QA 187 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 44 VAL QG 21 no 100.0 99.8 19.248 19.285 0.038 17 10 no 0.669 0 1
1 45 ILE QG 73 no 95.0 100.0 0.358 0.358 0.000 8 1 no 0.026 0 0
1 46 LEU QB 85 no 10.0 100.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 46 LEU QD 8 no 100.0 100.0 18.598 18.599 0.000 26 13 no 0.014 0 0
1 47 SER QB 76 no 60.0 8.9 0.085 0.958 0.873 8 2 yes 1.091 1 17
1 48 LYS QB 45 no 100.0 99.9 0.106 0.106 0.000 11 5 no 0.037 0 0
1 48 LYS QD 47 no 100.0 84.9 2.337 2.753 0.416 11 8 no 0.005 0 0
1 48 LYS QE 136 no 85.0 1.5 0.003 0.232 0.228 5 5 no 0.170 0 0
1 48 LYS QG 44 no 100.0 100.0 0.684 0.684 0.000 11 5 no 0.002 0 0
1 49 LEU QB 36 no 100.0 100.0 0.216 0.216 0.000 12 5 no 0.028 0 0
1 49 LEU QD 7 no 100.0 100.0 23.609 23.611 0.002 26 11 no 0.067 0 0
1 50 VAL QG 13 no 100.0 100.0 20.453 20.453 0.000 22 4 no 0.023 0 0
1 51 ASN QB 50 no 100.0 100.0 0.993 0.993 0.000 10 2 no 0.018 0 0
1 51 ASN QD 33 no 100.0 21.0 0.862 4.112 3.250 13 7 no 0.009 0 0
1 52 SER QB 178 no 60.0 100.0 0.001 0.001 0.000 2 0 no 0.000 0 0
1 53 LEU QB 55 no 100.0 100.0 1.083 1.083 0.000 10 4 no 0.000 0 0
1 53 LEU QD 15 no 100.0 99.9 18.398 18.419 0.021 21 8 no 0.630 0 1
1 54 TYR QB 117 no 100.0 100.0 4.147 4.147 0.000 6 3 no 0.007 0 0
1 55 PRO QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 55 PRO QD 170 no 100.0 95.5 0.327 0.342 0.015 3 1 no 0.185 0 0
1 55 PRO QG 171 no 100.0 100.0 3.680 3.680 0.000 3 2 no 0.046 0 0
1 58 SER QB 65 no 100.0 99.7 0.123 0.123 0.000 9 4 no 0.062 0 0
1 59 LYS QB 153 no 90.0 87.0 0.641 0.736 0.096 4 1 no 0.849 0 2
1 59 LYS QD 72 no 40.0 76.5 0.056 0.073 0.017 8 1 no 0.849 0 2
1 59 LYS QE 147 no 50.0 4.7 0.073 1.532 1.459 4 0 yes 1.652 12 18
1 60 PRO QB 181 no 100.0 100.0 0.313 0.313 0.000 2 1 no 0.000 0 0
1 60 PRO QD 59 no 100.0 99.9 0.082 0.082 0.000 9 0 no 0.024 0 0
1 60 PRO QG 100 no 100.0 100.0 1.903 1.903 0.000 7 2 no 0.022 0 0
1 61 VAL QG 6 no 100.0 99.7 19.619 19.670 0.051 27 12 yes 1.004 1 1
1 62 LYS QG 146 no 50.0 22.0 0.096 0.438 0.342 4 0 yes 1.039 1 8
1 63 VAL QG 18 no 50.0 13.2 1.159 8.782 7.623 19 11 yes 2.299 54 80
1 64 PRO QB 176 yes 100.0 100.0 0.154 0.154 0.000 2 0 no 0.018 0 0
1 64 PRO QD 84 no 100.0 18.8 0.412 2.193 1.780 8 4 no 0.104 0 0
1 64 PRO QG 191 no 90.0 100.0 0.941 0.941 0.000 1 1 no 0.020 0 0
1 65 GLU QG 189 no 5.0 25.2 0.001 0.003 0.003 1 0 no 0.189 0 0
1 66 ASN QB 158 no 40.0 51.6 0.135 0.261 0.126 4 3 no 0.857 0 10
1 66 ASN QD 190 no 100.0 100.0 0.003 0.003 0.000 1 1 no 0.172 0 0
1 67 PRO QB 89 no 5.0 12.4 0.000 0.000 0.000 8 8 no 0.022 0 0
1 67 PRO QD 154 yes 100.0 29.5 0.108 0.366 0.258 4 2 no 0.857 0 10
1 67 PRO QG 180 no 25.0 19.0 0.019 0.100 0.081 2 1 no 0.000 0 0
1 68 PRO QD 157 no 100.0 100.0 0.349 0.349 0.000 4 3 no 0.000 0 0
1 69 SER QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 MET QB 174 no 85.0 89.1 0.158 0.177 0.019 2 0 no 0.443 0 0
1 70 MET QG 145 no 15.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 VAL QG 49 no 85.0 89.8 5.133 5.714 0.581 10 0 yes 1.491 4 11
1 72 PHE QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 LYS QB 152 no 65.0 25.0 0.155 0.619 0.465 4 1 no 0.023 0 0
1 73 LYS QG 111 no 80.0 100.0 0.022 0.022 0.000 6 0 no 0.004 0 0
1 74 GLN QB 58 no 100.0 100.0 3.279 3.279 0.000 9 0 no 0.019 0 0
1 74 GLN QE 102 no 45.0 37.2 0.084 0.225 0.141 7 3 no 0.841 0 5
1 74 GLN QG 63 no 65.0 58.1 1.033 1.777 0.744 9 2 yes 1.498 5 16
1 75 MET QB 169 no 85.0 100.0 0.018 0.018 0.000 3 1 no 0.000 0 0
1 75 MET QG 130 no 80.0 99.0 1.347 1.361 0.014 5 1 no 0.288 0 0
1 76 GLU QB 143 no 100.0 100.0 0.082 0.082 0.000 4 0 no 0.000 0 0
1 76 GLU QG 142 no 100.0 100.0 1.393 1.393 0.000 4 0 no 0.000 0 0
1 77 GLN QB 98 no 60.0 51.1 0.265 0.518 0.253 7 1 no 0.689 0 13
1 77 GLN QE 67 no 95.0 90.6 0.489 0.540 0.051 9 5 no 0.960 0 1
1 77 GLN QG 116 no 50.0 17.0 0.005 0.028 0.023 6 3 no 0.263 0 0
1 78 VAL QG 10 no 100.0 99.5 26.412 26.542 0.131 25 10 no 0.642 0 7
1 80 GLN QB 66 no 100.0 100.0 0.071 0.071 0.000 9 5 no 0.000 0 0
1 80 GLN QE 114 no 100.0 100.0 3.137 3.137 0.000 6 2 no 0.008 0 0
1 80 GLN QG 125 no 100.0 100.0 0.561 0.561 0.000 5 0 no 0.014 0 0
1 81 PHE QB 110 no 100.0 99.9 1.163 1.164 0.001 6 0 no 0.047 0 0
1 82 LEU QB 31 no 100.0 100.0 2.182 2.182 0.000 13 5 no 0.040 0 0
1 82 LEU QD 3 no 100.0 100.0 19.009 19.010 0.000 31 6 no 0.035 0 0
1 86 GLU QB 167 no 100.0 70.2 0.005 0.007 0.002 3 0 no 0.319 0 0
1 86 GLU QG 141 no 60.0 98.1 0.351 0.358 0.007 4 0 no 0.174 0 0
1 88 TYR QB 42 no 100.0 99.9 0.035 0.035 0.000 11 4 no 0.271 0 0
1 89 GLY QA 161 no 100.0 99.9 0.158 0.159 0.000 4 4 no 0.030 0 0
1 90 VAL QG 9 no 100.0 99.6 32.332 32.476 0.144 25 8 no 0.715 0 6
1 91 ILE QG 28 no 90.0 70.2 0.436 0.621 0.185 13 2 no 0.776 0 7
1 92 LYS QB 166 yes 85.0 77.2 0.164 0.212 0.048 3 0 no 0.563 0 3
1 92 LYS QG 140 no 65.0 36.0 0.037 0.104 0.067 4 0 no 0.774 0 4
1 94 ASP QB 35 no 30.0 63.6 0.242 0.380 0.138 12 4 no 0.776 0 14
1 95 MET QB 124 no 100.0 100.0 0.861 0.861 0.000 5 0 no 0.023 0 0
1 95 MET QG 99 no 95.0 99.0 0.074 0.075 0.001 7 2 no 0.052 0 0
1 96 PHE QB 53 no 100.0 99.8 0.091 0.091 0.000 10 3 no 0.029 0 0
1 97 GLN QB 52 yes 90.0 40.6 1.220 3.005 1.785 10 3 no 0.121 0 0
1 97 GLN QE 186 no 100.0 100.0 0.000 0.000 0.000 2 2 no 0.010 0 0
1 97 GLN QG 64 no 90.0 99.0 0.006 0.006 0.000 9 4 no 0.033 0 0
1 99 VAL QG 20 no 70.0 54.1 3.683 6.812 3.129 18 4 yes 1.636 48 76
1 100 ASP QB 26 no 100.0 100.0 1.560 1.560 0.000 14 4 no 0.015 0 0
1 101 LEU QB 27 no 55.0 11.3 0.010 0.093 0.082 14 7 no 0.587 0 3
1 101 LEU QD 2 no 100.0 100.0 20.516 20.517 0.001 34 17 no 0.050 0 0
1 102 TYR QB 48 no 60.0 91.5 0.074 0.081 0.007 10 0 no 0.167 0 0
1 103 GLU QB 81 no 85.0 99.9 0.191 0.191 0.000 8 3 no 0.039 0 0
1 103 GLU QG 151 no 100.0 61.1 1.441 2.360 0.919 4 1 no 0.000 0 0
1 104 GLY QA 120 no 100.0 100.0 1.476 1.476 0.000 6 4 no 0.014 0 0
1 105 LYS QB 71 no 75.0 98.6 0.135 0.137 0.002 8 1 no 0.188 0 0
1 105 LYS QG 75 no 60.0 74.0 0.025 0.034 0.009 8 2 no 0.224 0 0
1 106 ASP QB 97 no 75.0 98.6 0.513 0.520 0.007 7 1 no 0.289 0 0
1 107 MET QB 150 no 30.0 100.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 107 MET QG 113 no 65.0 19.8 0.012 0.063 0.050 6 1 no 0.529 0 2
1 110 VAL QG 1 no 100.0 100.0 30.008 30.008 0.000 35 12 no 0.020 0 0
1 111 GLN QB 62 no 100.0 90.1 4.373 4.851 0.478 9 2 no 0.066 0 0
1 111 GLN QE 106 no 60.0 100.0 0.045 0.045 0.000 7 4 no 0.000 0 0
1 111 GLN QG 56 no 100.0 30.8 0.961 3.124 2.163 10 5 no 0.013 0 0
1 112 ARG QB 54 no 40.0 51.1 0.004 0.007 0.003 10 4 no 0.156 0 0
1 112 ARG QD 119 no 80.0 89.2 0.006 0.007 0.001 6 4 no 0.156 0 0
1 112 ARG QG 139 no 55.0 54.7 0.153 0.280 0.127 4 0 no 0.581 0 7
1 114 LEU QB 83 no 95.0 78.6 0.459 0.583 0.125 8 4 no 0.000 0 0
1 114 LEU QD 23 no 100.0 100.0 13.769 13.769 0.000 15 6 no 0.038 0 0
1 115 MET QG 43 no 85.0 65.9 0.253 0.384 0.131 11 5 no 0.083 0 0
1 117 LEU QB 51 no 100.0 100.0 2.465 2.465 0.000 10 3 no 0.034 0 0
1 117 LEU QD 30 no 100.0 100.0 16.748 16.750 0.002 13 4 no 0.066 0 0
1 118 GLY QA 123 no 100.0 99.9 0.308 0.308 0.000 5 0 no 0.039 0 0
1 119 SER QB 129 no 100.0 100.0 0.850 0.850 0.000 5 1 no 0.002 0 0
1 120 LEU QB 29 no 100.0 100.0 1.094 1.094 0.000 13 3 no 0.000 0 0
1 120 LEU QD 5 no 100.0 100.0 28.230 28.232 0.003 27 10 no 0.130 0 0
1 122 VAL QG 14 no 100.0 100.0 5.753 5.754 0.001 21 4 no 0.131 0 0
1 124 LYS QB 91 no 100.0 100.0 1.496 1.496 0.000 7 0 no 0.067 0 0
1 124 LYS QD 188 no 75.0 26.5 0.030 0.113 0.083 1 0 no 0.683 0 4
1 124 LYS QE 135 no 85.0 79.6 0.086 0.108 0.022 5 5 no 0.649 0 1
1 124 LYS QG 80 no 90.0 84.6 0.135 0.160 0.025 8 3 no 0.649 0 1
1 125 ASN QB 156 no 85.0 3.6 0.000 0.001 0.001 4 3 no 0.143 0 0
1 125 ASN QD 172 no 100.0 98.5 0.092 0.094 0.001 3 3 no 0.143 0 0
1 126 ASP QB 165 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 127 GLY QA 185 no 85.0 88.0 0.713 0.810 0.097 2 2 no 0.000 0 0
1 128 ASN QB 34 no 90.0 93.2 1.337 1.435 0.098 12 4 no 0.727 0 3
1 128 ASN QD 107 no 95.0 54.1 0.115 0.212 0.097 7 5 yes 1.386 1 1
1 129 TYR QB 109 no 85.0 99.5 0.704 0.708 0.004 6 0 no 0.235 0 0
1 130 ARG QB 74 no 95.0 99.9 1.159 1.160 0.001 8 2 no 0.151 0 0
1 130 ARG QG 96 no 95.0 89.5 0.119 0.133 0.014 7 1 no 0.324 0 0
1 131 GLY QA 105 no 65.0 71.6 0.032 0.045 0.013 7 4 no 0.444 0 0
1 132 ASP QB 70 no 55.0 69.6 0.086 0.123 0.037 8 0 no 0.645 0 5
1 133 PRO QB 155 no 65.0 97.4 0.033 0.033 0.001 4 3 no 0.131 0 0
1 133 PRO QD 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 133 PRO QG 179 no 95.0 100.0 0.474 0.474 0.000 2 1 no 0.002 0 0
1 134 ASN QB 115 no 80.0 68.4 0.018 0.026 0.008 6 3 no 0.201 0 0
1 134 ASN QD 118 no 95.0 100.0 0.141 0.142 0.000 6 4 no 0.020 0 0
1 135 TRP QB 90 no 50.0 100.0 0.024 0.024 0.000 7 0 no 0.007 0 0
1 136 PHE QB 61 no 100.0 99.5 0.404 0.406 0.002 9 2 no 0.094 0 0
1 137 MET QB 137 yes 80.0 98.5 0.234 0.238 0.004 4 0 no 0.240 0 0
1 137 MET QG 164 no 45.0 61.5 0.023 0.037 0.014 3 0 no 0.381 0 0
1 138 LYS QB 163 no 45.0 33.3 0.089 0.267 0.178 3 0 yes 1.049 1 5
1 138 LYS QG 173 no 100.0 100.0 0.007 0.007 0.000 2 0 no 0.313 0 0
1 140 GLY QA 184 no 85.0 100.0 0.072 0.072 0.000 2 2 no 0.000 0 0
1 141 PRO QD 183 no 75.0 100.0 0.049 0.049 0.000 2 2 no 0.000 0 0
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