NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631300 |
6dsl   |
30480 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6dsl
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 196
_Stereo_assign_list.Swap_count 101
_Stereo_assign_list.Swap_percentage 51.5
_Stereo_assign_list.Deassign_count 17
_Stereo_assign_list.Deassign_percentage 8.7
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 25.989
_Stereo_assign_list.Total_e_high_states 482.464
_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 LEU QB 29 yes 95.0 61.6 0.253 0.410 0.157 18 5 no 0.852 0 4
1 5 LEU QD 65 no 85.0 71.2 1.431 2.008 0.577 15 7 no 0.858 0 15
1 6 SER QB 13 yes 100.0 97.4 0.567 0.582 0.015 24 8 no 0.296 0 0
1 7 GLY QA 25 yes 100.0 98.6 2.214 2.246 0.032 20 3 no 0.688 0 1
1 8 ASP QB 136 no 100.0 100.0 0.000 0.000 0.000 8 0 no 0.010 0 0
1 10 MET QB 72 no 65.0 15.9 0.003 0.018 0.015 14 0 no 0.180 0 0
1 11 ILE QG 76 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.000 0 0
1 12 GLU QB 115 no 100.0 59.8 0.018 0.031 0.012 10 2 no 0.522 0 2
1 12 GLU QG 178 yes 100.0 100.0 2.940 2.940 0.000 4 2 no 0.000 0 0
1 13 ILE QG 56 yes 100.0 85.2 1.026 1.203 0.178 15 1 no 0.477 0 0
1 14 LEU QB 37 yes 100.0 100.0 1.502 1.502 0.000 17 5 no 0.000 0 0
1 14 LEU QD 6 no 100.0 98.1 37.168 37.898 0.729 29 13 no 0.381 0 0
1 15 ASP QB 55 yes 100.0 70.8 3.126 4.418 1.292 15 0 yes 1.785 4 28
1 16 ASP QB 155 yes 95.0 89.9 0.141 0.157 0.016 7 0 no 0.472 0 0
1 17 ASP QB 187 yes 100.0 100.0 0.573 0.573 0.000 2 0 no 0.000 0 0
1 18 GLY QA 91 yes 100.0 99.6 0.398 0.400 0.002 13 4 no 0.075 0 0
1 19 ILE QG 35 yes 90.0 75.7 0.592 0.782 0.190 17 0 no 0.828 0 2
1 20 ILE QG 110 yes 85.0 90.2 0.770 0.854 0.083 11 3 no 0.532 0 3
1 21 GLN QB 142 yes 100.0 100.0 0.428 0.428 0.000 8 1 no 0.000 0 0
1 21 GLN QG 154 yes 80.0 96.4 0.802 0.831 0.030 7 0 no 0.479 0 0
1 22 LYS QB 186 yes 100.0 100.0 1.036 1.036 0.000 2 0 no 0.000 0 0
1 22 LYS QG 108 yes 100.0 60.0 1.270 2.116 0.846 11 1 no 0.944 0 6
1 23 ILE QG 99 yes 100.0 99.7 1.988 1.993 0.005 12 1 no 0.189 0 0
1 24 SER QB 43 no 95.0 80.1 0.081 0.101 0.020 16 0 no 0.378 0 0
1 25 MET QB 112 yes 100.0 100.0 0.616 0.616 0.000 11 6 no 0.000 0 0
1 25 MET QG 14 yes 100.0 99.7 0.569 0.571 0.002 23 4 no 0.176 0 0
1 26 GLU QB 123 no 85.0 5.9 0.002 0.026 0.025 9 3 no 0.688 0 1
1 26 GLU QG 141 yes 100.0 92.8 0.306 0.330 0.024 8 1 no 0.299 0 0
1 27 ASP QB 19 yes 100.0 92.7 5.948 6.416 0.467 21 1 no 0.130 0 0
1 28 LEU QB 11 no 95.0 73.6 0.041 0.056 0.015 24 7 no 0.432 0 0
1 28 LEU QD 52 no 100.0 97.0 4.583 4.726 0.143 16 9 yes 1.780 1 1
1 29 TYR QB 24 yes 100.0 100.0 0.272 0.272 0.000 20 0 no 0.000 0 0
1 30 GLN QB 171 yes 100.0 100.0 3.473 3.473 0.000 5 0 no 0.000 0 0
1 30 GLN QG 98 yes 95.0 97.6 0.432 0.443 0.011 12 0 no 0.313 0 0
1 31 ARG QB 28 no 5.0 50.8 0.050 0.098 0.048 18 4 no 0.944 0 4
1 31 ARG QD 54 yes 90.0 52.6 0.252 0.480 0.228 16 12 yes 1.209 1 2
1 31 ARG QG 119 no 100.0 100.0 0.004 0.004 0.000 10 7 no 0.000 0 0
1 32 LEU QB 61 yes 100.0 98.3 1.581 1.608 0.027 15 5 no 0.280 0 0
1 32 LEU QD 7 no 100.0 99.3 10.678 10.751 0.073 26 5 no 0.071 0 0
2 3 LYS QB 181 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 4 ASP QB 194 no 100.0 100.0 0.008 0.008 0.000 1 0 no 0.298 0 0
2 7 ASP QB 193 yes 80.0 68.0 0.121 0.179 0.057 1 0 no 0.484 0 0
2 8 LYS QB 185 no 95.0 93.7 0.019 0.020 0.001 2 0 no 0.296 0 0
2 8 LYS QG 192 no 85.0 37.9 0.030 0.079 0.049 1 0 no 0.953 0 1
2 9 MET QB 105 no 45.0 54.6 0.656 1.202 0.546 12 5 yes 2.179 4 18
2 9 MET QG 159 no 95.0 88.8 0.464 0.522 0.058 7 4 no 0.406 0 0
2 10 PHE QB 97 no 5.0 92.0 0.014 0.015 0.001 12 0 no 0.113 0 0
2 11 LYS QB 174 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
2 11 LYS QD 93 yes 100.0 100.0 1.535 1.535 0.000 13 7 no 0.000 0 0
2 11 LYS QE 68 yes 100.0 98.3 2.185 2.223 0.037 15 9 no 0.402 0 0
2 11 LYS QG 129 no 75.0 68.8 0.045 0.066 0.020 9 6 no 0.301 0 0
2 12 LEU QB 60 yes 100.0 99.7 0.919 0.922 0.003 15 5 no 0.067 0 0
2 12 LEU QD 59 no 20.0 10.5 0.045 0.426 0.381 15 5 yes 1.144 2 11
2 13 ASN QB 104 no 100.0 0.0 0.000 0.000 0.000 12 5 no 0.000 0 0
2 13 ASN QD 79 no 100.0 100.0 0.655 0.655 0.000 14 5 no 0.000 0 0
2 15 LYS QB 84 no 20.0 85.0 0.075 0.088 0.013 13 1 no 0.264 0 0
2 15 LYS QG 196 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 16 ASN QB 114 no 100.0 69.1 0.056 0.081 0.025 10 0 no 0.270 0 0
2 17 ILE QG 153 no 100.0 100.0 0.003 0.003 0.000 7 0 no 0.179 0 0
2 18 LYS QB 26 yes 100.0 75.1 4.625 6.159 1.534 19 8 no 0.045 0 0
2 18 LYS QD 188 yes 80.0 90.4 1.449 1.602 0.153 2 1 yes 1.073 1 4
2 18 LYS QG 77 no 100.0 93.8 0.068 0.072 0.004 14 3 no 0.365 0 0
2 19 VAL QG 4 no 100.0 99.8 17.528 17.572 0.044 33 11 no 0.298 0 0
2 20 LEU QB 39 yes 95.0 69.5 0.103 0.148 0.045 17 7 no 0.622 0 1
2 20 LEU QD 8 no 100.0 97.7 39.431 40.348 0.917 26 10 no 0.522 0 2
2 22 PRO QB 118 yes 100.0 99.5 0.428 0.430 0.002 10 6 no 0.142 0 0
2 22 PRO QD 17 yes 100.0 98.9 1.696 1.715 0.019 22 12 no 0.395 0 0
2 22 PRO QG 69 yes 100.0 71.8 0.217 0.302 0.085 15 14 no 0.628 0 2
2 23 SER QB 175 no 40.0 24.6 0.000 0.001 0.001 4 0 no 0.050 0 0
2 24 GLY QA 173 yes 100.0 100.0 0.850 0.850 0.000 5 1 no 0.000 0 0
2 25 PHE QB 128 yes 90.0 98.5 0.254 0.257 0.004 9 5 no 0.125 0 0
2 25 PHE QD 156 no 100.0 99.9 29.238 29.261 0.023 7 1 no 0.381 0 0
2 25 PHE QE 183 no 100.0 92.3 1.634 1.770 0.136 3 1 yes 1.060 1 3
2 26 LYS QB 81 yes 100.0 100.0 1.496 1.497 0.000 14 8 no 0.737 0 5
2 26 LYS QD 122 yes 100.0 90.5 1.627 1.799 0.172 9 1 no 0.725 0 2
2 26 LYS QE 190 no 100.0 100.0 0.084 0.084 0.000 2 2 no 0.559 0 6
2 26 LYS QG 125 yes 100.0 82.2 3.197 3.890 0.693 9 4 no 0.559 0 6
2 28 PHE QB 140 yes 100.0 100.0 0.285 0.285 0.000 8 1 no 0.000 0 0
2 29 SER QB 50 yes 95.0 75.1 0.527 0.702 0.175 16 6 no 0.640 0 1
2 30 GLY QA 96 yes 100.0 99.9 0.125 0.125 0.000 12 0 no 0.044 0 0
2 31 ILE QG 44 yes 100.0 100.0 1.558 1.558 0.000 16 2 no 0.000 0 0
2 32 GLN QB 182 no 100.0 98.7 0.039 0.040 0.001 3 1 no 0.712 0 1
2 32 GLN QG 177 no 10.0 31.7 0.003 0.010 0.007 4 1 no 0.242 0 0
2 33 LYS QB 90 yes 100.0 90.3 3.661 4.053 0.392 13 4 yes 1.890 1 9
2 33 LYS QD 148 yes 80.0 80.6 0.867 1.076 0.209 8 7 yes 1.397 2 4
2 33 LYS QE 147 no 60.0 31.6 0.412 1.305 0.893 8 7 yes 2.398 10 12
2 33 LYS QG 146 no 35.0 88.0 0.064 0.073 0.009 8 7 no 0.156 0 0
2 34 VAL QG 74 no 100.0 99.0 0.609 0.615 0.006 14 1 no 0.178 0 0
2 36 LYS QB 64 yes 100.0 95.8 1.575 1.644 0.069 15 7 no 0.605 0 1
2 36 LYS QD 145 yes 80.0 89.1 1.602 1.797 0.195 8 5 no 0.921 0 4
2 36 LYS QG 124 yes 100.0 100.0 0.277 0.277 0.000 9 4 no 0.000 0 0
2 37 PRO QB 67 yes 100.0 100.0 0.280 0.280 0.000 15 8 no 0.010 0 0
2 37 PRO QD 23 yes 100.0 30.8 0.788 2.564 1.775 21 16 no 0.921 0 4
2 37 PRO QG 33 no 100.0 100.0 0.099 0.099 0.000 18 12 no 0.452 0 0
2 38 PHE QB 18 yes 100.0 97.2 0.858 0.882 0.024 21 1 no 0.248 0 0
2 39 TYR QB 95 yes 100.0 100.0 0.185 0.185 0.000 12 0 no 0.000 0 0
2 40 HIS QB 135 no 100.0 53.0 0.066 0.125 0.059 8 0 yes 1.212 1 1
2 41 HIS QB 12 yes 100.0 94.4 12.538 13.288 0.750 24 8 no 0.111 0 0
2 42 ILE QG 134 yes 100.0 99.5 0.468 0.470 0.002 8 0 no 0.125 0 0
2 43 ILE QG 88 yes 100.0 99.8 3.258 3.264 0.006 13 3 no 0.191 0 0
2 44 PHE QB 109 yes 100.0 100.0 1.121 1.121 0.000 11 2 no 0.000 0 0
2 45 ASP QB 66 yes 100.0 99.0 1.315 1.328 0.013 15 8 no 0.381 0 0
2 46 ASP QB 152 no 80.0 38.7 0.009 0.023 0.014 7 0 no 0.229 0 0
2 47 GLY QA 121 yes 100.0 99.4 2.465 2.481 0.016 9 0 no 0.243 0 0
2 48 SER QB 107 no 25.0 42.5 0.030 0.071 0.041 11 0 no 0.302 0 0
2 49 GLU QB 58 no 100.0 98.7 0.080 0.081 0.001 15 3 no 0.459 0 0
2 49 GLU QG 172 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
2 50 ILE QG 113 no 5.0 19.6 0.004 0.018 0.014 10 0 no 0.477 0 0
2 51 LYS QB 21 no 100.0 100.0 0.086 0.086 0.000 21 7 no 0.348 0 0
2 51 LYS QD 176 yes 100.0 90.7 0.173 0.191 0.018 4 1 no 0.313 0 0
2 51 LYS QE 195 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 51 LYS QG 157 yes 100.0 99.9 1.412 1.413 0.001 7 2 no 0.159 0 0
2 52 CYS QB 86 yes 100.0 63.0 0.158 0.251 0.093 13 2 no 0.858 0 2
2 53 SER QB 170 yes 95.0 94.3 0.282 0.299 0.017 5 0 no 0.559 0 1
2 54 ASP QB 139 no 100.0 0.0 0.000 0.000 0.000 8 1 no 0.000 0 0
2 55 ASN QB 138 no 85.0 65.0 0.004 0.005 0.002 8 1 no 0.146 0 0
2 56 HIS QB 169 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
2 57 SER QB 133 yes 100.0 75.1 0.261 0.347 0.086 8 0 no 0.573 0 2
2 58 PHE QB 57 yes 100.0 97.7 3.229 3.304 0.075 15 3 no 0.428 0 0
2 59 GLY QA 106 yes 100.0 100.0 2.018 2.018 0.000 12 6 no 0.000 0 0
2 60 LYS QB 163 no 95.0 82.1 0.065 0.079 0.014 6 3 no 0.552 0 1
2 61 ASP QB 78 no 75.0 52.6 0.225 0.428 0.203 14 4 no 0.873 0 3
2 62 LYS QB 94 no 50.0 0.1 0.000 0.023 0.023 13 8 no 0.260 0 0
2 62 LYS QD 130 no 25.0 0.5 0.000 0.023 0.023 9 9 no 0.260 0 0
2 62 LYS QE 189 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 62 LYS QG 117 yes 100.0 74.4 0.162 0.217 0.056 10 5 no 0.501 0 1
2 63 ILE QG 47 no 55.0 42.4 0.129 0.303 0.175 16 4 no 0.390 0 0
2 64 LYS QB 168 yes 100.0 100.0 0.894 0.894 0.000 5 0 no 0.000 0 0
2 64 LYS QG 167 no 100.0 98.1 0.044 0.045 0.001 5 0 no 0.460 0 0
2 66 SER QB 180 no 90.0 88.1 0.037 0.042 0.005 3 0 no 0.312 0 0
2 68 ILE QG 82 yes 100.0 77.9 0.920 1.180 0.260 13 0 yes 1.653 2 2
2 69 LYS QB 179 yes 95.0 96.5 1.284 1.330 0.047 3 0 no 0.965 0 1
2 69 LYS QG 161 no 90.0 23.2 0.047 0.201 0.154 6 0 no 0.737 0 5
2 70 VAL QG 75 no 100.0 100.0 16.701 16.701 0.000 14 2 no 0.000 0 0
2 71 GLY QA 46 yes 100.0 78.0 3.337 4.280 0.943 16 3 yes 1.361 7 10
2 72 ASP QB 120 yes 100.0 97.7 1.382 1.415 0.033 9 0 no 0.526 0 1
2 73 TYR QB 71 yes 95.0 93.4 1.005 1.076 0.071 14 0 no 0.637 0 2
2 74 LEU QB 30 no 100.0 100.0 0.008 0.008 0.000 18 6 no 0.092 0 0
2 74 LEU QD 63 no 100.0 99.7 2.821 2.830 0.010 15 6 no 0.092 0 0
2 75 GLN QB 111 no 5.0 88.1 0.000 0.001 0.000 11 5 no 0.021 0 0
2 75 GLN QE 41 no 100.0 85.1 0.118 0.139 0.021 17 11 no 0.534 0 1
2 75 GLN QG 40 yes 100.0 99.2 0.249 0.251 0.002 17 10 no 0.203 0 0
2 76 GLY QA 151 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
2 77 LYS QB 48 yes 100.0 67.4 0.574 0.852 0.278 16 5 no 0.150 0 0
2 77 LYS QD 116 yes 100.0 87.7 0.538 0.614 0.076 10 3 no 0.519 0 1
2 78 LYS QB 22 yes 100.0 99.5 2.961 2.975 0.014 21 9 no 0.224 0 0
2 78 LYS QG 53 yes 95.0 85.5 0.216 0.253 0.037 16 10 no 0.259 0 0
2 79 VAL QG 10 no 100.0 100.0 17.069 17.077 0.008 24 5 no 0.000 0 0
2 80 LEU QB 103 yes 100.0 98.5 0.816 0.829 0.013 12 5 no 0.133 0 0
2 80 LEU QD 51 no 100.0 83.8 5.966 7.122 1.156 16 9 no 0.381 0 0
2 81 TYR QB 9 yes 100.0 91.3 2.494 2.731 0.237 25 1 no 0.404 0 0
2 82 ASN QB 15 yes 100.0 100.0 0.255 0.255 0.000 23 13 no 0.000 0 0
2 82 ASN QD 80 no 100.0 100.0 0.024 0.024 0.000 14 7 no 0.416 0 0
2 83 GLU QB 101 yes 100.0 100.0 0.551 0.551 0.000 12 2 no 0.000 0 0
2 83 GLU QG 166 no 65.0 52.5 0.039 0.073 0.035 5 0 no 0.404 0 0
2 84 ILE QG 34 yes 100.0 100.0 0.375 0.375 0.000 17 0 no 0.000 0 0
2 85 VAL QG 31 no 100.0 96.6 31.314 32.425 1.111 18 7 no 0.336 0 0
2 86 GLU QB 162 no 100.0 100.0 0.000 0.000 0.000 6 2 no 0.008 0 0
2 86 GLU QG 87 yes 100.0 97.3 0.695 0.714 0.019 13 3 no 0.285 0 0
2 87 GLU QB 45 yes 100.0 86.5 0.627 0.724 0.098 16 3 no 0.456 0 0
2 87 GLU QG 144 yes 100.0 99.1 0.752 0.759 0.007 8 4 no 0.183 0 0
2 88 GLY QA 42 yes 100.0 100.0 3.378 3.379 0.001 16 0 no 0.090 0 0
2 89 ILE QG 73 yes 100.0 100.0 0.318 0.318 0.000 14 1 no 0.000 0 0
2 90 TYR QB 83 yes 100.0 100.0 0.431 0.431 0.000 13 1 no 0.000 0 0
2 91 LEU QB 62 yes 100.0 99.6 1.162 1.167 0.004 15 6 no 0.140 0 0
2 91 LEU QD 2 no 100.0 97.7 26.063 26.666 0.603 37 11 no 0.731 0 2
2 92 TYR QB 20 yes 100.0 100.0 0.339 0.339 0.000 21 2 no 0.000 0 0
2 93 ASP QB 165 no 20.0 17.0 0.006 0.035 0.029 5 0 no 0.479 0 0
2 94 LEU QB 38 no 100.0 100.0 0.017 0.017 0.000 17 7 no 0.126 0 0
2 94 LEU QD 1 no 100.0 99.8 34.176 34.260 0.084 40 14 no 0.009 0 0
2 95 LEU QB 36 yes 100.0 75.7 1.091 1.440 0.350 17 4 no 0.640 0 2
2 95 LEU QD 102 no 100.0 93.5 9.730 10.411 0.681 12 4 yes 1.373 8 10
2 96 ASN QB 32 yes 75.0 54.2 0.264 0.488 0.223 18 9 yes 1.084 1 4
2 96 ASN QD 127 no 75.0 28.3 0.380 1.346 0.965 9 5 yes 1.898 6 13
2 97 VAL QG 3 no 100.0 96.7 9.822 10.152 0.330 33 10 no 0.067 0 0
2 98 GLY QA 126 yes 100.0 75.2 0.458 0.609 0.151 9 5 no 0.737 0 5
2 99 GLU QB 158 no 90.0 92.4 0.001 0.001 0.000 7 4 no 0.044 0 0
2 99 GLU QG 143 no 95.0 73.5 0.098 0.133 0.035 8 4 no 0.608 0 5
2 100 ASP QB 164 no 5.0 76.1 0.001 0.001 0.000 5 0 no 0.079 0 0
2 101 ASN QB 132 yes 100.0 79.9 0.485 0.607 0.122 8 0 no 0.618 0 3
2 102 LEU QB 89 yes 100.0 100.0 0.436 0.436 0.000 13 4 no 0.000 0 0
2 102 LEU QD 5 no 100.0 98.4 14.478 14.708 0.230 32 10 yes 1.031 1 2
2 103 TYR QB 16 yes 100.0 100.0 0.556 0.556 0.000 22 7 no 0.052 0 0
2 104 TYR QB 150 no 100.0 100.0 0.026 0.026 0.000 7 0 no 0.413 0 0
2 106 ASN QB 92 no 75.0 96.4 0.257 0.267 0.010 13 6 no 0.365 0 0
2 106 ASN QD 49 no 100.0 100.0 0.826 0.826 0.000 16 6 no 0.075 0 0
2 107 GLY QA 149 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
2 108 ILE QG 137 yes 90.0 93.0 0.134 0.144 0.010 8 1 no 0.342 0 0
2 109 VAL QG 27 no 100.0 89.9 15.305 17.016 1.711 19 9 no 0.628 0 2
2 110 SER QB 70 yes 95.0 91.4 0.280 0.306 0.026 14 0 no 0.703 0 1
2 111 HIS QB 85 no 100.0 100.0 0.002 0.002 0.000 13 2 no 0.049 0 0
2 113 CYS QB 100 yes 95.0 95.5 0.574 0.601 0.027 12 2 no 0.730 0 1
2 114 GLU QB 160 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 115 SER QB 191 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 116 ARG QB 131 no 10.0 32.1 0.006 0.020 0.013 8 0 no 0.260 0 0
2 116 ARG QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
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