Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581876 | 2m68 RC | 19117 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2m68
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 204
_Stereo_assign_list.Swap_count 37
_Stereo_assign_list.Swap_percentage 18.1
_Stereo_assign_list.Deassign_count 44
_Stereo_assign_list.Deassign_percentage 21.6
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 33.451
_Stereo_assign_list.Total_e_high_states 515.646
_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 MET QB 191 no 90.0 96.2 0.014 0.014 0.001 4 0 no 0.265 0 0
1 2 LYS QB 126 no 45.0 71.4 0.025 0.034 0.010 9 4 no 0.795 0 1
1 2 LYS QD 197 no 85.0 92.4 0.013 0.014 0.001 3 2 no 0.117 0 0
1 2 LYS QG 77 no 85.0 45.8 0.008 0.017 0.009 12 6 no 0.400 0 0
1 3 SER QB 170 no 30.0 83.4 0.036 0.044 0.007 6 0 no 0.157 0 0
1 4 ASN QB 68 no 35.0 82.0 0.036 0.044 0.008 12 4 no 0.238 0 0
1 4 ASN QD 127 no 80.0 88.0 0.744 0.846 0.101 9 6 yes 1.488 1 3
1 5 GLU QB 138 no 70.0 84.7 0.098 0.115 0.018 8 2 no 0.355 0 0
1 5 GLU QG 101 no 75.0 54.1 0.270 0.499 0.229 10 2 no 0.984 0 6
1 6 HIS QB 148 yes 90.0 92.5 0.122 0.132 0.010 7 0 no 0.374 0 0
1 7 ASP QB 169 no 45.0 59.2 0.156 0.264 0.108 6 0 no 0.753 0 4
1 8 ASP QB 103 no 60.0 54.0 0.151 0.279 0.128 10 3 no 0.746 0 3
1 9 CYS QB 168 no 85.0 5.4 0.004 0.065 0.062 6 0 no 0.846 0 1
1 10 GLN QB 41 no 100.0 97.8 2.252 2.304 0.051 15 7 no 0.631 0 1
1 10 GLN QE 161 no 100.0 99.5 0.054 0.055 0.000 7 5 no 0.043 0 0
1 10 GLN QG 92 no 100.0 98.1 1.198 1.221 0.023 11 6 no 0.421 0 0
1 11 VAL QG 3 no 100.0 99.2 12.906 13.009 0.103 44 18 yes 1.064 1 3
1 13 ASN QB 27 no 100.0 99.9 2.742 2.746 0.003 18 6 no 0.071 0 0
1 13 ASN QD 48 no 60.0 98.4 0.186 0.189 0.003 14 5 no 0.071 0 0
1 14 PRO QB 106 no 100.0 100.0 1.110 1.110 0.000 10 4 no 0.000 0 0
1 14 PRO QD 159 no 100.0 100.0 0.927 0.927 0.000 7 4 no 0.000 0 0
1 14 PRO QG 125 yes 100.0 99.0 4.690 4.735 0.045 9 4 no 0.545 0 3
1 15 SER QB 65 no 50.0 0.1 0.005 3.478 3.473 12 3 yes 1.193 10 10
1 17 GLY QA 112 no 100.0 99.3 0.276 0.277 0.002 9 0 no 0.056 0 0
1 18 HIS QB 100 no 100.0 99.9 0.440 0.440 0.000 10 2 no 0.042 0 0
1 19 LEU QB 85 no 100.0 100.0 0.250 0.250 0.000 11 3 no 0.009 0 0
1 19 LEU QD 20 no 100.0 100.0 8.447 8.450 0.003 25 9 no 0.080 0 0
1 20 PHE QB 156 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 21 ASP QB 97 no 75.0 59.9 0.714 1.191 0.477 10 0 yes 1.321 5 7
1 22 LEU QB 22 no 100.0 99.9 0.642 0.642 0.000 21 9 no 0.064 0 0
1 22 LEU QD 1 no 100.0 99.9 19.858 19.875 0.017 51 25 no 0.057 0 0
1 23 SER QB 167 yes 90.0 94.5 0.276 0.292 0.016 6 0 no 0.562 0 1
1 24 SER QB 182 no 85.0 76.1 0.130 0.171 0.041 5 0 no 0.419 0 0
1 25 LEU QB 72 yes 100.0 100.0 0.656 0.656 0.000 12 5 no 0.012 0 0
1 25 LEU QD 18 no 100.0 98.2 14.611 14.879 0.268 26 8 no 0.032 0 0
1 26 SER QB 98 no 50.0 71.2 1.409 1.980 0.571 10 1 yes 1.201 4 11
1 27 GLY QA 147 no 100.0 100.0 0.209 0.209 0.000 7 0 no 0.000 0 0
1 28 ARG QB 36 no 100.0 98.7 0.970 0.983 0.013 15 2 no 0.277 0 0
1 28 ARG QD 121 no 35.0 56.5 0.017 0.030 0.013 9 3 no 0.277 0 0
1 28 ARG QG 151 yes 100.0 100.0 0.922 0.922 0.000 7 1 no 0.022 0 0
1 30 GLY QA 80 yes 100.0 99.7 0.103 0.104 0.000 11 0 no 0.043 0 0
1 31 PHE QB 131 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 35 TYR QB 181 no 25.0 100.0 0.001 0.001 0.000 5 0 no 0.000 0 0
1 37 LYS QB 47 no 55.0 38.4 0.220 0.573 0.353 14 5 yes 1.711 1 10
1 37 LYS QD 155 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 37 LYS QE 160 no 85.0 79.7 1.832 2.300 0.468 7 5 yes 1.441 1 16
1 37 LYS QG 51 no 100.0 100.0 0.095 0.095 0.000 14 7 no 0.403 0 0
1 38 GLY QA 166 no 100.0 100.0 1.347 1.347 0.000 6 0 no 0.022 0 0
1 39 TRP QB 130 no 90.0 0.1 0.000 0.132 0.132 8 0 no 0.745 0 2
1 40 GLY QA 35 no 90.0 91.1 0.656 0.720 0.064 15 0 no 0.605 0 3
1 41 VAL QG 4 no 100.0 94.0 30.530 32.466 1.936 43 10 no 0.079 0 0
1 42 TYR QB 146 no 90.0 100.0 0.107 0.107 0.000 7 0 no 0.019 0 0
1 43 MET QB 31 yes 100.0 100.0 3.695 3.695 0.000 17 5 no 0.035 0 0
1 43 MET QG 67 no 75.0 78.1 0.377 0.483 0.106 12 4 no 0.642 0 3
1 44 SER QB 96 no 40.0 11.5 0.080 0.695 0.615 10 0 yes 0.964 0 15
1 45 ILE QG 111 no 15.0 100.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 46 CYS QB 150 no 30.0 54.7 0.085 0.155 0.070 7 1 no 0.000 0 0
1 47 GLY QA 149 yes 80.0 71.9 0.135 0.188 0.053 7 1 no 0.018 0 0
1 48 GLU QB 84 no 60.0 27.8 0.052 0.188 0.136 11 2 no 0.502 0 1
1 48 GLU QG 64 no 60.0 24.7 0.069 0.278 0.209 12 3 yes 0.870 0 13
1 49 ASN QB 54 no 85.0 53.1 0.147 0.276 0.129 13 0 yes 1.150 1 3
1 49 ASN QD 204 yes 100.0 100.0 0.850 0.850 0.000 1 0 no 0.007 0 0
1 50 GLU QB 129 no 90.0 99.4 0.013 0.013 0.000 8 0 no 0.254 0 0
1 50 GLU QG 110 yes 90.0 75.6 0.277 0.367 0.089 9 0 no 0.955 0 2
1 51 ASN QB 165 yes 100.0 100.0 0.131 0.131 0.000 6 0 no 0.022 0 0
1 52 CYS QB 142 yes 100.0 99.9 1.761 1.763 0.002 8 3 yes 1.708 19 19
1 54 PRO QB 153 no 100.0 100.0 0.284 0.284 0.000 7 2 no 0.000 0 0
1 54 PRO QG 177 no 100.0 100.0 0.123 0.123 0.000 6 2 no 0.000 0 0
1 55 GLY QA 128 no 100.0 100.0 1.119 1.119 0.000 8 0 no 0.037 0 0
1 56 VAL QG 10 no 95.0 89.0 11.255 12.642 1.387 31 9 yes 1.994 4 10
1 57 GLY QA 25 no 100.0 97.0 1.509 1.556 0.047 18 1 no 0.033 0 0
1 59 CYS QB 120 no 100.0 75.3 0.223 0.296 0.073 9 3 yes 0.786 0 17
1 60 PHE QB 99 no 100.0 100.0 0.806 0.806 0.000 10 2 no 0.000 0 0
1 61 GLY QA 164 yes 100.0 100.0 0.152 0.152 0.000 6 0 no 0.000 0 0
1 62 GLN QB 45 no 65.0 90.7 0.020 0.022 0.002 14 4 no 0.133 0 0
1 62 GLN QE 158 no 65.0 8.0 0.004 0.047 0.043 7 4 no 0.635 0 2
1 62 GLN QG 105 no 95.0 15.8 0.007 0.043 0.036 10 4 no 0.635 0 2
1 64 ARG QB 190 no 60.0 96.5 0.036 0.038 0.001 4 0 no 0.128 0 0
1 64 ARG QD 176 no 100.0 79.9 0.003 0.003 0.001 6 2 no 0.154 0 0
1 64 ARG QG 175 no 40.0 54.7 0.008 0.016 0.007 6 2 no 0.385 0 0
1 65 ILE QG 109 no 80.0 50.5 0.001 0.002 0.001 9 0 no 0.052 0 0
1 66 SER QB 137 no 90.0 90.0 0.631 0.701 0.070 8 2 no 0.098 0 0
1 67 VAL QG 8 no 100.0 98.1 17.641 17.988 0.346 40 12 no 0.233 0 0
1 68 GLY QA 145 no 100.0 100.0 0.402 0.402 0.000 7 0 no 0.022 0 0
1 69 LYS QB 154 no 60.0 64.0 0.094 0.147 0.053 7 3 yes 1.227 2 10
1 69 LYS QD 141 no 50.0 80.8 0.653 0.808 0.155 8 3 yes 1.178 1 3
1 69 LYS QE 187 no 85.0 95.1 0.007 0.007 0.000 5 5 no 0.350 0 0
1 69 LYS QG 107 no 55.0 1.5 0.007 0.476 0.469 10 5 yes 1.016 2 13
1 71 ASN QB 86 no 80.0 49.1 0.506 1.032 0.526 11 4 yes 1.117 1 3
1 71 ASN QD 102 yes 100.0 95.2 0.402 0.422 0.020 10 3 no 0.544 0 1
1 72 LYS QB 91 no 70.0 57.8 0.153 0.265 0.112 11 6 yes 1.155 1 8
1 72 LYS QD 157 no 30.0 29.4 0.064 0.217 0.153 7 4 yes 1.593 1 2
1 72 LYS QE 186 no 50.0 21.9 0.037 0.171 0.134 5 4 no 0.809 0 4
1 72 LYS QG 93 no 90.0 84.7 0.552 0.652 0.100 11 7 yes 1.044 1 3
1 73 ARG QB 136 no 100.0 100.0 0.077 0.077 0.000 8 2 no 0.000 0 0
1 73 ARG QD 28 no 65.0 56.8 0.078 0.138 0.060 18 9 no 0.520 0 1
1 73 ARG QG 29 no 100.0 91.6 2.775 3.028 0.253 18 12 yes 1.371 3 3
1 74 LEU QB 38 no 100.0 100.0 0.788 0.788 0.000 15 5 yes 0.860 0 24
1 74 LEU QD 7 no 100.0 99.4 36.185 36.399 0.214 42 17 yes 1.251 20 30
1 75 ARG QB 71 no 100.0 99.9 0.755 0.756 0.001 12 5 no 0.000 0 0
1 75 ARG QD 19 no 55.0 66.7 2.227 3.338 1.111 26 18 yes 1.438 1 8
1 75 ARG QG 23 no 80.0 85.5 0.164 0.192 0.028 21 15 no 0.520 0 1
1 76 TYR QB 89 no 60.0 24.5 0.013 0.053 0.040 11 5 no 0.405 0 0
1 77 VAL QG 9 no 100.0 98.9 18.338 18.549 0.211 34 14 no 0.893 0 2
1 78 ASP QB 70 no 90.0 73.2 2.109 2.883 0.774 12 5 no 0.893 0 2
1 79 GLN QB 76 yes 100.0 97.6 1.508 1.545 0.037 12 6 no 0.326 0 0
1 79 GLN QE 162 no 85.0 96.4 1.259 1.306 0.047 7 6 no 0.402 0 0
1 79 GLN QG 75 no 60.0 8.7 0.024 0.278 0.254 12 6 no 0.618 0 5
1 80 VAL QG 12 no 100.0 94.6 29.831 31.522 1.691 29 11 no 0.536 0 2
1 81 LEU QB 63 no 100.0 99.7 0.411 0.412 0.001 12 3 no 0.060 0 0
1 81 LEU QD 6 no 100.0 99.7 14.172 14.214 0.042 43 18 no 0.405 0 0
1 82 GLN QB 33 yes 100.0 93.1 4.743 5.094 0.350 17 10 no 0.405 0 0
1 82 GLN QE 42 no 100.0 99.8 0.962 0.964 0.002 15 13 no 0.074 0 0
1 82 GLN QG 50 no 25.0 33.2 0.151 0.454 0.303 14 7 yes 1.408 1 9
1 83 LEU QB 26 no 100.0 100.0 1.916 1.916 0.000 18 4 no 0.038 0 0
1 83 LEU QD 5 no 100.0 99.9 20.533 20.544 0.011 43 11 no 0.256 0 0
1 84 VAL QG 17 no 100.0 97.0 15.792 16.284 0.492 27 12 no 0.109 0 0
1 85 TYR QB 113 no 100.0 100.0 4.644 4.645 0.001 9 1 no 0.066 0 0
1 86 LYS QB 24 no 100.0 91.0 0.523 0.575 0.052 20 10 no 0.470 0 0
1 86 LYS QD 94 no 100.0 100.0 0.191 0.191 0.000 11 9 no 0.054 0 0
1 86 LYS QE 53 no 70.0 72.4 1.349 1.863 0.513 14 9 yes 1.264 4 12
1 86 LYS QG 60 no 100.0 99.9 3.332 3.336 0.003 13 8 no 0.091 0 0
1 87 ASP QB 140 no 55.0 1.1 0.002 0.224 0.221 8 3 yes 1.078 1 4
1 88 GLY QA 180 no 75.0 42.1 0.001 0.003 0.002 5 0 no 0.148 0 0
1 89 SER QB 189 no 85.0 99.7 0.077 0.077 0.000 4 0 no 0.053 0 0
1 90 PRO QB 185 yes 100.0 78.9 1.868 2.367 0.499 5 2 no 0.013 0 0
1 90 PRO QD 201 no 100.0 100.0 0.377 0.377 0.000 2 0 no 0.020 0 0
1 90 PRO QG 193 no 65.0 98.5 0.178 0.181 0.003 4 1 no 0.662 0 8
1 92 PRO QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 PRO QD 203 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 93 SER QB 188 no 45.0 43.6 0.237 0.545 0.307 4 0 yes 1.143 4 14
1 94 LYS QB 116 no 40.0 98.4 0.373 0.379 0.006 9 2 yes 1.434 3 7
1 94 LYS QD 139 yes 85.0 90.6 0.796 0.878 0.082 8 3 no 0.506 0 1
1 94 LYS QE 119 no 65.0 65.2 1.240 1.901 0.661 9 3 no 0.623 0 2
1 94 LYS QG 135 no 100.0 99.9 0.078 0.078 0.000 8 2 no 0.114 0 0
1 95 SER QB 174 no 60.0 63.6 0.465 0.731 0.266 6 2 yes 1.182 6 15
1 96 GLY QA 152 no 100.0 100.0 0.002 0.002 0.000 7 2 no 0.301 0 0
1 97 LEU QB 74 no 70.0 40.9 0.233 0.570 0.337 12 6 yes 1.234 3 6
1 97 LEU QD 15 no 100.0 96.2 24.563 25.522 0.959 28 11 yes 1.167 6 15
1 98 SER QB 44 yes 80.0 5.2 0.144 2.779 2.635 14 1 yes 1.668 8 8
1 99 TYR QB 124 yes 100.0 99.3 0.333 0.335 0.002 9 4 no 0.095 0 0
1 100 LYS QB 32 yes 100.0 99.1 0.303 0.306 0.003 17 7 no 0.020 0 0
1 100 LYS QD 143 yes 100.0 100.0 0.345 0.345 0.000 8 5 no 0.046 0 0
1 100 LYS QE 178 no 35.0 64.8 0.199 0.307 0.108 6 5 yes 1.291 3 6
1 100 LYS QG 39 yes 100.0 99.4 0.647 0.651 0.004 15 6 no 0.000 0 0
1 101 SER QB 184 no 5.0 59.0 0.015 0.025 0.010 5 2 no 0.233 0 0
1 102 VAL QG 16 no 100.0 99.4 10.487 10.552 0.065 27 4 no 0.626 0 3
1 103 ILE QG 43 yes 100.0 100.0 0.276 0.276 0.000 14 1 no 0.001 0 0
1 104 SER QB 83 no 75.0 87.0 0.366 0.421 0.055 11 2 no 0.536 0 2
1 105 PHE QB 108 no 35.0 37.6 0.002 0.006 0.004 9 0 no 0.138 0 0
1 106 VAL QG 21 no 100.0 100.0 15.821 15.821 0.000 22 3 no 0.012 0 0
1 107 CYS QB 95 no 95.0 100.0 0.092 0.092 0.000 10 0 no 0.000 0 0
1 108 ARG QB 179 no 45.0 100.0 0.009 0.009 0.000 5 0 no 0.000 0 0
1 108 ARG QD 171 no 50.0 66.4 0.086 0.129 0.043 6 1 no 0.504 0 1
1 108 ARG QG 115 no 55.0 87.6 0.816 0.931 0.115 9 2 yes 1.251 11 12
1 109 PRO QB 104 no 100.0 100.0 0.222 0.222 0.000 10 4 no 0.024 0 0
1 109 PRO QD 73 yes 90.0 86.7 0.452 0.521 0.069 12 6 no 0.537 0 1
1 109 PRO QG 196 no 100.0 100.0 0.035 0.035 0.000 3 2 no 0.000 0 0
1 110 GLU QB 66 yes 95.0 97.6 1.313 1.344 0.032 12 4 no 0.504 0 1
1 110 GLU QG 118 no 35.0 75.7 0.017 0.022 0.005 9 3 no 0.293 0 0
1 112 GLY QA 59 no 100.0 100.0 3.212 3.212 0.000 13 7 no 0.033 0 0
1 113 PRO QB 123 no 90.0 83.4 0.006 0.007 0.001 9 4 no 0.120 0 0
1 113 PRO QD 52 no 100.0 99.9 0.373 0.373 0.000 14 9 no 0.033 0 0
1 113 PRO QG 58 no 100.0 100.0 1.137 1.137 0.000 13 7 no 0.031 0 0
1 115 ASN QB 34 yes 100.0 95.4 3.720 3.899 0.179 16 4 no 0.016 0 0
1 115 ASN QD 40 yes 100.0 100.0 5.184 5.185 0.001 15 7 no 0.066 0 0
1 116 ARG QB 173 no 65.0 27.1 0.004 0.016 0.012 6 2 no 0.235 0 0
1 116 ARG QD 122 no 50.0 31.4 0.007 0.021 0.014 9 4 no 0.235 0 0
1 116 ARG QG 172 no 50.0 76.6 0.842 1.098 0.257 6 2 yes 1.728 9 10
1 117 PRO QB 192 yes 100.0 99.9 0.277 0.277 0.000 4 1 no 0.023 0 0
1 118 MET QB 114 no 90.0 94.3 2.234 2.368 0.134 9 2 no 0.866 0 4
1 118 MET QG 134 no 100.0 100.0 0.617 0.617 0.000 8 2 no 0.014 0 0
1 119 LEU QB 88 yes 100.0 100.0 0.855 0.855 0.000 11 5 no 0.000 0 0
1 119 LEU QD 2 no 100.0 99.8 22.997 23.048 0.051 47 17 no 0.062 0 0
1 120 ILE QG 202 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 121 SER QB 62 no 95.0 71.4 0.336 0.471 0.135 12 2 yes 1.274 1 2
1 122 LEU QB 57 yes 100.0 100.0 1.710 1.710 0.000 13 4 no 0.009 0 0
1 122 LEU QD 11 no 100.0 97.3 17.760 18.256 0.496 29 6 no 0.097 0 0
1 123 ASP QB 79 no 65.0 24.3 0.054 0.221 0.167 11 0 no 0.788 0 6
1 124 LYS QB 183 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 124 LYS QD 195 no 45.0 32.4 0.252 0.777 0.525 3 0 yes 1.529 9 9
1 124 LYS QE 199 no 15.0 54.8 0.012 0.022 0.010 2 0 no 0.401 0 0
1 124 LYS QG 194 no 90.0 74.7 1.127 1.509 0.382 4 2 yes 1.592 2 2
1 125 GLN QB 56 yes 100.0 99.8 0.693 0.694 0.001 13 2 no 0.065 0 0
1 125 GLN QE 198 no 100.0 88.2 1.870 2.121 0.251 3 3 no 0.000 0 0
1 125 GLN QG 49 no 45.0 8.2 0.016 0.195 0.179 14 6 yes 1.131 1 2
1 127 CYS QB 117 no 70.0 28.4 0.507 1.788 1.281 9 3 yes 1.753 6 13
1 129 LEU QB 90 no 100.0 99.9 1.102 1.103 0.001 11 6 no 0.066 0 0
1 129 LEU QD 13 no 100.0 100.0 12.837 12.838 0.001 29 12 no 0.059 0 0
1 130 PHE QB 61 yes 100.0 100.0 1.940 1.940 0.001 12 2 no 0.067 0 0
1 131 PHE QB 81 yes 100.0 69.2 1.927 2.783 0.856 11 1 no 0.095 0 0
1 132 SER QB 30 no 100.0 100.0 0.079 0.079 0.000 17 3 no 0.009 0 0
1 133 TRP QB 163 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 134 HIS QB 144 no 100.0 100.0 0.040 0.040 0.000 7 0 no 0.292 0 0
1 136 PRO QB 87 no 100.0 100.0 0.496 0.496 0.000 11 5 no 0.023 0 0
1 136 PRO QD 69 yes 100.0 100.0 3.148 3.148 0.000 12 5 no 0.000 0 0
1 136 PRO QG 78 no 100.0 100.0 1.186 1.186 0.000 12 7 no 0.019 0 0
1 137 LEU QB 46 yes 100.0 100.0 0.782 0.782 0.000 14 5 no 0.015 0 0
1 137 LEU QD 14 no 100.0 94.1 5.409 5.749 0.340 28 8 no 0.051 0 0
1 139 CYS QB 55 no 100.0 98.7 1.017 1.031 0.014 13 2 yes 1.043 1 5
1 140 GLU QB 82 yes 100.0 99.6 0.377 0.379 0.002 11 2 no 0.051 0 0
1 140 GLU QG 133 no 55.0 60.3 0.744 1.234 0.491 8 2 yes 1.534 11 22
1 141 LEU QB 132 no 50.0 33.8 0.148 0.437 0.289 8 2 no 0.819 0 11
1 141 LEU QD 37 no 75.0 67.7 1.007 1.486 0.479 15 4 yes 1.243 5 10
stop_
save_