NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
477636 |
2kun   |
16743 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kun
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 183
_Stereo_assign_list.Swap_count 99
_Stereo_assign_list.Swap_percentage 54.1
_Stereo_assign_list.Deassign_count 4
_Stereo_assign_list.Deassign_percentage 2.2
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 40.949
_Stereo_assign_list.Total_e_high_states 342.877
_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 2 GLN QB 183 no 95.0 99.3 0.075 0.076 0.001 1 0 no 0.356 0 0
1 9 GLN QG 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 10 TRP QB 140 yes 100.0 100.0 0.671 0.671 0.000 4 0 no 0.003 0 0
1 12 LYS QB 130 yes 100.0 92.9 0.138 0.148 0.010 5 2 no 0.338 0 0
1 12 LYS QD 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 PRO QD 153 no 100.0 100.0 0.010 0.010 0.000 4 2 no 0.338 0 0
1 15 LYS QB 155 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 15 LYS QD 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 LYS QE 122 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 15 LYS QG 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 PRO QD 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 PRO QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 LYS QB 81 no 100.0 100.0 0.007 0.007 0.000 9 2 no 0.358 0 0
1 17 LYS QD 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 LYS QE 152 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 19 ASN QD 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 MET QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 LYS QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 LYS QE 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.051 0 0
1 21 LYS QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 GLY QA 182 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 30 GLY QA 101 yes 100.0 99.4 1.104 1.111 0.006 7 1 no 0.343 0 0
1 32 VAL QG 100 no 100.0 94.6 9.983 10.554 0.571 7 1 no 0.343 0 0
1 33 VAL QG 111 no 100.0 99.7 0.573 0.575 0.002 6 0 no 0.178 0 0
1 34 GLY QA 181 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 35 GLY QA 68 no 100.0 67.9 0.028 0.042 0.013 11 8 no 0.696 0 1
1 36 LEU QB 20 yes 100.0 99.2 0.578 0.582 0.004 18 10 no 0.234 0 0
1 36 LEU QD 9 no 85.0 32.5 0.481 1.478 0.997 24 14 no 0.696 0 1
1 37 GLY QA 175 no 90.0 99.6 0.007 0.007 0.000 2 1 no 0.296 0 0
1 38 GLY QA 149 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 39 TYR QB 27 yes 100.0 99.9 1.199 1.200 0.001 16 4 no 0.103 0 0
1 40 MET QB 89 yes 100.0 100.0 1.113 1.113 0.000 8 1 no 0.002 0 0
1 40 MET QG 70 yes 100.0 100.0 1.075 1.075 0.000 10 3 no 0.000 0 0
1 41 LEU QB 36 yes 100.0 99.9 1.066 1.067 0.001 15 6 no 0.112 0 0
1 41 LEU QD 2 no 100.0 99.7 11.987 12.019 0.032 30 16 no 0.209 0 0
1 42 GLY QA 102 no 100.0 100.0 0.012 0.012 0.000 7 2 no 0.258 0 0
1 43 SER QB 174 yes 95.0 99.9 0.211 0.211 0.000 2 1 no 0.025 0 0
1 45 MET QB 88 yes 100.0 99.9 2.309 2.312 0.003 8 1 no 0.153 0 0
1 45 MET QG 62 no 100.0 100.0 0.097 0.097 0.000 11 2 no 0.693 0 4
1 46 SER QB 112 no 100.0 100.0 0.063 0.063 0.000 6 1 no 0.288 0 0
1 47 ARG QB 96 yes 100.0 100.0 0.838 0.838 0.000 8 5 no 0.004 0 0
1 47 ARG QD 17 yes 100.0 96.9 7.240 7.474 0.234 19 13 no 0.240 0 0
1 48 PRO QB 136 no 95.0 97.0 0.036 0.037 0.001 5 3 no 0.161 0 0
1 48 PRO QD 76 no 100.0 100.0 0.054 0.054 0.000 10 8 no 0.712 0 1
1 48 PRO QG 121 no 55.0 73.1 0.007 0.010 0.003 6 4 no 0.240 0 0
1 49 ILE QG 61 yes 100.0 54.6 1.089 1.995 0.907 11 2 no 0.000 0 0
1 50 ILE QG 23 no 95.0 63.6 0.015 0.024 0.009 17 5 no 0.297 0 0
1 51 HIS QB 126 no 100.0 100.0 0.029 0.029 0.000 5 0 no 0.201 0 0
1 52 PHE QB 24 yes 100.0 73.5 0.499 0.680 0.180 17 9 no 0.000 0 0
1 53 GLY QA 135 yes 100.0 100.0 0.143 0.143 0.000 5 3 no 0.000 0 0
1 54 SER QB 105 yes 100.0 87.9 2.456 2.795 0.339 7 3 yes 1.158 3 7
1 55 ASP QB 173 no 40.0 99.8 0.337 0.338 0.001 2 1 no 0.821 0 7
1 56 TYR QB 63 no 85.0 88.7 0.005 0.005 0.001 11 3 no 0.129 0 0
1 57 GLU QB 32 yes 100.0 99.9 0.800 0.801 0.000 15 3 no 0.098 0 0
1 57 GLU QG 34 yes 100.0 99.6 0.783 0.786 0.003 15 4 no 0.197 0 0
1 58 ASP QB 48 yes 100.0 99.1 0.631 0.637 0.006 13 4 no 0.245 0 0
1 59 ARG QB 55 yes 100.0 99.9 3.510 3.513 0.003 12 4 no 0.159 0 0
1 59 ARG QD 178 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 59 ARG QG 104 yes 100.0 100.0 1.132 1.132 0.000 7 3 no 0.072 0 0
1 60 TYR QB 38 yes 100.0 99.7 0.521 0.523 0.001 14 0 no 0.135 0 0
1 61 TYR QB 11 yes 100.0 84.3 2.570 3.048 0.478 22 4 no 0.180 0 0
1 62 ARG QB 75 yes 100.0 100.0 1.441 1.441 0.000 10 8 no 0.041 0 0
1 62 ARG QD 44 no 30.0 64.6 1.210 1.874 0.664 14 6 yes 1.578 10 18
1 62 ARG QG 83 yes 100.0 100.0 0.573 0.573 0.000 9 3 no 0.000 0 0
1 63 GLU QB 82 yes 100.0 100.0 1.385 1.385 0.000 9 3 no 0.022 0 0
1 63 GLU QG 42 yes 100.0 52.6 1.235 2.349 1.114 14 3 no 0.004 0 0
1 64 ASN QB 110 yes 100.0 100.0 0.208 0.208 0.000 7 6 no 0.008 0 0
1 64 ASN QD 7 no 100.0 62.1 10.109 16.290 6.181 25 10 no 0.236 0 0
1 65 MET QB 60 yes 100.0 86.1 1.817 2.110 0.294 11 2 no 0.005 0 0
1 65 MET QG 41 yes 100.0 94.9 7.875 8.300 0.425 14 3 no 0.044 0 0
1 66 HIS QB 148 yes 100.0 100.0 0.294 0.294 0.000 4 1 no 0.000 0 0
1 67 ARG QB 22 yes 100.0 100.0 2.425 2.426 0.001 17 5 no 0.043 0 0
1 67 ARG QD 47 no 100.0 98.4 0.002 0.002 0.000 13 4 no 0.193 0 0
1 67 ARG QG 125 yes 100.0 99.8 0.865 0.867 0.002 5 0 no 0.156 0 0
1 68 TYR QB 31 yes 100.0 79.8 1.661 2.082 0.421 16 11 no 0.018 0 0
1 69 PRO QB 129 yes 100.0 100.0 0.451 0.451 0.000 5 1 no 0.000 0 0
1 69 PRO QD 99 yes 100.0 99.9 1.020 1.022 0.001 8 7 no 0.000 0 0
1 69 PRO QG 56 yes 100.0 99.9 2.039 2.041 0.002 12 6 no 0.123 0 0
1 70 ASN QB 73 yes 100.0 63.3 1.275 2.013 0.738 10 5 no 0.712 0 1
1 70 ASN QD 124 no 80.0 59.5 0.005 0.009 0.004 5 0 no 0.276 0 0
1 71 GLN QB 21 yes 100.0 86.6 4.189 4.835 0.647 18 11 no 0.176 0 0
1 71 GLN QE 37 no 100.0 93.3 2.967 3.179 0.212 15 9 no 0.048 0 0
1 71 GLN QG 158 no 100.0 100.0 0.014 0.014 0.000 3 0 no 0.243 0 0
1 72 VAL QG 5 no 100.0 91.9 0.968 1.053 0.085 25 8 no 0.139 0 0
1 73 TYR QB 16 yes 100.0 56.5 0.973 1.724 0.751 20 5 no 0.051 0 0
1 74 TYR QB 92 yes 100.0 100.0 0.634 0.634 0.000 8 2 no 0.000 0 0
1 75 ARG QB 120 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 75 ARG QD 177 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 75 ARG QG 80 no 100.0 5.0 0.017 0.331 0.315 9 2 no 0.578 0 1
1 76 PRO QB 147 yes 100.0 100.0 1.239 1.239 0.000 4 1 no 0.000 0 0
1 76 PRO QD 109 yes 100.0 100.0 0.331 0.331 0.000 7 5 no 0.041 0 0
1 76 PRO QG 146 yes 100.0 99.9 0.218 0.218 0.000 4 1 no 0.042 0 0
1 77 MET QB 145 yes 100.0 82.6 3.416 4.135 0.719 4 1 no 0.003 0 0
1 77 MET QG 123 no 100.0 100.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 78 ASP QB 108 yes 100.0 74.5 1.632 2.189 0.558 7 5 no 0.221 0 0
1 79 GLU QB 134 yes 100.0 99.5 0.535 0.538 0.003 5 3 no 0.221 0 0
1 82 ASN QB 119 yes 100.0 89.6 3.802 4.245 0.443 6 4 no 0.045 0 0
1 82 ASN QD 115 no 65.0 98.9 0.592 0.598 0.006 6 2 no 0.034 0 0
1 83 GLN QB 133 yes 100.0 100.0 1.344 1.344 0.000 5 3 no 0.002 0 0
1 84 ASN QB 30 yes 100.0 66.9 4.363 6.518 2.155 16 9 no 0.336 0 0
1 84 ASN QD 103 no 100.0 99.9 0.688 0.689 0.001 7 3 no 0.114 0 0
1 85 ASN QD 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.041 0 0
1 86 PHE QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 VAL QG 6 no 100.0 90.9 8.781 9.662 0.881 25 10 no 0.148 0 0
1 88 HIS QB 51 yes 100.0 83.2 5.625 6.758 1.133 13 7 no 0.148 0 0
1 89 ASP QB 144 yes 100.0 99.8 1.167 1.169 0.002 4 1 no 0.130 0 0
1 90 CYS QB 143 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 91 VAL QG 4 no 100.0 100.0 7.742 7.744 0.002 25 8 no 0.176 0 0
1 92 ASN QB 66 yes 100.0 94.3 3.734 3.960 0.226 11 4 no 0.204 0 0
1 92 ASN QD 159 no 100.0 100.0 0.004 0.004 0.000 3 1 no 0.297 0 0
1 93 ILE QG 33 yes 100.0 71.1 4.663 6.559 1.896 15 4 no 0.310 0 0
1 95 ILE QG 46 yes 100.0 100.0 3.208 3.208 0.000 13 2 no 0.000 0 0
1 96 LYS QB 50 yes 100.0 82.3 2.365 2.871 0.507 13 6 no 0.014 0 0
1 96 LYS QD 74 yes 100.0 100.0 2.835 2.835 0.000 10 6 no 0.082 0 0
1 96 LYS QE 65 yes 100.0 99.7 0.680 0.682 0.002 11 4 no 0.159 0 0
1 96 LYS QG 72 yes 95.0 98.6 0.111 0.113 0.002 10 4 no 0.094 0 0
1 97 GLN QB 98 yes 100.0 99.9 1.085 1.086 0.001 8 6 no 0.085 0 0
1 97 GLN QE 107 no 100.0 99.9 0.809 0.810 0.001 7 4 no 0.085 0 0
1 97 GLN QG 157 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 98 HIS QB 10 yes 100.0 99.9 2.666 2.668 0.002 23 4 no 0.126 0 0
1 100 VAL QG 25 no 100.0 100.0 2.621 2.622 0.001 16 0 no 0.077 0 0
1 105 LYS QB 43 yes 100.0 99.7 0.430 0.431 0.001 14 6 no 0.087 0 0
1 105 LYS QD 106 no 100.0 99.4 0.010 0.011 0.000 7 4 no 0.194 0 0
1 105 LYS QE 176 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 105 LYS QG 87 yes 100.0 100.0 1.335 1.335 0.000 8 0 no 0.014 0 0
1 107 GLU QB 78 yes 100.0 100.0 1.492 1.492 0.000 9 0 no 0.000 0 0
1 107 GLU QG 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 ASN QB 77 yes 100.0 100.0 1.684 1.685 0.000 9 0 no 0.052 0 0
1 108 ASN QD 156 no 100.0 100.0 0.329 0.330 0.000 3 0 no 0.032 0 0
1 109 PHE QB 59 yes 100.0 100.0 1.754 1.754 0.000 11 2 no 0.000 0 0
1 111 GLU QB 95 yes 100.0 100.0 0.181 0.181 0.000 8 3 no 0.013 0 0
1 111 GLU QG 49 yes 100.0 100.0 1.664 1.664 0.000 13 6 no 0.079 0 0
1 113 ASP QB 26 yes 100.0 88.9 5.286 5.943 0.658 16 4 no 0.122 0 0
1 114 VAL QG 8 no 100.0 96.9 19.393 20.018 0.625 24 9 no 0.336 0 0
1 115 LYS QB 71 yes 100.0 100.0 0.102 0.102 0.000 10 4 no 0.000 0 0
1 115 LYS QD 64 yes 100.0 99.9 4.497 4.501 0.004 11 4 no 0.124 0 0
1 115 LYS QE 52 yes 100.0 85.0 0.939 1.104 0.165 13 8 no 0.029 0 0
1 115 LYS QG 94 yes 100.0 99.9 0.381 0.382 0.000 8 3 no 0.079 0 0
1 116 MET QB 53 yes 100.0 99.9 5.323 5.329 0.007 12 3 no 0.204 0 0
1 116 MET QG 12 yes 100.0 94.9 4.611 4.861 0.250 22 6 no 0.058 0 0
1 117 MET QB 13 no 90.0 23.8 0.417 1.751 1.334 21 6 yes 0.854 0 15
1 117 MET QG 54 yes 100.0 99.1 0.167 0.169 0.002 12 4 no 0.141 0 0
1 118 GLU QG 79 yes 100.0 99.9 0.454 0.455 0.000 9 1 no 0.062 0 0
1 119 ARG QB 91 no 100.0 100.0 0.007 0.007 0.000 8 2 no 0.182 0 0
1 119 ARG QD 18 yes 100.0 72.2 2.328 3.223 0.895 18 7 no 0.182 0 0
1 119 ARG QG 35 yes 100.0 97.9 0.143 0.146 0.003 15 5 no 0.177 0 0
1 120 VAL QG 1 no 100.0 97.8 30.750 31.428 0.678 39 19 no 0.236 0 0
1 121 VAL QG 3 no 100.0 91.4 11.049 12.083 1.034 28 8 no 0.496 0 0
1 122 GLU QB 86 yes 100.0 100.0 3.873 3.873 0.001 9 6 no 0.086 0 0
1 122 GLU QG 118 yes 100.0 100.0 0.262 0.262 0.000 6 4 no 0.000 0 0
1 123 PRO QB 180 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 123 PRO QD 14 yes 100.0 56.6 4.769 8.421 3.651 21 7 no 0.045 0 0
1 123 PRO QG 154 yes 100.0 98.1 0.171 0.174 0.003 4 3 no 0.100 0 0
1 124 MET QB 93 yes 100.0 99.8 1.331 1.333 0.003 8 3 no 0.131 0 0
1 124 MET QG 19 yes 100.0 99.2 1.583 1.595 0.012 18 8 no 0.216 0 0
1 125 CYS QB 15 yes 100.0 71.3 7.491 10.500 3.010 21 8 yes 1.496 20 20
1 126 ILE QG 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 128 GLN QB 84 yes 100.0 100.0 1.273 1.273 0.000 9 4 no 0.064 0 0
1 128 GLN QE 132 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 128 GLN QG 90 yes 100.0 99.9 2.074 2.076 0.002 8 2 no 0.187 0 0
1 129 TYR QB 45 yes 100.0 99.9 0.366 0.367 0.000 13 2 no 0.054 0 0
1 130 GLU QB 85 yes 100.0 100.0 1.529 1.530 0.001 9 5 no 0.061 0 0
1 130 GLU QG 40 yes 100.0 99.9 1.637 1.639 0.002 14 1 no 0.151 0 0
1 131 ARG QB 131 no 80.0 36.5 0.021 0.057 0.036 5 3 no 0.455 0 0
1 131 ARG QD 29 yes 100.0 73.6 4.164 5.661 1.497 16 7 no 0.078 0 0
1 131 ARG QG 69 no 85.0 24.4 0.030 0.124 0.094 10 3 no 0.693 0 4
1 132 GLU QB 179 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 133 SER QB 58 yes 100.0 100.0 1.170 1.170 0.000 11 2 no 0.061 0 0
1 134 GLN QB 117 no 100.0 100.0 0.074 0.074 0.000 6 4 no 0.311 0 0
1 134 GLN QE 57 no 100.0 11.5 0.127 1.104 0.977 12 8 no 0.311 0 0
1 134 GLN QG 114 no 100.0 99.3 0.051 0.052 0.000 6 2 no 0.042 0 0
1 136 TYR QB 39 yes 100.0 99.8 1.891 1.895 0.004 14 1 no 0.000 0 0
1 137 TYR QB 28 no 70.0 9.0 0.041 0.455 0.414 16 7 no 0.439 0 0
1 138 GLN QB 97 yes 100.0 82.3 0.415 0.505 0.089 8 6 no 0.439 0 0
1 138 GLN QE 116 no 95.0 99.7 0.132 0.133 0.000 6 3 no 0.053 0 0
1 138 GLN QG 67 yes 100.0 80.9 3.461 4.279 0.817 11 7 no 0.040 0 0
1 139 ARG QB 113 yes 75.0 89.9 0.356 0.396 0.040 6 2 no 0.245 0 0
1 139 ARG QD 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 ARG QG 128 no 100.0 100.0 0.040 0.040 0.000 5 1 no 0.245 0 0
1 140 GLY QA 127 no 100.0 100.0 0.094 0.094 0.000 5 1 no 0.371 0 0
1 141 SER QB 142 yes 100.0 100.0 0.836 0.836 0.000 4 1 no 0.030 0 0
1 142 SER QB 151 yes 100.0 99.9 0.486 0.486 0.000 4 2 no 0.039 0 0
1 143 HIS QB 150 no 100.0 12.9 0.064 0.496 0.432 4 2 no 0.283 0 0
stop_
save_
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