NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425477 |
2gjf   |
7102 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2gjf
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 186
_Stereo_assign_list.Swap_count 46
_Stereo_assign_list.Swap_percentage 24.7
_Stereo_assign_list.Deassign_count 27
_Stereo_assign_list.Deassign_percentage 14.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 125.445
_Stereo_assign_list.Total_e_high_states 626.381
_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 8 SER QB 180 no 75.0 75.2 0.048 0.064 0.016 2 0 no 0.324 0 0
1 9 LYS QB 108 no 45.0 23.3 0.039 0.169 0.130 10 4 no 0.235 0 0
1 9 LYS QD 140 no 60.0 4.0 0.074 1.849 1.775 7 4 yes 1.143 2 2
1 9 LYS QG 150 no 10.0 51.0 0.002 0.004 0.002 6 0 no 0.136 0 0
1 11 ILE QG 118 no 100.0 98.4 0.007 0.007 0.000 8 1 no 0.246 0 0
1 12 PHE QB 46 no 100.0 100.0 1.661 1.661 0.001 19 2 no 0.078 0 0
1 13 VAL QG 96 no 35.0 24.8 0.104 0.420 0.315 11 1 no 0.946 0 12
1 14 ILE QG 26 no 95.0 100.0 0.064 0.064 0.000 25 10 no 0.518 0 1
1 15 VAL QG 32 yes 95.0 93.1 32.671 35.076 2.404 23 10 yes 2.124 10 11
1 16 PRO QD 20 no 100.0 90.0 7.291 8.103 0.812 27 11 no 0.312 0 0
1 16 PRO QG 84 yes 100.0 33.4 2.599 7.793 5.194 13 4 no 0.087 0 0
1 18 ASN QB 160 no 75.0 53.3 0.039 0.073 0.034 5 1 no 0.347 0 0
1 18 ASN QD 152 no 70.0 73.6 0.122 0.166 0.044 6 1 no 0.695 0 6
1 19 GLU QG 149 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.076 0 0
1 21 GLN QE 22 no 40.0 35.8 0.062 0.172 0.111 26 10 no 0.421 0 0
1 21 GLN QG 98 no 35.0 27.7 0.039 0.141 0.102 11 2 no 0.535 0 1
1 22 VAL QG 6 yes 100.0 99.8 37.607 37.698 0.091 34 12 no 0.268 0 0
1 24 PHE QB 58 no 100.0 87.5 2.267 2.590 0.323 16 2 no 0.087 0 0
1 25 LEU QD 10 no 65.0 66.1 9.511 14.395 4.884 33 10 yes 2.373 82 130
1 26 GLU QB 82 yes 100.0 99.9 2.015 2.017 0.003 13 3 no 0.107 0 0
1 26 GLU QG 78 no 100.0 67.6 0.338 0.500 0.162 14 3 no 0.083 0 0
1 28 LEU QB 60 yes 100.0 94.3 1.758 1.865 0.107 16 6 no 0.413 0 0
1 28 LEU QD 8 yes 100.0 99.7 8.802 8.826 0.024 33 8 no 0.169 0 0
1 30 LYS QB 134 yes 100.0 100.0 0.537 0.537 0.000 7 0 no 0.000 0 0
1 30 LYS QG 80 no 45.0 28.7 0.064 0.224 0.160 13 0 no 0.650 0 8
1 31 GLN QB 24 no 100.0 100.0 4.572 4.573 0.001 26 12 no 0.103 0 0
1 31 GLN QE 56 no 100.0 100.0 2.143 2.143 0.000 17 10 no 0.002 0 0
1 31 GLN QG 42 no 100.0 98.9 2.328 2.353 0.025 21 8 no 0.169 0 0
1 33 GLU QB 110 no 100.0 100.0 0.173 0.173 0.000 9 3 no 0.000 0 0
1 33 GLU QG 90 no 100.0 100.0 1.645 1.645 0.000 12 5 no 0.000 0 0
1 34 LEU QB 30 no 100.0 100.0 1.434 1.434 0.000 23 7 no 0.000 0 0
1 34 LEU QD 2 no 100.0 99.9 31.995 32.019 0.024 54 23 no 0.059 0 0
1 35 ASN QB 128 no 75.0 91.1 0.013 0.015 0.001 8 4 no 0.071 0 0
1 35 ASN QD 156 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.071 0 0
1 36 PHE QB 94 no 100.0 100.0 0.052 0.052 0.000 11 0 no 0.000 0 0
1 37 ASP QB 72 yes 100.0 98.4 0.564 0.573 0.009 15 8 no 0.155 0 0
1 38 TRP QB 116 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 39 GLN QB 168 no 100.0 100.0 0.002 0.002 0.000 4 1 no 0.128 0 0
1 39 GLN QE 142 no 100.0 72.6 0.393 0.541 0.148 7 5 no 0.043 0 0
1 39 GLN QG 130 no 100.0 67.8 1.893 2.791 0.898 8 6 no 0.043 0 0
1 40 ASN QB 100 no 100.0 92.0 0.046 0.050 0.004 11 7 no 0.113 0 0
1 40 ASN QD 74 no 100.0 99.9 0.466 0.467 0.000 15 9 no 0.026 0 0
1 41 PRO QD 127 no 75.0 98.4 0.003 0.003 0.000 8 4 no 0.024 0 0
1 41 PRO QG 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 PRO QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 PRO QD 88 no 100.0 39.7 0.044 0.110 0.066 12 4 no 0.000 0 0
1 42 PRO QG 115 no 100.0 98.4 0.076 0.077 0.001 8 0 no 0.155 0 0
1 45 PRO QB 170 no 100.0 100.0 0.007 0.007 0.000 4 2 no 0.268 0 0
1 45 PRO QD 122 no 70.0 92.9 0.011 0.012 0.001 8 2 no 0.124 0 0
1 45 PRO QG 186 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 46 GLY QA 154 no 100.0 68.7 0.504 0.734 0.230 6 2 no 0.064 0 0
1 47 GLN QB 185 yes 100.0 100.0 0.133 0.133 0.000 1 0 no 0.000 0 0
1 47 GLN QG 166 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.062 0 0
1 48 PRO QB 177 no 100.0 99.0 0.094 0.095 0.001 2 0 no 0.418 0 0
1 48 PRO QD 126 yes 100.0 93.6 0.998 1.066 0.068 8 4 no 0.167 0 0
1 48 PRO QG 184 no 30.0 1.5 0.000 0.002 0.002 1 0 no 0.090 0 0
1 49 VAL QG 12 no 90.0 86.3 11.499 13.318 1.820 31 11 yes 2.523 12 15
1 50 VAL QG 48 yes 90.0 95.1 5.481 5.766 0.285 18 4 yes 1.185 4 4
1 51 ILE QG 36 yes 100.0 97.2 1.376 1.415 0.040 21 1 no 0.036 0 0
1 52 LEU QB 62 no 100.0 97.7 0.317 0.325 0.007 16 8 no 0.000 0 0
1 52 LEU QD 14 no 85.0 80.5 14.204 17.645 3.441 30 18 yes 2.796 20 29
1 53 ILE QG 133 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 54 PRO QB 158 no 100.0 100.0 3.336 3.336 0.000 5 0 no 0.044 0 0
1 54 PRO QD 54 yes 100.0 100.0 1.798 1.798 0.000 17 2 no 0.000 0 0
1 54 PRO QG 139 yes 100.0 83.0 2.553 3.076 0.523 7 4 no 0.000 0 0
1 55 SER QB 165 no 50.0 22.0 0.056 0.252 0.197 4 0 no 0.856 0 7
1 56 ASP QB 136 no 65.0 61.0 1.124 1.841 0.717 7 2 yes 1.234 5 13
1 57 MET QB 93 yes 100.0 100.0 0.366 0.366 0.000 11 0 no 0.000 0 0
1 57 MET QG 68 no 100.0 99.9 1.270 1.271 0.001 15 4 no 0.043 0 0
1 58 VAL QG 18 no 35.0 9.6 0.756 7.849 7.093 28 4 yes 2.182 44 98
1 59 GLU QG 87 no 0.0 0.0 0.000 2.424 2.424 12 4 no 0.518 0 1
1 60 TRP QB 106 no 100.0 99.7 1.669 1.673 0.005 10 0 no 0.086 0 0
1 61 PHE QB 34 no 100.0 97.6 0.345 0.354 0.009 21 0 no 0.136 0 0
1 62 LEU QB 38 no 100.0 7.6 0.094 1.240 1.146 21 6 no 0.357 0 0
1 62 LEU QD 16 no 60.0 40.9 4.555 11.135 6.580 29 11 yes 2.343 54 101
1 63 GLU QG 121 no 75.0 4.0 0.040 0.980 0.941 8 2 no 0.156 0 0
1 64 MET QG 64 no 55.0 16.0 0.120 0.754 0.634 15 2 yes 1.080 1 14
1 65 LEU QB 105 yes 100.0 99.9 0.551 0.551 0.000 10 0 no 0.087 0 0
1 65 LEU QD 4 yes 95.0 95.1 40.111 42.160 2.049 48 18 yes 1.162 3 25
1 66 LYS QG 76 yes 100.0 100.0 2.449 2.450 0.000 14 0 no 0.055 0 0
1 68 LYS QB 52 yes 100.0 97.0 2.240 2.309 0.068 18 8 no 0.502 0 1
1 68 LYS QE 71 no 25.0 22.4 0.030 0.136 0.105 15 8 no 0.502 0 1
1 68 LYS QG 50 no 100.0 99.5 3.674 3.694 0.020 18 6 no 0.273 0 0
1 69 GLY QA 148 yes 100.0 100.0 0.378 0.378 0.000 6 0 no 0.000 0 0
1 70 ILE QG 44 no 95.0 69.3 0.164 0.237 0.073 20 10 no 0.168 0 0
1 71 PRO QB 172 no 100.0 100.0 1.395 1.395 0.000 3 0 no 0.000 0 0
1 71 PRO QD 67 yes 100.0 98.9 0.822 0.832 0.009 15 4 no 0.123 0 0
1 71 PRO QG 164 yes 100.0 100.0 0.517 0.517 0.000 4 0 no 0.013 0 0
1 72 PHE QB 41 no 100.0 97.8 0.033 0.034 0.001 21 8 no 0.466 0 0
1 74 VAL QG 28 no 60.0 39.7 3.848 9.682 5.834 23 2 yes 2.257 60 116
1 75 TYR QB 104 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 76 VAL QG 114 no 45.0 47.2 1.041 2.208 1.167 8 0 yes 2.176 18 18
1 77 GLU QG 147 no 85.0 76.0 0.012 0.015 0.004 6 0 no 0.478 0 0
2 8 SER QB 176 no 65.0 21.3 0.011 0.053 0.042 2 0 no 0.456 0 0
2 9 LYS QB 107 no 30.0 4.5 0.013 0.288 0.275 10 4 no 0.233 0 0
2 9 LYS QD 138 no 45.0 6.7 0.152 2.268 2.116 7 4 yes 1.182 1 1
2 9 LYS QG 146 no 15.0 50.9 0.001 0.002 0.001 6 0 no 0.102 0 0
2 11 ILE QG 117 no 100.0 99.8 0.009 0.009 0.000 8 1 no 0.215 0 0
2 12 PHE QB 45 no 100.0 99.8 1.503 1.506 0.003 19 2 no 0.145 0 0
2 13 VAL QG 95 yes 80.0 79.8 0.659 0.826 0.167 11 1 no 0.909 0 4
2 14 ILE QG 25 no 95.0 98.5 0.017 0.017 0.000 25 10 no 0.380 0 0
2 15 VAL QG 31 yes 75.0 70.5 20.344 28.845 8.501 23 10 yes 2.348 46 55
2 16 PRO QD 19 no 100.0 90.4 7.363 8.149 0.785 27 11 no 0.322 0 0
2 16 PRO QG 83 yes 100.0 38.9 2.126 5.460 3.334 13 4 no 0.087 0 0
2 18 ASN QB 159 no 100.0 61.0 0.004 0.006 0.002 5 1 no 0.112 0 0
2 18 ASN QD 151 yes 80.0 87.2 0.246 0.282 0.036 6 1 no 0.609 0 1
2 19 GLU QG 145 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 21 GLN QE 21 no 70.0 71.3 0.145 0.203 0.058 26 10 no 0.434 0 0
2 21 GLN QG 97 no 65.0 75.5 0.195 0.258 0.063 11 2 no 0.526 0 1
2 22 VAL QG 5 yes 100.0 99.7 37.835 37.931 0.096 34 12 no 0.286 0 0
2 24 PHE QB 57 no 100.0 93.0 2.849 3.065 0.216 16 2 no 0.093 0 0
2 25 LEU QD 9 no 40.0 15.9 1.484 9.340 7.855 33 10 yes 2.430 48 80
2 26 GLU QB 81 yes 100.0 99.9 2.015 2.017 0.002 13 3 no 0.064 0 0
2 26 GLU QG 77 no 100.0 69.2 0.360 0.520 0.160 14 3 no 0.087 0 0
2 28 LEU QB 59 yes 100.0 99.3 1.343 1.353 0.010 16 6 no 0.100 0 0
2 28 LEU QD 7 yes 100.0 99.8 8.583 8.598 0.015 33 8 no 0.139 0 0
2 30 LYS QB 132 yes 100.0 100.0 0.561 0.561 0.000 7 0 no 0.005 0 0
2 30 LYS QG 79 no 55.0 34.8 0.080 0.230 0.150 13 0 no 0.641 0 7
2 31 GLN QB 23 no 100.0 100.0 4.578 4.579 0.001 26 12 no 0.113 0 0
2 31 GLN QE 55 no 100.0 100.0 2.162 2.162 0.000 17 10 no 0.013 0 0
2 31 GLN QG 40 no 100.0 99.3 2.309 2.325 0.016 21 8 no 0.139 0 0
2 33 GLU QB 109 no 100.0 100.0 0.171 0.171 0.000 9 3 no 0.007 0 0
2 33 GLU QG 89 no 100.0 100.0 1.577 1.577 0.000 12 5 no 0.000 0 0
2 34 LEU QB 29 no 100.0 100.0 1.489 1.489 0.000 23 7 no 0.000 0 0
2 34 LEU QD 1 no 100.0 99.9 32.247 32.285 0.038 54 23 no 0.054 0 0
2 35 ASN QB 125 no 70.0 93.3 0.011 0.012 0.001 8 4 no 0.072 0 0
2 35 ASN QD 155 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.072 0 0
2 36 PHE QB 92 no 100.0 100.0 0.050 0.050 0.000 11 0 no 0.000 0 0
2 37 ASP QB 70 yes 100.0 96.9 0.499 0.515 0.016 15 8 no 0.156 0 0
2 38 TRP QB 113 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 39 GLN QB 167 no 100.0 100.0 0.001 0.001 0.000 4 1 no 0.113 0 0
2 39 GLN QE 141 no 100.0 52.2 0.350 0.670 0.320 7 5 no 0.221 0 0
2 39 GLN QG 129 no 100.0 53.4 1.778 3.330 1.552 8 6 no 0.059 0 0
2 40 ASN QB 99 no 95.0 95.9 0.082 0.086 0.004 11 7 no 0.126 0 0
2 40 ASN QD 73 no 100.0 83.6 0.533 0.638 0.105 15 9 no 0.514 0 1
2 41 PRO QD 124 no 65.0 100.0 0.002 0.002 0.000 8 4 no 0.000 0 0
2 41 PRO QG 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 42 PRO QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 42 PRO QD 86 no 100.0 42.4 0.036 0.086 0.050 12 4 no 0.000 0 0
2 42 PRO QG 112 no 75.0 99.9 0.049 0.049 0.000 8 0 no 0.033 0 0
2 45 PRO QB 169 no 100.0 99.6 0.012 0.012 0.000 4 2 no 0.286 0 0
2 45 PRO QD 120 no 45.0 97.0 0.015 0.016 0.000 8 2 no 0.058 0 0
2 45 PRO QG 183 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 46 GLY QA 153 no 100.0 31.3 0.846 2.705 1.860 6 2 no 0.219 0 0
2 47 GLN QB 182 yes 95.0 88.0 0.163 0.185 0.022 1 0 no 0.668 0 1
2 47 GLN QG 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.049 0 0
2 48 PRO QB 173 no 100.0 99.5 0.066 0.066 0.000 2 0 no 0.381 0 0
2 48 PRO QD 123 yes 100.0 78.2 0.919 1.175 0.256 8 4 no 0.165 0 0
2 48 PRO QG 181 no 25.0 13.3 0.000 0.003 0.003 1 0 no 0.111 0 0
2 49 VAL QG 11 no 90.0 84.5 10.901 12.900 1.998 31 11 yes 2.535 13 18
2 50 VAL QG 47 yes 90.0 92.2 6.281 6.816 0.535 18 4 yes 2.155 2 6
2 51 ILE QG 35 yes 100.0 90.1 1.106 1.228 0.122 21 1 no 0.055 0 0
2 52 LEU QB 61 no 100.0 95.8 0.275 0.287 0.012 16 8 no 0.000 0 0
2 52 LEU QD 13 no 75.0 68.6 11.717 17.078 5.361 30 18 yes 2.899 32 54
2 53 ILE QG 131 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
2 54 PRO QB 157 no 100.0 100.0 3.263 3.264 0.000 5 0 no 0.041 0 0
2 54 PRO QD 53 yes 100.0 100.0 1.717 1.717 0.000 17 2 no 0.000 0 0
2 54 PRO QG 137 yes 100.0 90.1 2.400 2.663 0.263 7 4 no 0.000 0 0
2 55 SER QB 162 no 55.0 6.9 0.016 0.225 0.210 4 0 no 0.850 0 6
2 56 ASP QB 135 no 85.0 87.5 2.565 2.931 0.367 7 2 yes 1.231 3 6
2 57 MET QB 91 yes 100.0 100.0 0.361 0.361 0.000 11 0 no 0.000 0 0
2 57 MET QG 66 no 100.0 99.9 1.267 1.267 0.001 15 4 no 0.064 0 0
2 58 VAL QG 17 no 40.0 30.7 2.729 8.892 6.164 28 4 yes 2.192 52 108
2 59 GLU QG 85 no 100.0 0.0 0.000 3.548 3.548 12 4 no 0.581 0 3
2 60 TRP QB 103 no 100.0 99.8 1.667 1.671 0.004 10 0 no 0.090 0 0
2 61 PHE QB 33 no 100.0 96.7 0.292 0.302 0.010 21 0 no 0.145 0 0
2 62 LEU QB 37 no 100.0 6.1 0.088 1.441 1.353 21 6 no 0.300 0 0
2 62 LEU QD 15 no 55.0 11.3 1.154 10.253 9.098 29 11 yes 2.647 66 113
2 63 GLU QG 119 no 85.0 2.1 0.039 1.850 1.811 8 2 no 0.872 0 2
2 64 MET QG 63 no 60.0 31.1 0.309 0.992 0.683 15 2 yes 1.323 8 16
2 65 LEU QB 102 yes 100.0 99.9 0.565 0.566 0.001 10 0 no 0.074 0 0
2 65 LEU QD 3 yes 80.0 90.4 33.285 36.828 3.543 48 18 yes 2.071 14 47
2 66 LYS QG 75 yes 100.0 100.0 2.554 2.556 0.001 14 0 no 0.090 0 0
2 68 LYS QB 51 yes 100.0 97.1 2.461 2.535 0.074 18 8 no 0.585 0 1
2 68 LYS QE 69 no 80.0 21.5 0.039 0.182 0.143 15 8 yes 1.138 1 2
2 68 LYS QG 49 no 100.0 98.9 3.845 3.886 0.041 18 6 no 0.385 0 0
2 69 GLY QA 144 yes 100.0 100.0 0.380 0.380 0.000 6 0 no 0.000 0 0
2 70 ILE QG 43 no 95.0 34.3 0.180 0.526 0.345 20 10 no 0.173 0 0
2 71 PRO QB 171 no 100.0 100.0 1.519 1.519 0.000 3 0 no 0.000 0 0
2 71 PRO QD 65 yes 100.0 99.3 0.788 0.794 0.006 15 4 no 0.106 0 0
2 71 PRO QG 161 yes 100.0 100.0 0.489 0.489 0.000 4 0 no 0.000 0 0
2 72 PHE QB 39 no 100.0 94.7 0.038 0.040 0.002 21 8 no 0.459 0 0
2 74 VAL QG 27 no 50.0 17.7 1.530 8.671 7.140 23 2 yes 2.334 54 100
2 75 TYR QB 101 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
2 76 VAL QG 111 no 55.0 60.7 1.707 2.813 1.105 8 0 yes 2.462 21 22
2 77 GLU QG 143 no 90.0 81.1 0.027 0.033 0.006 6 0 no 0.500 0 1
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