NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
390395 |
1oca   |
cing | recoord | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1oca
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 208
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 0
_Stereo_assign_list.Deassign_percentage 0.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 0.479
_Stereo_assign_list.Total_e_high_states 44.089
_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 QG 192 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 2 VAL QG 73 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 3 ASN QB 30 no 100.0 99.1 0.293 0.296 0.003 18 8 no 0.078 0 0
1 3 ASN QD 28 no 65.0 95.0 0.143 0.150 0.007 18 7 no 0.085 0 0
1 4 PRO QB 59 no 95.0 98.2 0.378 0.385 0.007 13 9 no 0.084 0 0
1 4 PRO QD 72 no 0.0 0.0 0.000 0.003 0.003 12 6 no 0.077 0 0
1 4 PRO QG 22 no 100.0 99.8 0.309 0.310 0.001 19 9 no 0.087 0 0
1 6 VAL QG 13 no 80.0 100.0 0.273 0.273 0.000 34 10 no 0.000 0 0
1 7 PHE QB 79 no 100.0 0.0 0.000 0.004 0.004 12 8 no 0.074 0 0
1 8 PHE QB 32 no 100.0 99.8 0.719 0.720 0.001 17 3 no 0.067 0 0
1 9 ASP QB 69 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.066 0 0
1 10 ILE QG 131 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 12 VAL QG 6 no 100.0 100.0 0.224 0.224 0.000 47 18 no 0.000 0 0
1 13 ASP QB 122 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.080 0 0
1 14 GLY QA 171 no 100.0 100.0 0.036 0.036 0.000 5 0 no 0.000 0 0
1 15 GLU QG 130 no 0.0 0.0 0.000 0.003 0.003 8 4 no 0.091 0 0
1 16 PRO QB 119 no 100.0 99.2 1.568 1.580 0.013 8 0 no 0.099 0 0
1 16 PRO QD 129 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.091 0 0
1 16 PRO QG 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 LEU QB 118 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 17 LEU QD 12 no 100.0 100.0 0.781 0.781 0.000 34 6 no 0.000 0 0
1 18 GLY QA 100 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.070 0 0
1 19 ARG QB 154 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.044 0 0
1 19 ARG QD 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 19 ARG QG 188 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 VAL QG 2 no 100.0 100.0 1.793 1.793 0.000 59 15 no 0.000 0 0
1 21 SER QB 15 no 90.0 0.0 0.000 0.005 0.005 28 18 no 0.087 0 0
1 22 PHE QB 33 no 100.0 100.0 0.342 0.342 0.000 17 7 no 0.027 0 0
1 23 GLU QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 GLU QG 78 no 100.0 0.0 0.000 0.011 0.011 12 8 no 0.085 0 0
1 24 LEU QB 27 no 100.0 98.7 0.409 0.414 0.005 18 6 no 0.083 0 0
1 24 LEU QD 10 no 100.0 100.0 1.453 1.453 0.000 39 14 no 0.000 0 0
1 25 PHE QB 17 no 100.0 99.8 1.080 1.082 0.002 21 7 no 0.070 0 0
1 27 ASP QB 187 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.088 0 0
1 28 LYS QD 128 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.076 0 0
1 29 VAL QG 4 no 100.0 100.0 2.573 2.573 0.000 49 19 no 0.000 0 0
1 30 PRO QB 105 no 100.0 99.9 4.664 4.668 0.004 9 2 no 0.080 0 0
1 30 PRO QD 121 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 31 LYS QB 77 no 100.0 0.0 0.000 0.004 0.004 12 8 no 0.080 0 0
1 31 LYS QD 191 no 100.0 0.0 0.000 0.004 0.004 4 4 no 0.080 0 0
1 31 LYS QE 76 no 100.0 0.0 0.000 0.003 0.003 12 8 no 0.080 0 0
1 31 LYS QG 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 34 GLU QB 90 no 100.0 99.3 0.609 0.614 0.004 10 2 no 0.082 0 0
1 34 GLU QG 153 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 35 ASN QB 82 no 15.0 86.1 0.007 0.008 0.001 11 0 no 0.054 0 0
1 35 ASN QD 56 no 90.0 56.4 0.004 0.006 0.003 13 2 no 0.092 0 0
1 36 PHE QB 89 no 100.0 98.7 0.376 0.381 0.005 10 2 no 0.082 0 0
1 37 ARG QB 152 no 100.0 0.0 0.000 0.006 0.006 6 0 no 0.087 0 0
1 37 ARG QD 132 no 0.0 0.0 0.000 0.003 0.003 8 8 no 0.087 0 0
1 37 ARG QG 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 LEU QB 84 no 100.0 99.8 2.958 2.964 0.007 11 2 no 0.078 0 0
1 39 LEU QD 9 no 100.0 100.0 1.052 1.052 0.000 39 6 no 0.000 0 0
1 40 SER QB 49 no 100.0 0.0 0.000 0.002 0.002 14 4 no 0.082 0 0
1 42 GLY QA 99 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.080 0 0
1 43 GLU QB 81 no 100.0 99.7 1.036 1.038 0.003 11 0 no 0.075 0 0
1 43 GLU QG 38 no 100.0 0.0 0.000 0.001 0.001 16 4 no 0.065 0 0
1 44 LYS QB 117 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.074 0 0
1 44 LYS QE 48 no 100.0 0.0 0.000 0.002 0.002 14 4 no 0.083 0 0
1 46 PHE QB 116 no 100.0 0.0 0.000 0.009 0.009 8 0 no 0.091 0 0
1 47 GLY QA 52 no 100.0 0.0 0.000 0.002 0.002 14 8 no 0.078 0 0
1 48 TYR QB 103 no 25.0 99.8 0.040 0.040 0.000 9 0 no 0.034 0 0
1 49 LYS QB 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.070 0 0
1 49 LYS QD 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.066 0 0
1 49 LYS QE 169 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.077 0 0
1 49 LYS QG 29 no 0.0 0.0 0.000 0.002 0.002 18 8 no 0.080 0 0
1 50 GLY QA 168 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 51 SER QB 167 no 100.0 0.0 0.000 0.003 0.003 6 4 no 0.093 0 0
1 53 PHE QB 55 no 100.0 100.0 0.785 0.786 0.000 13 0 no 0.036 0 0
1 54 HIS QB 127 no 100.0 0.0 0.000 0.004 0.004 8 4 no 0.085 0 0
1 55 ARG QB 98 no 100.0 0.0 0.000 0.007 0.007 10 4 no 0.095 0 0
1 55 ARG QD 51 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.077 0 0
1 55 ARG QG 166 no 100.0 0.0 0.000 0.002 0.002 6 4 no 0.067 0 0
1 56 ILE QG 201 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.080 0 0
1 57 ILE QG 68 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.084 0 0
1 58 PRO QB 208 no 10.0 100.0 0.002 0.002 0.000 1 0 no 0.000 0 0
1 58 PRO QD 115 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 58 PRO QG 151 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.075 0 0
1 59 GLY QA 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 60 PHE QB 88 no 100.0 0.0 0.000 0.004 0.004 10 0 no 0.082 0 0
1 61 MET QB 46 no 100.0 98.7 0.281 0.285 0.004 14 3 no 0.079 0 0
1 62 CYS QB 60 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 63 GLN QB 97 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 63 GLN QG 150 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.078 0 0
1 64 GLY QA 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.060 0 0
1 65 GLY QA 102 no 100.0 99.8 0.897 0.898 0.002 9 0 no 0.080 0 0
1 66 ASP QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 67 PHE QB 190 no 100.0 0.0 0.000 0.003 0.003 4 4 no 0.093 0 0
1 69 ARG QB 42 no 100.0 99.9 1.051 1.052 0.001 15 5 no 0.072 0 0
1 69 ARG QD 197 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.092 0 0
1 69 ARG QG 67 no 5.0 0.0 0.000 0.005 0.005 12 4 no 0.088 0 0
1 71 ASN QD 172 no 70.0 99.8 0.499 0.500 0.001 5 3 no 0.072 0 0
1 74 GLY QA 101 no 100.0 0.0 0.000 0.002 0.002 10 6 no 0.075 0 0
1 75 GLY QA 183 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.101 0 0
1 76 LYS QB 80 no 100.0 98.7 0.470 0.476 0.006 11 0 no 0.088 0 0
1 76 LYS QG 114 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.032 0 0
1 78 ILE QG 149 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.067 0 0
1 79 TYR QB 148 no 100.0 100.0 0.094 0.094 0.000 6 0 no 0.000 0 0
1 81 GLU QG 113 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 82 LYS QB 112 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.086 0 0
1 82 LYS QD 111 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.077 0 0
1 84 GLU QB 96 no 5.0 0.0 0.000 0.009 0.009 10 4 no 0.088 0 0
1 84 GLU QG 95 no 100.0 0.0 0.000 0.003 0.003 10 4 no 0.077 0 0
1 85 ASP QB 94 no 0.0 0.0 0.000 0.005 0.005 10 4 no 0.096 0 0
1 86 GLU QB 126 no 100.0 0.0 0.000 0.004 0.004 8 4 no 0.099 0 0
1 87 ASN QB 39 no 100.0 98.8 0.831 0.841 0.010 16 6 no 0.094 0 0
1 87 ASN QD 21 no 100.0 99.4 0.894 0.899 0.005 19 5 no 0.094 0 0
1 88 PHE QB 165 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.008 0 0
1 89 ILE QG 66 no 100.0 0.0 0.000 0.007 0.007 12 4 no 0.094 0 0
1 90 LEU QB 65 no 100.0 99.1 0.257 0.259 0.002 12 4 no 0.085 0 0
1 90 LEU QD 7 no 100.0 100.0 0.378 0.378 0.000 44 16 no 0.000 0 0
1 91 LYS QB 83 no 100.0 94.9 0.154 0.162 0.008 11 2 no 0.098 0 0
1 91 LYS QD 189 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 91 LYS QG 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.043 0 0
1 92 HIS QB 133 no 75.0 99.8 0.206 0.206 0.000 7 0 no 0.057 0 0
1 94 GLY QA 164 no 100.0 0.0 0.000 0.008 0.008 6 4 no 0.093 0 0
1 95 PRO QB 54 no 100.0 97.6 0.213 0.218 0.005 13 0 no 0.079 0 0
1 95 PRO QD 147 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 95 PRO QG 182 no 100.0 0.0 0.000 0.007 0.007 4 0 no 0.086 0 0
1 96 GLY QA 64 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 97 ILE QG 146 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.071 0 0
1 98 LEU QB 47 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 98 LEU QD 1 no 100.0 0.0 0.000 0.000 0.000 62 17 no 0.000 0 0
1 99 SER QB 20 no 30.0 74.9 0.015 0.020 0.005 19 4 no 0.084 0 0
1 100 MET QB 110 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 100 MET QG 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 102 ASN QB 87 no 100.0 98.7 0.661 0.670 0.009 10 0 no 0.085 0 0
1 102 ASN QD 195 no 35.0 100.0 0.029 0.029 0.000 2 0 no 0.000 0 0
1 104 GLY QA 163 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 105 PRO QB 162 no 100.0 9.2 0.000 0.001 0.001 6 4 no 0.071 0 0
1 105 PRO QD 161 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 106 ASN QB 170 no 75.0 99.9 0.103 0.103 0.000 5 0 no 0.042 0 0
1 106 ASN QD 173 no 100.0 0.0 0.000 0.001 0.001 5 4 no 0.071 0 0
1 108 ASN QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 ASN QD 104 no 55.0 97.6 0.105 0.108 0.003 9 2 no 0.090 0 0
1 109 GLY QA 40 no 100.0 99.9 1.163 1.164 0.001 15 0 no 0.068 0 0
1 110 SER QB 158 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 111 GLN QB 180 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.089 0 0
1 111 GLN QE 145 no 80.0 99.6 1.147 1.151 0.005 6 0 no 0.083 0 0
1 111 GLN QG 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.029 0 0
1 113 PHE QB 37 no 75.0 100.0 0.014 0.014 0.000 16 3 no 0.000 0 0
1 114 ILE QG 125 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 115 CYS QB 35 no 100.0 97.9 0.225 0.230 0.005 16 0 no 0.080 0 0
1 118 LYS QB 63 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.012 0 0
1 120 GLU QB 45 no 100.0 90.3 0.136 0.151 0.015 14 2 no 0.089 0 0
1 120 GLU QG 44 no 100.0 0.0 0.000 0.006 0.006 14 2 no 0.089 0 0
1 121 TRP QB 144 no 100.0 99.7 0.156 0.156 0.001 6 0 no 0.055 0 0
1 122 LEU QB 41 no 100.0 99.3 1.133 1.141 0.008 15 1 no 0.089 0 0
1 122 LEU QD 14 no 100.0 100.0 0.559 0.559 0.000 29 1 no 0.000 0 0
1 123 ASP QB 143 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.087 0 0
1 124 GLY QA 160 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 125 LYS QB 109 no 100.0 0.0 0.000 0.005 0.005 8 0 no 0.089 0 0
1 125 LYS QG 178 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.086 0 0
1 126 HIS QB 57 no 100.0 100.0 0.158 0.158 0.000 13 3 no 0.008 0 0
1 127 VAL QG 5 no 100.0 100.0 0.296 0.296 0.000 48 14 no 0.000 0 0
1 128 VAL QG 3 no 100.0 100.0 1.317 1.317 0.000 49 15 no 0.000 0 0
1 129 PHE QB 71 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 130 GLY QA 31 no 100.0 0.0 0.000 0.001 0.001 18 10 no 0.070 0 0
1 131 LYS QD 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 131 LYS QG 142 no 0.0 0.0 0.000 0.003 0.003 6 0 no 0.090 0 0
1 132 VAL QG 8 no 100.0 100.0 0.572 0.572 0.000 40 11 no 0.000 0 0
1 133 LYS QB 26 no 100.0 0.0 0.000 0.007 0.007 18 4 no 0.095 0 0
1 133 LYS QG 124 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 134 GLU QB 62 no 100.0 0.0 0.000 0.011 0.011 12 4 no 0.098 0 0
1 134 GLU QG 75 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.057 0 0
1 135 GLY QA 50 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.057 0 0
1 136 MET QB 134 no 100.0 99.4 0.165 0.166 0.001 7 2 no 0.086 0 0
1 136 MET QG 157 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.079 0 0
1 137 ASN QB 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 137 ASN QD 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 138 ILE QG 53 no 100.0 0.0 0.000 0.001 0.001 14 10 no 0.060 0 0
1 139 VAL QG 16 no 100.0 100.0 0.308 0.308 0.000 25 3 no 0.000 0 0
1 140 GLU QB 140 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.083 0 0
1 140 GLU QG 139 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.068 0 0
1 142 MET QB 25 no 100.0 99.2 1.264 1.275 0.010 18 2 no 0.084 0 0
1 142 MET QG 24 no 90.0 100.0 0.351 0.351 0.000 18 2 no 0.000 0 0
1 143 GLU QB 86 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.064 0 0
1 143 GLU QG 34 no 80.0 98.9 0.267 0.270 0.003 16 0 no 0.085 0 0
1 144 ARG QB 175 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.092 0 0
1 144 ARG QG 138 no 0.0 0.0 0.000 0.005 0.005 6 0 no 0.084 0 0
1 145 PHE QB 23 no 100.0 98.9 0.721 0.730 0.008 18 0 no 0.092 0 0
1 146 GLY QA 19 no 100.0 99.9 0.980 0.981 0.001 19 0 no 0.073 0 0
1 147 SER QB 93 no 100.0 0.0 0.000 0.007 0.007 10 4 no 0.088 0 0
1 148 ARG QB 92 no 10.0 0.0 0.000 0.013 0.013 10 4 no 0.093 0 0
1 148 ARG QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 149 ASN QB 108 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.046 0 0
1 149 ASN QD 120 no 55.0 100.0 0.235 0.235 0.000 8 2 no 0.000 0 0
1 150 GLY QA 18 no 100.0 0.0 0.000 0.002 0.002 20 12 no 0.067 0 0
1 151 LYS QB 70 no 100.0 0.0 0.000 0.009 0.009 12 6 no 0.087 0 0
1 151 LYS QD 159 no 100.0 0.0 0.000 0.002 0.002 6 4 no 0.059 0 0
1 151 LYS QG 74 no 0.0 0.0 0.000 0.004 0.004 12 8 no 0.076 0 0
1 153 SER QB 137 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.070 0 0
1 154 LYS QB 207 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 154 LYS QD 91 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 154 LYS QE 123 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.080 0 0
1 154 LYS QG 156 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.081 0 0
1 155 LYS QB 43 no 100.0 95.4 0.077 0.081 0.004 14 2 no 0.080 0 0
1 155 LYS QE 155 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.076 0 0
1 155 LYS QG 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 156 ILE QG 206 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 158 ILE QG 136 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 160 ASP QB 61 no 100.0 0.0 0.000 0.004 0.004 12 4 no 0.085 0 0
1 161 CYS QB 85 no 0.0 0.0 0.000 0.004 0.004 10 0 no 0.084 0 0
1 162 GLY QA 107 no 100.0 0.0 0.000 0.004 0.004 8 0 no 0.081 0 0
1 163 GLN QB 106 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.080 0 0
1 163 GLN QE 58 no 45.0 99.0 0.222 0.224 0.002 13 6 no 0.077 0 0
1 163 GLN QG 36 no 100.0 0.0 0.000 0.003 0.003 16 2 no 0.096 0 0
1 164 LEU QD 11 no 100.0 100.0 1.098 1.098 0.000 34 6 no 0.000 0 0
1 165 GLU QB 135 no 0.0 0.0 0.000 0.004 0.004 6 0 no 0.089 0 0
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save_
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