NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
521389 |
2rs4   |
11451 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2rs4
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 195
_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 0.210
_Stereo_assign_list.Total_e_high_states 312.944
_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 VAL QG 25 no 100.0 100.0 2.421 2.421 0.000 8 0 no 0.000 0 0
1 4 PHE QB 24 no 100.0 100.0 0.224 0.224 0.000 8 0 no 0.003 0 0
1 5 HIS QB 71 no 100.0 100.0 0.815 0.816 0.000 6 2 no 0.038 0 0
1 7 ASN QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 ASN QD 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 8 HIS QB 61 no 85.0 96.3 0.015 0.016 0.001 6 1 no 0.038 0 0
1 9 GLY QA 48 no 100.0 100.0 0.537 0.537 0.000 7 2 no 0.023 0 0
1 10 ASP QB 123 no 100.0 99.9 1.291 1.293 0.001 4 1 no 0.091 0 0
1 12 VAL QG 8 no 100.0 100.0 8.252 8.252 0.000 11 1 no 0.012 0 0
1 14 LYS QB 47 no 100.0 100.0 2.972 2.973 0.001 7 2 no 0.055 0 0
1 14 LYS QD 172 no 25.0 82.2 0.013 0.016 0.003 2 0 no 0.073 0 0
1 14 LYS QG 57 no 40.0 99.9 0.608 0.609 0.000 6 0 no 0.024 0 0
1 16 PHE QB 10 no 100.0 99.7 3.371 3.383 0.011 11 2 no 0.107 0 0
1 17 ASP QB 114 no 100.0 99.9 1.474 1.476 0.001 4 0 no 0.044 0 0
1 18 ASP QB 102 no 100.0 100.0 1.582 1.582 0.000 5 3 no 0.020 0 0
1 19 LYS QB 11 no 100.0 100.0 2.192 2.193 0.000 11 5 no 0.025 0 0
1 19 LYS QD 99 no 100.0 100.0 1.683 1.683 0.000 5 2 no 0.011 0 0
1 19 LYS QE 180 no 100.0 100.0 0.221 0.221 0.000 2 1 no 0.009 0 0
1 19 LYS QG 49 no 50.0 100.0 0.063 0.063 0.000 7 4 no 0.008 0 0
1 21 PRO QB 171 no 100.0 100.0 3.103 3.103 0.000 2 0 no 0.015 0 0
1 22 GLU QB 145 no 100.0 100.0 2.316 2.316 0.000 3 0 no 0.020 0 0
1 22 GLU QG 144 no 100.0 99.9 0.924 0.924 0.001 3 0 no 0.031 0 0
1 24 VAL QG 40 no 100.0 100.0 0.145 0.145 0.000 7 0 no 0.000 0 0
1 25 LYS QB 56 no 100.0 100.0 2.369 2.370 0.000 6 0 no 0.027 0 0
1 25 LYS QD 170 no 100.0 99.9 0.228 0.228 0.000 2 0 no 0.023 0 0
1 25 LYS QG 96 no 100.0 100.0 3.848 3.848 0.000 5 1 no 0.022 0 0
1 26 ASN QB 143 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.023 0 0
1 26 ASN QD 55 no 45.0 63.2 0.028 0.044 0.016 6 0 no 0.402 0 0
1 27 PHE QB 28 no 100.0 100.0 5.895 5.896 0.001 8 1 no 0.033 0 0
1 28 LEU QB 70 no 100.0 100.0 0.540 0.540 0.000 6 2 no 0.036 0 0
1 28 LEU QD 69 no 100.0 100.0 2.264 2.265 0.001 6 2 no 0.033 0 0
1 29 ASP QB 27 no 100.0 100.0 6.448 6.450 0.001 8 1 no 0.043 0 0
1 30 TYR QB 5 no 100.0 99.9 7.695 7.701 0.006 12 1 no 0.084 0 0
1 31 CYS QB 23 no 100.0 100.0 6.434 6.434 0.000 9 3 no 0.027 0 0
1 32 ARG QB 22 no 100.0 100.0 1.408 1.408 0.000 9 2 no 0.004 0 0
1 32 ARG QD 95 no 100.0 99.9 3.003 3.006 0.004 5 1 no 0.115 0 0
1 33 GLU QB 43 no 100.0 100.0 3.448 3.449 0.001 7 1 no 0.044 0 0
1 33 GLU QG 113 no 100.0 100.0 3.593 3.594 0.000 4 0 no 0.050 0 0
1 34 GLY QA 122 no 100.0 99.9 1.752 1.753 0.001 4 1 no 0.044 0 0
1 35 PHE QB 21 no 100.0 99.9 2.564 2.565 0.001 9 1 no 0.052 0 0
1 36 TYR QB 4 no 100.0 100.0 2.731 2.731 0.000 12 1 no 0.013 0 0
1 37 ASN QB 142 no 80.0 100.0 0.127 0.127 0.000 3 0 no 0.000 0 0
1 38 ASN QB 112 no 35.0 100.0 0.097 0.097 0.000 4 0 no 0.005 0 0
1 41 PHE QB 26 no 100.0 99.9 0.359 0.360 0.001 8 1 no 0.035 0 0
1 42 HIS QB 193 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 43 ARG QB 154 no 70.0 98.9 0.188 0.190 0.002 3 1 no 0.101 0 0
1 43 ARG QD 179 no 75.0 99.1 0.281 0.283 0.002 2 1 no 0.101 0 0
1 43 ARG QG 169 no 60.0 99.6 0.249 0.250 0.001 2 0 no 0.060 0 0
1 44 VAL QG 86 no 100.0 100.0 0.439 0.439 0.000 5 0 no 0.010 0 0
1 46 ASN QB 121 no 100.0 99.9 0.493 0.494 0.001 4 1 no 0.048 0 0
1 47 GLY QA 156 no 100.0 99.9 0.258 0.259 0.000 3 2 no 0.048 0 0
1 48 PHE QB 19 no 100.0 100.0 4.494 4.494 0.000 9 0 no 0.005 0 0
1 49 MET QB 42 no 100.0 100.0 4.148 4.150 0.001 7 1 no 0.048 0 0
1 49 MET QG 39 no 100.0 100.0 4.087 4.087 0.001 7 0 no 0.030 0 0
1 51 GLN QB 94 no 100.0 100.0 1.218 1.218 0.000 5 1 no 0.034 0 0
1 51 GLN QG 153 no 5.0 99.9 0.020 0.020 0.000 3 1 no 0.013 0 0
1 53 GLY QA 85 no 100.0 100.0 2.989 2.990 0.000 5 0 no 0.025 0 0
1 54 GLY QA 192 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 55 PHE QB 3 no 100.0 100.0 6.499 6.500 0.001 12 1 no 0.056 0 0
1 56 GLU QB 178 no 100.0 100.0 1.495 1.495 0.001 2 1 no 0.056 0 0
1 56 GLU QG 141 no 15.0 100.0 0.083 0.083 0.000 3 0 no 0.000 0 0
1 57 PRO QB 177 no 100.0 100.0 0.971 0.971 0.000 2 1 no 0.027 0 0
1 58 GLY QA 101 no 100.0 99.9 2.104 2.107 0.003 5 3 no 0.060 0 0
1 59 MET QB 152 no 100.0 100.0 1.409 1.409 0.000 3 1 no 0.007 0 0
1 59 MET QG 151 no 100.0 100.0 2.872 2.873 0.001 3 1 no 0.042 0 0
1 60 LYS QB 111 no 100.0 100.0 0.196 0.196 0.000 4 0 no 0.014 0 0
1 60 LYS QE 195 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 60 LYS QG 60 no 100.0 100.0 1.194 1.194 0.000 6 1 no 0.029 0 0
1 61 GLN QB 84 no 100.0 100.0 3.018 3.018 0.000 5 0 no 0.000 0 0
1 61 GLN QG 83 no 100.0 100.0 0.870 0.870 0.000 5 0 no 0.025 0 0
1 62 LYS QB 30 no 100.0 97.9 0.641 0.655 0.014 8 2 no 0.203 0 0
1 62 LYS QD 93 no 100.0 99.9 1.501 1.502 0.001 5 1 no 0.040 0 0
1 62 LYS QE 16 no 100.0 100.0 2.380 2.381 0.000 10 2 no 0.035 0 0
1 62 LYS QG 59 no 65.0 97.1 0.284 0.292 0.009 6 1 no 0.158 0 0
1 65 LYS QB 73 no 100.0 99.8 1.742 1.746 0.004 6 3 no 0.111 0 0
1 65 LYS QD 176 no 25.0 15.8 0.001 0.005 0.004 2 1 no 0.088 0 0
1 65 LYS QE 155 no 40.0 99.3 0.371 0.373 0.002 3 2 no 0.111 0 0
1 65 LYS QG 120 no 100.0 100.0 2.096 2.096 0.000 4 1 no 0.022 0 0
1 66 GLU QB 168 no 100.0 100.0 1.826 1.826 0.001 2 0 no 0.037 0 0
1 66 GLU QG 150 no 100.0 99.9 1.010 1.011 0.001 3 1 no 0.053 0 0
1 67 PRO QB 167 no 90.0 99.9 0.057 0.057 0.000 2 0 no 0.025 0 0
1 67 PRO QD 127 no 100.0 99.9 1.258 1.259 0.001 4 2 no 0.053 0 0
1 67 PRO QG 191 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 69 LYS QB 92 no 100.0 100.0 1.057 1.057 0.000 5 1 no 0.037 0 0
1 69 LYS QD 126 no 100.0 99.9 1.862 1.864 0.002 4 2 no 0.108 0 0
1 69 LYS QG 91 no 100.0 100.0 2.202 2.202 0.000 5 1 no 0.042 0 0
1 70 ASN QB 166 no 90.0 100.0 0.067 0.067 0.000 2 0 no 0.000 0 0
1 71 GLU QB 119 no 100.0 99.9 0.115 0.115 0.000 4 1 no 0.030 0 0
1 71 GLU QG 125 no 100.0 100.0 0.252 0.252 0.000 4 2 no 0.022 0 0
1 73 ASN QB 140 no 55.0 100.0 0.514 0.514 0.000 3 0 no 0.000 0 0
1 74 ASN QB 35 no 75.0 100.0 0.661 0.661 0.000 8 5 no 0.011 0 0
1 74 ASN QD 74 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.025 0 0
1 75 GLY QA 139 no 100.0 99.8 0.257 0.257 0.000 3 0 no 0.037 0 0
1 76 LEU QB 110 no 100.0 100.0 0.507 0.507 0.000 4 0 no 0.014 0 0
1 76 LEU QD 190 no 85.0 91.9 0.082 0.089 0.007 1 0 no 0.309 0 0
1 77 LYS QB 34 no 100.0 100.0 4.329 4.331 0.002 8 4 no 0.059 0 0
1 77 LYS QG 109 no 100.0 99.5 0.469 0.471 0.002 4 0 no 0.073 0 0
1 78 ASN QB 149 no 100.0 100.0 0.616 0.616 0.000 3 1 no 0.018 0 0
1 78 ASN QD 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 80 ARG QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 GLY QA 58 no 100.0 100.0 0.819 0.819 0.000 6 1 no 0.020 0 0
1 83 LEU QB 82 no 100.0 100.0 2.964 2.964 0.000 5 0 no 0.010 0 0
1 83 LEU QD 2 no 100.0 100.0 12.728 12.733 0.005 13 2 no 0.069 0 0
1 85 MET QB 189 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 85 MET QG 107 no 75.0 100.0 0.387 0.387 0.000 4 0 no 0.016 0 0
1 87 ARG QB 138 no 10.0 100.0 0.086 0.086 0.000 3 0 no 0.016 0 0
1 87 ARG QG 137 no 95.0 99.9 0.122 0.122 0.000 3 0 no 0.026 0 0
1 89 GLN QB 164 no 20.0 85.2 0.005 0.006 0.001 2 0 no 0.060 0 0
1 89 GLN QG 81 no 95.0 98.1 0.046 0.047 0.001 5 0 no 0.089 0 0
1 91 PRO QB 163 no 100.0 100.0 1.665 1.665 0.000 2 0 no 0.014 0 0
1 91 PRO QG 136 no 100.0 100.0 1.167 1.167 0.000 3 0 no 0.017 0 0
1 92 HIS QB 90 no 100.0 100.0 1.059 1.059 0.000 5 1 no 0.000 0 0
1 93 SER QB 80 no 100.0 100.0 0.221 0.221 0.000 5 0 no 0.000 0 0
1 97 GLN QB 79 no 100.0 99.9 1.911 1.912 0.001 5 0 no 0.061 0 0
1 98 PHE QB 38 no 100.0 99.4 0.141 0.142 0.001 7 0 no 0.034 0 0
1 99 PHE QB 46 no 100.0 100.0 1.361 1.361 0.000 7 2 no 0.000 0 0
1 100 ILE QG 188 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 101 ASN QB 54 no 35.0 99.7 0.015 0.015 0.000 6 0 no 0.018 0 0
1 101 ASN QD 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.027 0 0
1 102 VAL QG 162 no 60.0 100.0 1.321 1.322 0.000 2 0 no 0.044 0 0
1 103 VAL QG 15 no 100.0 100.0 4.793 4.793 0.000 10 2 no 0.011 0 0
1 104 ASP QB 78 no 100.0 99.9 1.281 1.283 0.001 5 0 no 0.061 0 0
1 105 ASN QB 148 no 95.0 100.0 0.001 0.001 0.000 3 1 no 0.037 0 0
1 105 ASN QD 53 no 65.0 51.0 0.042 0.082 0.040 6 0 no 0.344 0 0
1 106 ASP QB 105 no 60.0 99.6 1.009 1.013 0.004 4 0 no 0.095 0 0
1 107 PHE QB 104 no 100.0 100.0 0.155 0.155 0.000 4 0 no 0.000 0 0
1 108 LEU QB 89 no 100.0 100.0 0.393 0.393 0.000 5 1 no 0.000 0 0
1 108 LEU QD 14 no 95.0 100.0 0.136 0.136 0.000 10 2 no 0.009 0 0
1 109 ASN QB 32 no 100.0 99.9 1.332 1.333 0.001 8 3 no 0.048 0 0
1 109 ASN QD 33 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.053 0 0
1 110 PHE QB 52 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.027 0 0
1 111 SER QB 135 no 75.0 100.0 0.298 0.298 0.000 3 0 no 0.016 0 0
1 112 GLY QA 45 no 100.0 100.0 2.125 2.125 0.000 7 2 no 0.025 0 0
1 113 GLU QB 118 no 100.0 99.9 2.062 2.064 0.002 4 1 no 0.059 0 0
1 113 GLU QG 41 no 100.0 100.0 3.024 3.024 0.000 7 1 no 0.025 0 0
1 115 LEU QB 147 no 100.0 99.9 0.915 0.916 0.001 3 1 no 0.049 0 0
1 115 LEU QD 175 no 35.0 93.8 0.001 0.001 0.000 2 1 no 0.016 0 0
1 116 GLN QB 134 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.017 0 0
1 116 GLN QG 133 no 95.0 99.8 0.355 0.356 0.001 3 0 no 0.059 0 0
1 118 TRP QB 103 no 100.0 100.0 0.036 0.036 0.000 4 0 no 0.000 0 0
1 119 GLY QA 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 120 TYR QB 37 no 100.0 100.0 0.373 0.373 0.000 7 0 no 0.015 0 0
1 121 CYS QB 36 no 100.0 100.0 3.637 3.638 0.001 7 0 no 0.060 0 0
1 122 VAL QG 77 no 100.0 100.0 0.525 0.525 0.000 5 0 no 0.009 0 0
1 123 PHE QB 76 no 100.0 99.8 0.073 0.073 0.000 5 0 no 0.036 0 0
1 125 GLU QB 13 no 100.0 99.5 0.967 0.971 0.004 10 2 no 0.066 0 0
1 125 GLU QG 9 no 100.0 100.0 4.539 4.541 0.002 11 2 no 0.078 0 0
1 126 VAL QG 18 no 100.0 100.0 3.166 3.167 0.001 10 3 no 0.041 0 0
1 127 VAL QG 7 no 100.0 100.0 20.864 20.864 0.000 12 3 no 0.017 0 0
1 128 ASP QB 29 no 100.0 100.0 2.409 2.409 0.000 8 2 no 0.012 0 0
1 129 GLY QA 31 no 100.0 100.0 2.595 2.595 0.000 8 3 no 0.018 0 0
1 130 MET QB 68 no 100.0 100.0 2.362 2.362 0.001 6 2 no 0.030 0 0
1 130 MET QG 67 no 100.0 99.9 1.321 1.322 0.001 6 2 no 0.048 0 0
1 131 ASP QB 66 no 100.0 100.0 5.558 5.558 0.000 6 2 no 0.030 0 0
1 132 VAL QG 44 no 100.0 100.0 4.476 4.476 0.000 7 2 no 0.000 0 0
1 133 VAL QG 12 no 100.0 100.0 6.855 6.855 0.000 10 2 no 0.031 0 0
1 134 ASP QB 174 no 100.0 100.0 0.902 0.902 0.000 2 1 no 0.046 0 0
1 135 LYS QB 51 no 100.0 100.0 2.337 2.338 0.001 6 0 no 0.036 0 0
1 135 LYS QD 187 no 15.0 99.9 0.051 0.051 0.000 1 0 no 0.028 0 0
1 135 LYS QG 160 no 85.0 100.0 0.028 0.028 0.000 2 0 no 0.000 0 0
1 137 LYS QB 88 no 100.0 100.0 0.914 0.914 0.000 5 1 no 0.011 0 0
1 137 LYS QD 186 no 90.0 100.0 1.364 1.364 0.000 1 0 no 0.002 0 0
1 137 LYS QE 100 no 90.0 100.0 1.660 1.660 0.000 5 3 no 0.046 0 0
1 137 LYS QG 65 no 100.0 100.0 1.994 1.994 0.000 6 2 no 0.032 0 0
1 138 GLY QA 194 no 95.0 100.0 0.000 0.000 0.000 1 1 no 0.032 0 0
1 139 VAL QG 50 no 100.0 100.0 0.483 0.483 0.000 6 0 no 0.031 0 0
1 142 GLY QA 98 no 100.0 99.9 1.951 1.953 0.002 5 2 no 0.072 0 0
1 143 ARG QB 146 no 95.0 99.9 0.674 0.675 0.001 3 1 no 0.056 0 0
1 143 ARG QG 64 no 100.0 99.8 1.178 1.180 0.002 6 2 no 0.072 0 0
1 144 SER QB 87 no 100.0 100.0 3.040 3.040 0.000 5 1 no 0.028 0 0
1 145 GLY QA 185 no 30.0 100.0 0.002 0.002 0.000 1 0 no 0.000 0 0
1 147 HIS QB 63 no 95.0 100.0 0.333 0.333 0.000 6 2 no 0.000 0 0
1 148 GLN QB 159 no 100.0 100.0 0.268 0.268 0.000 2 0 no 0.006 0 0
1 148 GLN QE 181 no 100.0 0.0 0.000 0.001 0.001 2 2 no 0.039 0 0
1 148 GLN QG 17 no 100.0 100.0 3.693 3.694 0.001 10 3 no 0.050 0 0
1 150 VAL QG 72 no 75.0 100.0 0.117 0.117 0.000 6 3 no 0.000 0 0
1 151 PRO QD 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 PRO QG 132 no 100.0 100.0 1.029 1.029 0.000 3 0 no 0.026 0 0
1 152 LYS QB 117 no 50.0 84.4 0.006 0.007 0.001 4 1 no 0.038 0 0
1 152 LYS QD 131 no 100.0 100.0 1.524 1.524 0.000 3 0 no 0.014 0 0
1 152 LYS QE 124 no 100.0 100.0 0.519 0.519 0.000 4 2 no 0.010 0 0
1 152 LYS QG 20 no 100.0 100.0 2.658 2.659 0.001 9 1 no 0.061 0 0
1 153 GLU QB 157 no 100.0 100.0 0.444 0.444 0.000 2 0 no 0.000 0 0
1 153 GLU QG 130 no 100.0 99.8 0.595 0.597 0.001 3 0 no 0.063 0 0
1 154 ASP QB 129 no 90.0 99.8 0.327 0.327 0.000 3 0 no 0.075 0 0
1 155 VAL QG 6 no 100.0 100.0 6.071 6.072 0.002 12 2 no 0.056 0 0
1 157 ILE QG 184 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.045 0 0
1 158 GLU QB 62 no 100.0 100.0 4.464 4.464 0.000 6 2 no 0.003 0 0
1 158 GLU QG 183 no 100.0 100.0 0.077 0.077 0.000 1 0 no 0.000 0 0
1 159 SER QB 97 no 35.0 99.9 0.155 0.155 0.000 5 2 no 0.025 0 0
1 160 VAL QG 1 no 100.0 100.0 8.939 8.939 0.000 15 1 no 0.020 0 0
1 162 VAL QG 116 no 100.0 100.0 1.987 1.987 0.000 4 1 no 0.000 0 0
1 163 SER QB 75 no 100.0 100.0 3.356 3.356 0.000 5 0 no 0.016 0 0
1 164 GLU QB 182 no 100.0 100.0 0.497 0.497 0.000 1 0 no 0.000 0 0
1 164 GLU QG 128 no 30.0 99.9 0.617 0.617 0.000 3 0 no 0.027 0 0
stop_
save_
Contact the webmaster for help, if required. Sunday, May 12, 2024 12:50:55 AM GMT (wattos1)