NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
537070 |
4a5v   |
18039 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_4a5v
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 197
_Stereo_assign_list.Swap_count 89
_Stereo_assign_list.Swap_percentage 45.2
_Stereo_assign_list.Deassign_count 19
_Stereo_assign_list.Deassign_percentage 9.6
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 63.474
_Stereo_assign_list.Total_e_high_states 711.095
_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 4 PRO QB 164 no 90.0 100.0 0.088 0.088 0.000 7 6 no 0.000 0 0
1 4 PRO QD 179 no 100.0 99.9 0.941 0.942 0.001 4 3 no 0.077 0 0
1 6 LYS QD 144 yes 90.0 91.9 1.628 1.770 0.143 10 5 no 0.366 0 0
1 6 LYS QE 181 no 60.0 98.9 0.032 0.032 0.000 4 4 no 0.034 0 0
1 6 LYS QG 170 yes 100.0 99.6 0.155 0.155 0.001 6 5 no 0.052 0 0
1 7 LEU QB 97 no 100.0 99.8 1.449 1.451 0.002 16 10 no 0.058 0 0
1 8 ASP QB 173 no 60.0 19.9 0.000 0.001 0.001 4 0 no 0.097 0 0
1 9 LEU QB 26 yes 100.0 99.1 2.916 2.942 0.026 28 18 no 0.113 0 0
1 9 LEU QD 4 no 100.0 97.0 17.378 17.916 0.538 36 17 no 0.237 0 0
1 10 SER QB 182 no 70.0 100.0 0.069 0.069 0.000 3 0 no 0.000 0 0
1 11 CYS QB 68 no 100.0 98.5 1.328 1.348 0.020 19 7 yes 0.939 0 10
1 12 VAL QG 53 no 100.0 96.7 32.378 33.490 1.112 22 13 no 0.241 0 0
1 13 HIS QB 194 yes 100.0 89.4 0.140 0.157 0.017 2 2 no 0.196 0 0
1 14 SER QB 165 no 40.0 11.4 0.148 1.299 1.151 6 2 yes 1.403 4 8
1 15 ASP QB 172 no 40.0 29.7 0.007 0.025 0.017 5 2 no 0.260 0 0
1 16 ASN QB 38 no 70.0 69.8 0.313 0.448 0.135 24 11 no 0.339 0 0
1 16 ASN QD 128 no 100.0 90.4 0.331 0.366 0.035 12 6 no 0.326 0 0
1 17 LYS QB 52 yes 100.0 99.8 2.438 2.442 0.004 22 11 no 0.141 0 0
1 17 LYS QD 74 yes 100.0 83.5 0.337 0.404 0.067 19 10 no 0.306 0 0
1 17 LYS QE 132 no 30.0 18.2 0.084 0.462 0.378 12 12 no 0.387 0 0
1 17 LYS QG 123 no 100.0 95.3 0.516 0.542 0.026 13 11 no 0.226 0 0
1 18 GLY QA 36 yes 90.0 68.4 0.478 0.698 0.220 25 15 no 0.966 0 1
1 19 SER QB 80 no 40.0 6.5 0.058 0.886 0.828 18 5 yes 1.213 4 8
1 20 ARG QD 162 no 100.0 99.0 1.009 1.019 0.010 7 3 no 0.132 0 0
1 20 ARG QG 65 yes 100.0 97.1 1.835 1.889 0.054 19 6 no 0.155 0 0
1 22 PRO QB 163 no 100.0 94.9 0.417 0.440 0.023 7 6 no 0.167 0 0
1 22 PRO QD 95 yes 90.0 90.2 0.601 0.666 0.065 17 12 no 0.504 0 1
1 24 ILE QG 56 yes 100.0 97.8 0.321 0.328 0.007 21 9 no 0.074 0 0
1 26 GLU QB 193 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 26 GLU QG 192 no 30.0 41.1 0.001 0.002 0.001 2 2 no 0.000 0 0
1 27 PRO QB 55 no 70.0 4.6 0.165 3.596 3.431 21 8 no 0.190 0 0
1 27 PRO QD 131 yes 100.0 87.0 1.225 1.407 0.183 12 9 no 0.142 0 0
1 27 PRO QG 147 no 100.0 99.8 4.007 4.016 0.008 10 6 no 0.122 0 0
1 29 PRO QB 130 yes 100.0 97.6 2.092 2.144 0.052 12 8 no 0.194 0 0
1 29 PRO QD 151 yes 100.0 98.9 1.064 1.076 0.012 9 4 no 0.117 0 0
1 30 ASP QB 121 yes 100.0 36.8 0.949 2.580 1.632 13 8 no 0.127 0 0
1 31 VAL QG 14 no 100.0 96.8 29.658 30.643 0.986 31 17 no 0.273 0 0
1 32 SER QB 20 no 90.0 42.3 0.807 1.909 1.102 29 15 yes 1.111 1 2
1 33 LEU QB 88 yes 100.0 95.9 0.212 0.221 0.009 18 14 no 0.107 0 0
1 33 LEU QD 35 no 100.0 95.0 19.664 20.705 1.042 25 12 yes 1.652 4 4
1 34 GLU QB 149 no 100.0 96.2 0.973 1.011 0.038 10 7 no 0.203 0 0
1 34 GLU QG 42 yes 100.0 99.4 4.132 4.159 0.027 24 15 no 0.152 0 0
1 35 GLN QB 11 no 100.0 76.4 1.544 2.020 0.477 33 22 no 0.472 0 0
1 35 GLN QE 110 yes 80.0 52.6 0.359 0.683 0.324 14 12 no 0.472 0 0
1 35 GLN QG 197 no 40.0 47.4 0.002 0.004 0.002 1 1 no 0.102 0 0
1 36 CYS QB 31 yes 100.0 93.9 3.639 3.874 0.235 26 17 no 0.197 0 0
1 39 GLN QB 82 yes 100.0 98.9 2.128 2.151 0.023 18 6 no 0.163 0 0
1 39 GLN QE 91 no 100.0 99.6 0.390 0.392 0.002 17 7 no 0.063 0 0
1 39 GLN QG 143 no 100.0 98.6 4.182 4.242 0.060 10 5 no 0.270 0 0
1 40 CYS QB 44 yes 100.0 98.6 2.305 2.338 0.033 23 9 no 0.185 0 0
1 41 LYS QB 141 no 100.0 100.0 4.233 4.234 0.000 10 4 no 0.034 0 0
1 41 LYS QD 176 no 100.0 100.0 2.265 2.265 0.000 4 2 no 0.025 0 0
1 41 LYS QG 116 no 100.0 99.9 0.465 0.466 0.001 13 6 no 0.059 0 0
1 43 VAL QG 19 no 100.0 91.3 20.560 22.513 1.953 29 15 no 0.326 0 0
1 44 ASP QB 185 yes 100.0 99.0 1.539 1.555 0.016 3 2 no 0.197 0 0
1 45 GLY QA 115 yes 100.0 59.8 1.002 1.675 0.673 13 6 no 0.163 0 0
1 46 CYS QB 27 yes 100.0 97.5 0.664 0.681 0.017 27 13 no 0.185 0 0
1 48 HIS QB 18 yes 100.0 85.2 1.009 1.184 0.175 29 13 no 0.196 0 0
1 49 PHE QB 67 no 100.0 85.6 0.548 0.640 0.092 19 7 no 0.299 0 0
1 51 TYR QB 175 no 100.0 70.8 0.017 0.024 0.007 4 2 no 0.182 0 0
1 51 TYR QD 61 no 100.0 99.9 33.778 33.808 0.030 20 13 no 0.382 0 0
1 52 ASN QB 16 yes 100.0 66.8 2.945 4.411 1.466 30 17 no 0.306 0 0
1 52 ASN QD 109 no 100.0 98.2 0.426 0.433 0.008 14 7 no 0.087 0 0
1 53 ASP QB 150 yes 100.0 98.8 3.777 3.822 0.045 10 8 no 0.206 0 0
1 55 SER QB 134 yes 100.0 91.0 0.695 0.764 0.069 11 4 no 0.231 0 0
1 56 LYS QB 32 no 90.0 50.2 0.558 1.110 0.553 25 7 yes 0.817 0 10
1 56 LYS QD 196 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 56 LYS QE 184 no 50.0 57.6 0.003 0.004 0.002 3 2 no 0.086 0 0
1 56 LYS QG 105 yes 80.0 83.2 0.338 0.406 0.068 15 9 no 0.168 0 0
1 57 MET QB 58 yes 100.0 98.5 6.183 6.276 0.094 21 11 no 0.366 0 0
1 58 CYS QB 7 yes 100.0 26.6 0.650 2.441 1.791 34 16 no 0.222 0 0
1 59 HIS QB 47 no 100.0 78.5 5.983 7.625 1.642 22 7 yes 1.180 2 2
1 60 VAL QG 5 no 100.0 96.1 38.223 39.789 1.566 36 19 no 0.185 0 0
1 61 LYS QB 49 yes 100.0 100.0 1.444 1.444 0.000 22 8 no 0.142 0 0
1 61 LYS QD 122 yes 100.0 99.1 1.415 1.428 0.013 13 9 no 0.117 0 0
1 61 LYS QE 94 yes 80.0 82.9 3.487 4.206 0.720 17 12 yes 1.061 1 4
1 61 LYS QG 24 no 100.0 98.4 1.636 1.663 0.027 28 16 no 0.226 0 0
1 62 GLU QB 77 no 100.0 96.0 1.554 1.618 0.064 19 12 no 0.130 0 0
1 62 GLU QG 17 yes 100.0 82.8 3.164 3.821 0.657 30 18 no 0.504 0 1
1 64 LYS QD 152 no 60.0 34.8 0.089 0.255 0.166 9 7 no 0.421 0 0
1 64 LYS QG 102 yes 100.0 98.9 0.736 0.744 0.008 15 6 no 0.133 0 0
1 65 PRO QB 23 no 40.0 58.7 0.280 0.478 0.197 29 21 no 0.575 0 1
1 65 PRO QD 9 no 100.0 70.7 0.769 1.088 0.319 34 19 no 0.156 0 0
1 65 PRO QG 29 no 50.0 35.3 0.686 1.941 1.255 27 16 yes 1.309 1 7
1 66 ASP QB 90 yes 100.0 65.3 0.823 1.262 0.438 17 6 no 0.198 0 0
1 67 LEU QB 69 yes 100.0 82.3 2.145 2.607 0.462 19 8 no 0.518 0 2
1 67 LEU QD 6 no 100.0 96.7 37.682 38.980 1.299 35 17 yes 1.084 1 11
1 68 TYR QB 84 no 100.0 95.7 1.106 1.155 0.049 18 8 no 0.306 0 0
1 69 ASP QB 178 yes 100.0 100.0 0.262 0.262 0.000 4 3 no 0.000 0 0
1 70 LEU QB 40 yes 100.0 95.5 0.257 0.269 0.012 24 13 no 0.132 0 0
1 70 LEU QD 43 no 100.0 100.0 13.318 13.320 0.002 24 17 no 0.048 0 0
1 72 GLY QA 103 yes 100.0 28.3 1.487 5.250 3.763 15 7 no 0.121 0 0
1 73 GLY QA 28 no 100.0 94.4 4.465 4.732 0.267 27 14 no 0.102 0 0
1 74 LYS QB 78 no 100.0 87.6 2.045 2.334 0.290 19 13 no 0.000 0 0
1 74 LYS QG 114 yes 100.0 95.3 5.877 6.165 0.288 13 6 no 0.831 0 4
1 77 SER QB 81 no 100.0 99.1 0.494 0.498 0.004 18 6 no 0.053 0 0
1 78 ARG QB 87 no 100.0 86.4 0.824 0.954 0.130 18 11 no 0.092 0 0
1 78 ARG QD 92 yes 100.0 94.8 0.875 0.922 0.048 17 9 no 0.253 0 0
1 78 ARG QG 46 no 100.0 92.5 1.492 1.614 0.122 23 15 no 0.239 0 0
1 79 SER QB 57 no 90.0 35.1 1.085 3.087 2.002 21 10 yes 1.382 2 9
1 80 CYS QB 106 yes 100.0 78.7 3.203 4.072 0.869 14 5 no 0.241 0 0
1 81 ASP QB 169 yes 80.0 77.7 0.971 1.250 0.279 6 3 no 0.799 0 1
1 82 ARG QB 174 no 100.0 100.0 2.147 2.147 0.000 4 2 no 0.000 0 0
1 82 ARG QD 146 no 80.0 25.1 0.031 0.123 0.092 10 6 no 0.299 0 0
1 82 ARG QG 108 yes 100.0 97.4 2.059 2.115 0.055 14 6 no 0.204 0 0
1 84 CYS QB 117 yes 100.0 99.0 0.710 0.717 0.007 13 7 no 0.093 0 0
1 85 PHE QB 111 no 100.0 90.9 0.594 0.653 0.060 13 3 no 0.171 0 0
1 86 GLU QB 104 yes 100.0 97.6 4.848 4.968 0.120 15 8 no 0.421 0 0
1 87 GLN QB 93 no 100.0 85.2 1.098 1.289 0.191 17 12 no 0.385 0 0
1 87 GLN QE 158 no 100.0 100.0 1.031 1.031 0.000 8 7 no 0.041 0 0
1 87 GLN QG 107 yes 100.0 96.4 1.040 1.078 0.038 14 6 no 0.120 0 0
1 88 HIS QB 50 no 100.0 98.6 2.556 2.593 0.037 22 9 no 0.139 0 0
1 89 VAL QG 3 no 100.0 99.8 29.427 29.475 0.048 38 16 no 0.159 0 0
1 91 TYR QB 54 yes 100.0 98.9 0.292 0.296 0.003 21 6 no 0.074 0 0
1 93 GLY QA 124 yes 100.0 100.0 3.446 3.447 0.001 12 3 no 0.078 0 0
1 95 PRO QB 160 yes 100.0 100.0 0.501 0.501 0.000 7 2 no 0.000 0 0
1 95 PRO QD 191 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 95 PRO QG 168 no 100.0 99.9 0.916 0.916 0.001 6 3 no 0.035 0 0
1 96 ASP QB 133 no 100.0 93.1 2.023 2.173 0.150 11 3 no 0.168 0 0
1 97 VAL QG 2 no 100.0 99.6 32.919 33.055 0.136 38 13 no 0.459 0 0
1 98 MET QB 120 yes 100.0 95.8 0.531 0.554 0.023 13 8 no 0.447 0 0
1 98 MET QG 86 no 90.0 80.7 1.211 1.501 0.290 18 11 no 0.459 0 0
1 101 MET QB 59 yes 100.0 95.1 1.093 1.150 0.057 20 8 no 0.182 0 0
1 101 MET QG 100 yes 90.0 95.1 1.136 1.195 0.059 15 5 no 0.423 0 0
1 102 VAL QG 195 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 105 GLN QB 127 no 100.0 61.4 0.031 0.051 0.020 12 6 no 0.165 0 0
1 105 GLN QE 135 yes 100.0 99.7 0.344 0.345 0.001 11 6 no 0.065 0 0
1 105 GLN QG 63 no 100.0 99.3 4.548 4.581 0.033 20 16 no 0.213 0 0
1 106 SER QB 140 no 100.0 100.0 0.000 0.000 0.000 10 3 no 0.000 0 0
1 108 ASP QB 41 yes 100.0 51.1 0.807 1.580 0.773 24 15 no 0.306 0 0
1 109 CYS QB 76 yes 100.0 99.4 0.251 0.252 0.002 19 12 no 0.070 0 0
1 110 GLN QB 51 yes 100.0 100.0 0.711 0.711 0.000 22 10 no 0.000 0 0
1 110 GLN QE 62 no 100.0 94.2 2.052 2.179 0.127 20 14 no 0.144 0 0
1 110 GLN QG 30 yes 100.0 44.3 0.561 1.265 0.704 26 17 yes 1.203 3 3
1 113 CYS QB 66 yes 100.0 98.6 1.631 1.653 0.023 19 7 no 0.135 0 0
1 116 ASP QB 34 yes 100.0 99.4 6.823 6.865 0.042 25 12 no 0.174 0 0
1 117 PRO QB 159 no 100.0 99.9 1.055 1.056 0.001 7 2 no 0.063 0 0
1 117 PRO QD 73 no 100.0 96.6 0.683 0.708 0.024 19 10 no 0.174 0 0
1 118 SER QB 177 no 90.0 90.6 2.072 2.288 0.216 4 3 yes 1.459 1 1
1 119 CYS QB 60 yes 100.0 99.9 1.514 1.516 0.002 20 10 no 0.059 0 0
1 120 GLU QB 99 yes 100.0 94.4 2.274 2.409 0.135 15 3 no 0.001 0 0
1 120 GLU QG 188 no 100.0 96.8 0.472 0.488 0.016 2 0 no 0.160 0 0
1 121 ILE QG 33 yes 100.0 95.8 0.628 0.656 0.027 25 9 no 0.181 0 0
1 122 PHE QB 21 no 100.0 76.7 0.123 0.160 0.037 29 16 no 0.242 0 0
1 122 PHE QD 71 no 100.0 100.0 22.611 22.612 0.001 19 9 no 0.049 0 0
1 125 ASN QB 25 yes 90.0 20.0 0.197 0.984 0.787 28 18 no 0.326 0 0
1 125 ASN QD 39 yes 100.0 32.9 1.218 3.704 2.486 24 13 yes 1.075 1 1
1 126 GLU QG 112 no 100.0 97.6 0.435 0.446 0.011 13 4 no 0.139 0 0
1 127 HIS QB 139 no 90.0 97.0 2.914 3.003 0.089 10 3 no 0.646 0 1
1 128 ASP QB 79 yes 90.0 86.1 5.697 6.618 0.921 19 15 yes 1.444 2 5
1 129 GLN QB 126 no 100.0 59.1 0.162 0.275 0.112 12 5 no 0.040 0 0
1 129 GLN QE 155 no 30.0 13.6 0.067 0.493 0.426 8 1 yes 1.322 3 3
1 129 GLN QG 187 no 30.0 65.5 0.039 0.059 0.020 3 3 no 0.504 0 1
1 130 LYS QB 12 no 100.0 83.1 1.661 1.998 0.337 32 16 yes 1.350 1 4
1 130 LYS QD 186 no 70.0 26.0 0.003 0.011 0.008 3 3 no 0.000 0 0
1 130 LYS QE 157 no 70.0 58.6 0.908 1.551 0.643 8 6 yes 1.349 2 5
1 130 LYS QG 154 no 100.0 88.3 0.070 0.079 0.009 8 1 no 0.368 0 0
1 131 CYS QB 45 yes 100.0 79.5 1.416 1.781 0.365 23 11 no 0.292 0 0
1 133 PHE QB 22 yes 100.0 85.5 2.496 2.918 0.422 29 17 no 0.458 0 0
1 134 LYS QB 13 yes 100.0 11.8 0.122 1.034 0.912 32 21 no 0.400 0 0
1 134 LYS QG 96 yes 90.0 89.6 3.268 3.645 0.378 16 9 yes 1.114 2 4
1 135 GLY QA 119 yes 90.0 99.3 0.688 0.693 0.005 13 8 no 0.199 0 0
1 136 ARG QG 137 yes 100.0 98.9 0.635 0.642 0.007 10 0 no 0.200 0 0
1 137 GLY QA 138 no 100.0 93.2 0.028 0.030 0.002 10 3 no 0.067 0 0
1 138 PHE QB 10 yes 100.0 70.1 0.870 1.240 0.371 33 13 no 0.088 0 0
1 139 SER QB 156 no 50.0 53.5 0.239 0.447 0.208 8 4 no 0.147 0 0
1 141 PHE QB 37 yes 100.0 64.8 1.224 1.889 0.665 24 5 no 0.314 0 0
1 142 LYS QB 118 no 60.0 9.7 0.043 0.447 0.404 13 8 no 0.147 0 0
1 142 LYS QE 142 no 90.0 86.3 1.067 1.237 0.169 10 5 no 0.921 0 1
1 142 LYS QG 167 no 100.0 100.0 0.645 0.645 0.000 6 3 no 0.000 0 0
1 143 GLU QB 101 yes 100.0 92.1 1.800 1.953 0.154 15 6 no 0.207 0 0
1 143 GLU QG 161 yes 100.0 99.8 0.900 0.902 0.002 7 3 no 0.079 0 0
1 144 ARG QB 113 yes 100.0 99.8 1.440 1.443 0.003 13 6 no 0.090 0 0
1 145 GLY QA 129 no 100.0 99.9 1.437 1.438 0.001 12 8 no 0.056 0 0
1 146 VAL QG 8 no 100.0 96.7 33.320 34.471 1.151 34 17 no 0.207 0 0
1 147 LEU QB 70 no 100.0 98.0 1.771 1.808 0.036 19 9 no 0.163 0 0
1 147 LEU QD 98 no 100.0 99.6 10.405 10.452 0.046 16 11 no 0.200 0 0
1 148 GLY QA 85 no 100.0 97.0 2.539 2.616 0.077 18 10 no 0.222 0 0
1 149 VAL QG 1 no 100.0 99.6 37.784 37.917 0.133 49 22 no 0.326 0 0
1 151 SER QB 72 no 50.0 6.9 0.301 4.337 4.037 19 10 no 0.163 0 0
1 152 GLY QA 48 yes 90.0 94.7 1.350 1.426 0.076 22 8 no 0.421 0 0
1 153 PRO QB 183 no 80.0 16.8 0.022 0.130 0.108 3 2 no 0.421 0 0
1 153 PRO QD 180 no 90.0 99.4 0.029 0.029 0.000 4 4 no 0.003 0 0
1 154 LYS QB 75 yes 100.0 84.5 4.935 5.842 0.907 19 11 no 0.494 0 0
1 154 LYS QD 189 no 100.0 100.0 0.084 0.084 0.000 2 1 no 0.634 0 2
1 154 LYS QE 153 no 90.0 79.0 0.142 0.180 0.038 9 8 no 0.494 0 0
1 154 LYS QG 166 yes 100.0 98.5 0.478 0.485 0.007 6 3 no 0.204 0 0
1 155 GLN QB 136 yes 100.0 99.4 3.876 3.898 0.023 11 10 no 0.456 0 0
1 155 GLN QE 145 yes 90.0 98.0 0.323 0.330 0.006 10 6 no 0.144 0 0
1 155 GLN QG 190 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 156 PHE QB 15 yes 100.0 82.7 0.761 0.921 0.159 30 14 no 0.690 0 1
1 157 CYS QB 64 yes 100.0 94.1 5.040 5.356 0.316 19 5 no 0.144 0 0
1 158 ASP QB 171 no 10.0 100.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 159 GLU QB 83 yes 100.0 79.7 4.011 5.031 1.020 18 7 no 0.237 0 0
1 159 GLU QG 148 yes 100.0 97.9 0.126 0.128 0.003 10 7 no 0.084 0 0
1 160 GLY QA 89 yes 100.0 86.9 3.060 3.522 0.462 17 6 no 0.147 0 0
1 161 GLY QA 125 yes 80.0 11.1 0.353 3.174 2.821 12 5 no 0.634 0 2
stop_
save_
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