NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597914 |
2n7z   |
25828 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2n7z
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 187
_Stereo_assign_list.Swap_count 30
_Stereo_assign_list.Swap_percentage 16.0
_Stereo_assign_list.Deassign_count 41
_Stereo_assign_list.Deassign_percentage 21.9
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 225.099
_Stereo_assign_list.Total_e_high_states 360.163
_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 1 GLY QA 44 no 50.0 39.7 0.074 0.187 0.113 9 2 no 0.599 0 1
1 2 ILE QG 148 yes 90.0 90.5 1.214 1.341 0.127 3 0 no 0.524 0 1
1 4 GLN QB 125 no 60.0 59.4 0.027 0.045 0.018 4 0 no 0.274 0 0
1 4 GLN QE 15 no 40.0 34.1 0.098 0.289 0.190 18 4 no 0.877 0 2
1 4 GLN QG 47 no 100.0 0.0 0.000 0.084 0.084 9 3 no 0.507 0 1
1 5 GLN QB 124 no 100.0 82.7 0.819 0.990 0.172 4 0 no 0.597 0 1
1 5 GLN QE 123 no 0.0 0.0 0.000 0.429 0.429 4 0 no 0.669 0 5
1 5 GLN QG 68 no 100.0 94.0 0.968 1.030 0.062 7 1 no 0.408 0 0
1 6 TRP QB 18 no 100.0 93.7 0.086 0.092 0.006 18 6 no 0.362 0 0
1 7 ILE QG 34 no 40.0 67.0 0.038 0.057 0.019 10 0 no 0.370 0 0
1 8 GLN QB 100 no 100.0 100.0 0.437 0.437 0.000 5 0 no 0.000 0 0
1 8 GLN QE 150 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 8 GLN QG 128 yes 100.0 100.0 0.487 0.487 0.000 4 1 no 0.000 0 0
1 9 SER QB 78 no 30.0 99.4 0.612 0.615 0.003 6 0 no 0.139 0 0
1 10 LYS QB 39 no 30.0 16.6 0.019 0.117 0.098 9 0 no 0.420 0 0
1 10 LYS QD 99 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 10 LYS QE 122 no 70.0 56.3 0.425 0.754 0.330 4 0 yes 1.210 5 7
1 10 LYS QG 77 no 0.0 0.0 0.000 0.288 0.288 6 0 no 0.876 0 2
1 11 ARG QB 66 no 80.0 14.7 0.011 0.078 0.066 7 0 no 0.364 0 0
1 11 ARG QD 173 no 20.0 97.7 0.043 0.044 0.001 2 0 no 0.099 0 0
1 11 ARG QG 121 no 50.0 61.4 1.140 1.857 0.717 4 0 yes 1.127 1 10
1 12 GLU QB 120 no 70.0 63.5 0.078 0.123 0.045 4 0 no 0.330 0 0
1 12 GLU QG 119 no 10.0 100.0 0.079 0.079 0.000 4 0 no 0.000 0 0
1 13 ASP QB 105 yes 90.0 91.9 1.425 1.551 0.126 5 2 no 0.659 0 1
1 14 ILE QG 103 yes 100.0 100.0 0.103 0.103 0.000 5 1 no 0.000 0 0
1 15 VAL QG 11 no 100.0 97.9 3.799 3.878 0.080 20 1 no 0.522 0 3
1 16 ASN QB 127 no 90.0 29.8 0.016 0.053 0.038 4 1 no 0.376 0 0
1 16 ASN QD 187 yes 100.0 97.1 0.529 0.545 0.016 1 0 no 0.398 0 0
1 17 GLN QB 50 no 100.0 0.0 0.000 0.038 0.038 9 5 no 0.345 0 0
1 17 GLN QE 38 no 70.0 78.3 5.641 7.206 1.565 10 7 no 0.659 0 1
1 17 GLN QG 147 no 30.0 54.9 0.215 0.393 0.177 3 0 no 0.694 0 2
1 18 MET QB 33 no 100.0 0.0 0.000 0.131 0.131 10 0 no 0.542 0 1
1 18 MET QG 67 no 90.0 9.1 0.003 0.034 0.031 7 1 no 0.310 0 0
1 20 GLU QB 146 yes 100.0 100.0 0.214 0.214 0.000 3 0 no 0.000 0 0
1 20 GLU QG 27 no 100.0 74.8 3.327 4.448 1.121 13 6 no 0.641 0 1
1 22 CYS QB 65 yes 100.0 93.0 0.533 0.573 0.040 7 0 no 0.210 0 0
1 23 LEU QB 118 no 100.0 100.0 0.287 0.287 0.000 4 0 no 0.000 0 0
1 23 LEU QD 24 no 20.0 0.5 0.003 0.500 0.498 14 2 yes 1.145 1 6
1 24 ASN QB 145 no 20.0 85.6 0.034 0.039 0.006 3 0 no 0.196 0 0
1 24 ASN QD 174 yes 100.0 100.0 0.903 0.903 0.000 2 1 no 0.000 0 0
1 25 GLN QB 172 no 100.0 0.0 0.000 0.025 0.025 2 0 no 0.275 0 0
1 25 GLN QE 186 no 100.0 100.0 0.247 0.247 0.000 1 0 no 0.000 0 0
1 25 GLN QG 117 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.113 0 0
1 26 SER QB 116 no 80.0 60.3 0.038 0.064 0.025 4 0 no 0.393 0 0
1 27 LEU QB 49 yes 100.0 32.8 0.205 0.625 0.420 9 4 no 0.000 0 0
1 27 LEU QD 20 no 100.0 94.4 1.132 1.199 0.067 17 4 no 0.333 0 0
1 28 ASP QB 83 yes 100.0 82.1 1.278 1.557 0.279 6 1 no 0.287 0 0
1 30 LEU QB 64 no 100.0 87.3 0.143 0.164 0.021 7 0 no 0.186 0 0
1 30 LEU QD 10 no 100.0 99.8 1.017 1.019 0.002 21 8 no 0.124 0 0
1 31 LEU QB 63 no 80.0 46.9 0.234 0.499 0.265 7 0 no 0.574 0 4
1 31 LEU QD 12 no 70.0 67.5 4.965 7.359 2.394 19 6 yes 2.211 21 22
1 32 SER QB 98 no 70.0 100.0 0.168 0.168 0.000 5 0 no 0.000 0 0
1 33 ARG QB 26 no 100.0 9.4 0.041 0.431 0.390 13 2 no 0.794 0 3
1 33 ARG QD 57 no 70.0 41.8 0.440 1.051 0.612 8 5 no 0.501 0 1
1 33 ARG QG 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 34 ASP QB 144 no 100.0 0.0 0.000 0.038 0.038 3 0 no 0.221 0 0
1 35 LEU QB 82 no 70.0 64.3 3.815 5.932 2.118 6 1 no 0.616 0 1
1 35 LEU QD 1 no 70.0 39.2 3.641 9.298 5.657 34 20 yes 2.212 39 72
1 36 ILE QG 62 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 37 MET QB 53 yes 100.0 96.9 0.627 0.647 0.020 8 0 no 0.199 0 0
1 37 MET QG 61 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 38 LYS QB 114 yes 100.0 94.5 0.526 0.557 0.030 4 0 no 0.313 0 0
1 38 LYS QD 97 no 60.0 43.4 0.716 1.651 0.935 5 0 yes 1.501 4 7
1 38 LYS QG 143 no 70.0 96.9 0.019 0.019 0.001 3 0 no 0.070 0 0
1 39 GLU QB 142 yes 100.0 100.0 0.167 0.167 0.000 3 0 no 0.000 0 0
1 39 GLU QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 40 ASP QB 76 no 100.0 0.0 0.000 0.028 0.028 6 0 no 0.214 0 0
1 41 TYR QB 69 no 90.0 85.5 0.046 0.053 0.008 7 2 no 0.000 0 0
1 41 TYR QD 7 yes 80.0 12.4 2.147 17.300 15.153 24 12 yes 3.254 41 47
1 41 TYR QE 4 yes 90.0 18.2 7.972 43.882 35.910 27 14 yes 4.185 67 81
1 42 GLU QB 81 yes 100.0 44.3 3.708 8.374 4.665 6 1 no 0.592 0 1
1 42 GLU QG 56 no 80.0 13.0 1.757 13.505 11.748 8 4 no 0.000 0 0
1 43 LEU QB 48 no 70.0 18.5 0.046 0.249 0.203 9 4 no 0.532 0 2
1 43 LEU QD 30 no 100.0 97.7 1.238 1.267 0.029 12 4 no 0.280 0 0
1 44 VAL QG 19 yes 100.0 99.5 6.932 6.964 0.032 17 4 no 0.212 0 0
1 45 SER QB 43 no 100.0 0.0 0.000 7.279 7.279 9 2 no 0.496 0 0
1 47 LYS QB 75 no 0.0 0.0 0.000 0.451 0.451 6 0 no 0.734 0 7
1 47 LYS QD 141 yes 80.0 76.9 0.239 0.310 0.072 3 0 no 0.745 0 1
1 47 LYS QE 113 no 60.0 25.1 0.143 0.571 0.428 4 0 yes 1.344 2 4
1 47 LYS QG 112 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.194 0 0
1 48 PRO QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 48 PRO QD 169 no 100.0 100.0 0.321 0.321 0.000 2 0 no 0.000 0 0
1 48 PRO QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 50 ARG QB 96 yes 90.0 67.0 0.124 0.185 0.061 5 0 no 0.533 0 1
1 50 ARG QD 80 no 40.0 97.7 0.071 0.072 0.002 6 1 no 0.120 0 0
1 50 ARG QG 55 no 100.0 0.0 0.000 0.042 0.042 8 2 no 0.641 0 1
1 52 SER QB 74 no 60.0 74.9 0.754 1.007 0.253 6 0 yes 1.127 4 13
1 53 LYS QB 60 yes 100.0 68.7 1.302 1.896 0.593 7 0 yes 0.727 0 10
1 53 LYS QD 95 no 100.0 33.5 0.205 0.612 0.407 5 0 yes 0.860 0 9
1 53 LYS QE 140 yes 100.0 80.2 5.967 7.440 1.473 3 0 yes 1.416 10 10
1 53 LYS QG 59 no 100.0 80.1 0.054 0.068 0.014 7 0 no 0.580 0 1
1 54 VAL QG 23 yes 100.0 89.7 1.257 1.401 0.144 15 2 no 0.538 0 1
1 55 ARG QB 126 no 90.0 95.2 1.181 1.241 0.060 4 1 no 0.516 0 1
1 55 ARG QD 167 no 60.0 78.8 0.124 0.157 0.033 2 0 no 0.578 0 1
1 55 ARG QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 56 GLN QB 102 no 70.0 100.0 0.106 0.106 0.000 5 1 no 0.000 0 0
1 56 GLN QE 22 no 100.0 0.0 0.000 0.641 0.641 16 14 yes 1.388 2 7
1 56 GLN QG 72 no 40.0 100.0 0.292 0.292 0.000 7 3 no 0.000 0 0
1 57 LEU QB 73 no 100.0 0.0 0.000 0.063 0.063 6 0 no 0.701 0 1
1 57 LEU QD 52 no 80.0 63.0 0.511 0.812 0.301 8 0 yes 1.218 1 3
1 58 LEU QB 111 no 100.0 100.0 0.026 0.026 0.000 4 0 no 0.268 0 0
1 58 LEU QD 25 no 40.0 42.6 1.250 2.935 1.685 13 1 yes 2.610 6 14
1 59 ASP QB 104 no 50.0 20.0 0.162 0.812 0.649 5 2 no 0.279 0 0
1 62 ASP QB 110 no 20.0 100.0 0.008 0.008 0.000 4 0 no 0.000 0 0
1 63 ILE QG 94 no 100.0 9.0 0.002 0.022 0.020 5 0 no 0.251 0 0
1 64 GLN QB 32 no 80.0 82.5 1.807 2.191 0.383 12 7 no 0.000 0 0
1 64 GLN QE 29 no 0.0 0.0 0.000 2.337 2.337 12 4 no 0.462 0 0
1 64 GLN QG 21 no 90.0 48.4 0.674 1.392 0.718 17 9 no 0.303 0 0
1 65 GLY QA 31 no 50.0 100.0 0.217 0.217 0.000 12 6 no 0.000 0 0
1 66 GLU QB 93 no 100.0 0.0 0.000 0.027 0.027 5 0 no 0.331 0 0
1 66 GLU QG 42 no 40.0 20.5 0.051 0.251 0.199 9 2 no 0.773 0 1
1 67 GLU QB 86 no 100.0 100.0 0.080 0.080 0.000 6 3 no 0.000 0 0
1 67 GLU QG 107 no 70.0 39.0 0.202 0.519 0.317 5 3 yes 0.931 0 7
1 68 PHE QB 16 no 100.0 99.6 0.059 0.059 0.000 18 5 no 0.045 0 0
1 68 PHE QD 6 no 50.0 13.7 1.254 9.126 7.871 25 11 yes 2.176 30 52
1 68 PHE QE 13 no 70.0 4.1 0.201 4.916 4.715 19 8 yes 2.316 13 28
1 70 LYS QB 92 no 10.0 9.3 0.005 0.049 0.044 5 0 no 0.284 0 0
1 70 LYS QD 58 no 30.0 36.7 0.279 0.761 0.482 7 0 yes 1.735 3 3
1 70 LYS QE 41 no 70.0 58.5 1.858 3.178 1.320 9 2 yes 1.772 5 10
1 70 LYS QG 139 no 50.0 48.1 0.190 0.395 0.205 3 0 no 0.921 0 3
1 71 VAL QG 2 yes 100.0 89.6 5.732 6.396 0.664 31 7 yes 1.040 1 7
1 72 ILE QG 91 no 80.0 77.8 0.093 0.119 0.026 5 0 no 0.531 0 1
1 73 VAL QG 5 yes 100.0 88.7 7.410 8.350 0.940 25 5 yes 2.279 2 2
1 74 GLN QB 109 no 70.0 90.6 0.634 0.700 0.066 4 0 yes 1.007 1 8
1 74 GLN QE 185 yes 90.0 96.4 1.526 1.583 0.057 1 0 no 0.499 0 0
1 74 GLN QG 138 no 50.0 11.6 0.062 0.535 0.473 3 0 yes 0.927 0 7
1 75 LYS QB 51 no 40.0 95.7 0.058 0.060 0.003 8 0 no 0.118 0 0
1 75 LYS QD 137 no 30.0 65.9 0.007 0.010 0.004 3 0 no 0.110 0 0
1 75 LYS QE 79 no 50.0 24.8 0.573 2.309 1.736 6 1 yes 1.876 11 12
1 75 LYS QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 LEU QB 164 no 100.0 0.0 0.000 0.028 0.028 2 0 no 0.240 0 0
1 76 LEU QD 17 no 100.0 89.1 4.297 4.821 0.525 18 6 no 0.923 0 6
1 77 LYS QB 28 no 90.0 0.2 0.002 1.197 1.195 12 4 no 0.511 0 1
1 77 LYS QD 130 no 80.0 67.2 0.305 0.454 0.149 4 2 no 0.489 0 0
1 77 LYS QE 106 no 70.0 45.1 1.142 2.534 1.392 5 3 yes 1.173 1 5
1 77 LYS QG 71 no 50.0 18.8 0.271 1.443 1.172 7 3 yes 1.512 5 8
1 78 ASP QB 163 no 100.0 100.0 0.016 0.016 0.000 2 0 no 0.238 0 0
1 79 ASN QB 90 no 40.0 93.5 0.080 0.085 0.006 5 0 no 0.141 0 0
1 79 ASN QD 184 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.025 0 0
1 80 LYS QB 129 yes 100.0 98.8 2.641 2.672 0.031 4 2 no 0.405 0 0
1 80 LYS QD 183 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 80 LYS QE 182 no 90.0 81.5 0.047 0.058 0.011 1 0 no 0.744 0 1
1 80 LYS QG 108 yes 80.0 71.3 0.381 0.535 0.153 4 0 no 0.833 0 3
1 81 GLN QB 89 no 10.0 66.2 0.107 0.162 0.055 5 0 yes 1.253 1 1
1 81 GLN QE 9 no 100.0 69.1 2.110 3.054 0.943 22 7 yes 1.426 3 11
1 81 GLN QG 101 no 100.0 32.3 0.018 0.055 0.037 5 1 no 0.479 0 0
1 82 MET QB 70 no 60.0 21.0 0.110 0.523 0.413 7 3 no 0.491 0 0
1 82 MET QG 36 yes 100.0 4.1 0.114 2.788 2.675 10 4 no 0.405 0 0
1 83 GLY QA 85 no 100.0 100.0 0.009 0.009 0.000 6 2 no 0.000 0 0
1 84 LEU QB 54 no 50.0 5.9 0.033 0.558 0.525 8 1 yes 0.776 0 11
1 84 LEU QD 8 no 40.0 23.2 0.573 2.467 1.894 22 6 yes 1.662 8 11
1 85 GLN QB 46 no 100.0 3.4 0.896 25.994 25.098 9 3 no 0.069 0 0
1 85 GLN QE 37 no 100.0 15.9 0.071 0.447 0.376 10 5 yes 1.134 1 6
1 85 GLN QG 84 no 80.0 51.2 12.259 23.946 11.687 6 2 yes 1.070 1 3
1 86 PRO QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 PRO QG 161 no 10.0 100.0 0.001 0.001 0.000 2 0 no 0.000 0 0
1 87 TYR QB 149 no 100.0 96.3 0.017 0.017 0.001 3 1 no 0.072 0 0
1 87 TYR QD 14 no 70.0 1.6 0.304 18.830 18.526 19 13 yes 3.046 32 39
1 87 TYR QE 3 no 50.0 1.0 0.306 30.603 30.297 31 16 yes 3.467 53 79
1 88 PRO QB 35 no 30.0 4.4 0.004 0.098 0.094 10 2 no 0.661 0 1
1 88 PRO QD 45 no 100.0 7.3 0.010 0.141 0.130 9 3 no 0.000 0 0
1 88 PRO QG 40 no 100.0 100.0 0.049 0.049 0.000 9 2 no 0.419 0 0
1 89 GLU QB 136 no 80.0 100.0 0.026 0.026 0.000 3 0 no 0.000 0 0
1 89 GLU QG 135 no 100.0 99.1 0.080 0.080 0.001 3 0 no 0.408 0 0
1 90 ILE QG 134 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 91 LEU QB 133 no 60.0 39.9 0.133 0.332 0.200 3 0 yes 1.036 1 2
1 91 LEU QD 88 no 80.0 65.8 2.349 3.569 1.220 5 0 yes 2.857 2 2
1 92 VAL QG 87 yes 80.0 80.5 0.812 1.009 0.197 5 0 yes 1.107 1 2
1 93 VAL QG 160 yes 80.0 52.7 0.520 0.986 0.466 2 0 yes 1.973 1 2
1 94 SER QB 159 no 50.0 41.6 0.115 0.276 0.161 2 0 no 0.695 0 2
1 95 ARG QB 158 no 80.0 81.8 0.015 0.018 0.003 2 0 no 0.429 0 0
1 95 ARG QG 181 no 10.0 99.9 0.008 0.008 0.000 1 0 no 0.010 0 0
1 96 SER QB 180 no 30.0 100.0 0.010 0.010 0.000 1 0 no 0.000 0 0
1 97 PRO QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 PRO QD 179 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 97 PRO QG 178 no 100.0 100.0 0.001 0.001 0.000 1 0 no 0.088 0 0
1 98 SER QB 132 no 50.0 64.0 0.776 1.213 0.437 3 0 yes 1.812 4 6
1 99 LEU QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 LEU QD 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 100 ASN QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 LEU QD 131 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 102 LEU QB 177 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 102 LEU QD 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 GLN QG 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 ASN QB 151 no 60.0 17.7 0.004 0.023 0.019 2 0 no 0.366 0 0
1 105 LYS QB 176 no 80.0 82.6 0.020 0.024 0.004 1 0 no 0.476 0 0
1 105 LYS QG 175 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
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