Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
528353 | 2l90 RC | 17432 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2l90
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 190
_Stereo_assign_list.Swap_count 13
_Stereo_assign_list.Swap_percentage 6.8
_Stereo_assign_list.Deassign_count 33
_Stereo_assign_list.Deassign_percentage 17.4
_Stereo_assign_list.Model_count 21
_Stereo_assign_list.Total_e_low_states 22.044
_Stereo_assign_list.Total_e_high_states 107.009
_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 6 LYS QB 169 no 85.7 57.3 0.018 0.032 0.014 2 0 no 0.442 0 0
1 8 ILE QG 53 no 38.1 38.6 0.041 0.107 0.066 6 0 no 0.835 0 1
1 9 SER QB 52 no 66.7 37.4 0.015 0.041 0.026 6 0 no 0.466 0 0
1 11 GLU QG 135 no 66.7 93.0 0.118 0.127 0.009 3 0 no 0.431 0 0
1 12 GLU QB 51 no 66.7 100.0 0.208 0.208 0.000 6 0 no 0.018 0 0
1 14 LEU QD 65 no 100.0 99.9 5.970 5.976 0.006 5 0 no 0.189 0 0
1 15 PRO QB 168 yes 100.0 99.9 0.325 0.325 0.000 2 0 no 0.076 0 0
1 15 PRO QD 190 no 4.8 67.5 0.005 0.007 0.002 1 0 no 0.195 0 0
1 16 GLY QA 100 yes 90.5 75.9 0.446 0.587 0.141 4 0 yes 1.716 1 1
1 19 GLU QG 167 no 9.5 98.3 0.002 0.002 0.000 2 0 no 0.025 0 0
1 20 PRO QB 189 no 71.4 99.8 0.003 0.003 0.000 1 0 no 0.202 0 0
1 21 ILE QG 188 no 85.7 100.0 0.057 0.057 0.000 1 0 no 0.007 0 0
1 22 PRO QB 166 no 76.2 9.3 0.001 0.006 0.005 2 0 no 0.199 0 0
1 23 VAL QG 35 no 85.7 99.1 7.169 7.236 0.067 7 0 no 0.727 0 2
1 26 LYS QB 134 no 57.1 31.0 0.429 1.384 0.955 3 0 yes 1.597 12 12
1 27 HIS QB 16 no 100.0 98.6 0.227 0.230 0.003 9 1 no 0.220 0 0
1 28 HIS QB 99 no 23.8 74.9 0.004 0.005 0.001 4 0 no 0.160 0 0
1 29 VAL QG 12 no 100.0 100.0 5.844 5.844 0.000 10 0 no 0.064 0 0
1 30 SER QB 11 no 66.7 87.7 0.111 0.126 0.016 11 7 no 0.612 0 10
1 31 GLY QA 43 yes 100.0 91.7 1.954 2.131 0.177 7 3 no 0.612 0 10
1 32 ASN QB 20 no 76.2 39.6 0.023 0.059 0.036 9 5 no 0.487 0 0
1 32 ASN QD 1 no 42.9 1.1 0.000 0.031 0.030 20 8 no 0.627 0 1
1 33 ARG QB 50 no 57.1 42.0 0.085 0.203 0.118 6 0 no 0.768 0 1
1 35 VAL QG 187 no 33.3 100.0 0.137 0.137 0.000 1 0 no 0.003 0 0
1 36 GLU QB 186 no 9.5 41.5 0.000 0.000 0.000 1 0 no 0.017 0 0
1 37 PRO QB 165 no 19.0 40.6 0.017 0.042 0.025 2 0 no 0.394 0 0
1 38 PHE QB 164 no 47.6 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 PRO QB 185 no 90.5 48.0 0.025 0.051 0.027 1 0 no 0.768 0 2
1 41 GLY QA 163 no 47.6 99.8 0.035 0.035 0.000 2 0 no 0.038 0 0
1 43 GLN QB 30 no 57.1 47.7 0.049 0.102 0.053 8 5 no 0.585 0 2
1 43 GLN QE 57 no 95.2 95.4 0.043 0.045 0.002 6 4 no 0.515 0 1
1 44 MET QB 112 no 85.7 74.3 0.037 0.049 0.013 4 1 no 0.412 0 0
1 46 VAL QG 49 no 71.4 97.5 0.562 0.576 0.014 6 0 no 0.380 0 0
1 47 PHE QB 98 no 85.7 93.6 0.004 0.004 0.000 4 0 no 0.193 0 0
1 48 GLY QA 34 yes 100.0 99.0 0.259 0.262 0.003 7 0 no 0.107 0 0
1 49 MET QG 184 no 61.9 8.7 0.006 0.072 0.065 1 0 no 0.643 0 3
1 50 GLY QA 162 no 85.7 73.0 0.000 0.000 0.000 2 0 no 0.018 0 0
1 51 CYS QB 161 no 47.6 12.4 0.001 0.012 0.010 2 0 no 0.173 0 0
1 52 PHE QB 111 no 100.0 10.2 0.001 0.006 0.005 4 1 no 0.238 0 0
1 53 TRP QB 110 no 95.2 90.1 0.015 0.016 0.002 4 1 no 0.238 0 0
1 54 GLY QA 48 no 81.0 100.0 0.111 0.111 0.000 6 0 no 0.009 0 0
1 57 ARG QB 116 no 23.8 76.1 0.000 0.001 0.000 4 2 no 0.048 0 0
1 58 LYS QB 109 no 95.2 99.1 0.022 0.022 0.000 4 1 no 0.203 0 0
1 58 LYS QG 115 no 76.2 95.1 0.028 0.030 0.001 4 2 no 0.497 0 0
1 60 TRP QB 133 no 9.5 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 61 VAL QG 23 no 100.0 99.7 2.418 2.426 0.008 8 2 no 0.381 0 0
1 62 LEU QB 97 no 19.0 25.7 0.001 0.003 0.002 4 0 no 0.134 0 0
1 62 LEU QD 64 no 76.2 85.9 0.941 1.095 0.154 5 0 yes 1.201 2 2
1 63 LYS QG 160 no 47.6 92.1 0.022 0.024 0.002 2 0 no 0.190 0 0
1 64 GLY QA 96 no 4.8 95.2 0.001 0.001 0.000 4 0 no 0.030 0 0
1 65 VAL QG 8 yes 100.0 96.8 1.478 1.526 0.048 12 1 no 0.838 0 1
1 66 TYR QB 95 no 90.5 63.7 0.007 0.012 0.004 4 0 no 0.158 0 0
1 67 SER QB 94 no 14.3 38.3 0.003 0.007 0.005 4 0 no 0.207 0 0
1 69 GLN QB 137 no 57.1 32.7 0.254 0.775 0.521 3 1 no 0.352 0 0
1 69 GLN QE 19 no 90.5 62.6 2.192 3.500 1.308 9 4 yes 1.743 8 12
1 69 GLN QG 114 no 61.9 33.0 0.013 0.041 0.027 4 2 no 0.135 0 0
1 70 VAL QG 18 no 100.0 99.8 17.112 17.148 0.036 9 3 no 0.623 0 1
1 71 GLY QA 39 no 100.0 99.7 0.494 0.495 0.002 7 1 no 0.179 0 0
1 72 PHE QB 93 no 81.0 66.9 0.000 0.000 0.000 4 0 no 0.041 0 0
1 74 GLY QA 108 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 75 GLY QA 67 no 95.2 100.0 0.030 0.030 0.000 5 1 no 0.636 0 1
1 76 HIS QB 159 no 61.9 86.8 0.069 0.080 0.011 2 0 no 0.587 0 3
1 78 ARG QB 71 yes 100.0 99.9 0.912 0.913 0.001 5 3 no 0.093 0 0
1 79 ASN QB 74 yes 95.2 98.6 0.444 0.451 0.006 5 4 no 0.327 0 0
1 79 ASN QD 13 no 61.9 11.1 0.112 1.011 0.899 10 7 no 0.329 0 0
1 80 PRO QB 183 no 33.3 99.3 0.019 0.019 0.000 1 0 no 0.035 0 0
1 82 TYR QB 92 no 90.5 57.3 0.000 0.000 0.000 4 0 no 0.057 0 0
1 83 LYS QB 158 no 81.0 14.0 0.000 0.002 0.002 2 0 no 0.158 0 0
1 83 LYS QG 182 no 85.7 99.4 0.000 0.000 0.000 1 0 no 0.047 0 0
1 84 GLU QB 107 no 76.2 62.0 0.042 0.068 0.026 4 1 no 0.354 0 0
1 84 GLU QG 173 no 71.4 72.4 0.171 0.237 0.065 2 1 no 0.354 0 0
1 85 VAL QG 33 no 95.2 87.0 0.905 1.040 0.135 7 0 yes 1.556 1 1
1 87 SER QB 63 no 14.3 8.7 0.002 0.023 0.021 5 0 no 0.664 0 1
1 88 GLU QB 132 no 61.9 53.9 0.087 0.161 0.074 3 0 no 0.839 0 6
1 89 LYS QB 157 no 85.7 74.0 0.070 0.095 0.025 2 0 no 0.524 0 1
1 92 HIS QB 47 no 47.6 51.5 0.241 0.469 0.227 6 0 yes 0.709 0 12
1 94 GLU QB 62 no 33.3 76.3 0.071 0.093 0.022 5 0 no 0.499 0 0
1 94 GLU QG 156 no 47.6 84.6 0.007 0.009 0.001 2 0 no 0.140 0 0
1 96 VAL QG 38 no 90.5 93.2 1.278 1.371 0.093 7 1 no 0.671 0 4
1 97 ARG QB 139 no 47.6 75.3 0.055 0.074 0.018 3 2 no 0.462 0 0
1 97 ARG QG 113 no 66.7 23.8 0.027 0.113 0.086 4 2 no 0.481 0 0
1 98 VAL QG 131 yes 90.5 99.7 0.442 0.443 0.001 3 0 no 0.146 0 0
1 99 VAL QG 15 yes 81.0 74.1 6.343 8.556 2.213 9 1 yes 2.680 12 15
1 100 TYR QB 91 no 61.9 32.9 0.003 0.008 0.006 4 0 no 0.167 0 0
1 100 TYR QD 181 no 95.2 95.6 7.044 7.370 0.326 1 0 yes 2.601 1 1
1 101 ARG QB 155 no 28.6 51.7 0.003 0.006 0.003 2 0 no 0.139 0 0
1 101 ARG QG 154 no 57.1 52.2 0.020 0.039 0.019 2 0 no 0.574 0 1
1 102 PRO QB 153 no 100.0 99.5 0.383 0.385 0.002 2 0 no 0.158 0 0
1 102 PRO QD 130 no 76.2 1.5 0.002 0.120 0.118 3 0 yes 1.276 1 2
1 104 HIS QB 90 no 100.0 99.5 0.002 0.002 0.000 4 0 no 0.147 0 0
1 105 ILE QG 129 no 57.1 67.6 0.512 0.758 0.246 3 0 no 0.788 0 10
1 106 SER QB 61 no 76.2 47.6 0.005 0.011 0.006 5 0 no 0.274 0 0
1 107 PHE QB 89 no 100.0 98.9 0.031 0.031 0.000 4 0 no 0.300 0 0
1 108 GLU QB 128 no 19.0 22.0 0.014 0.064 0.050 3 0 no 0.388 0 0
1 108 GLU QG 152 no 42.9 23.5 0.013 0.054 0.041 2 0 no 0.727 0 1
1 109 GLU QB 180 no 81.0 88.1 0.298 0.338 0.040 1 0 no 0.917 0 1
1 109 GLU QG 179 no 76.2 58.6 0.127 0.217 0.090 1 0 no 0.799 0 3
1 110 LEU QB 88 no 38.1 91.5 0.005 0.006 0.000 4 0 no 0.101 0 0
1 110 LEU QD 151 no 57.1 29.1 0.158 0.543 0.385 2 0 yes 1.988 3 11
1 111 LEU QD 178 no 57.1 20.8 0.092 0.442 0.350 1 0 yes 1.778 4 4
1 112 LYS QB 127 no 95.2 99.9 0.098 0.098 0.000 3 0 no 0.042 0 0
1 112 LYS QG 150 no 42.9 70.7 0.009 0.013 0.004 2 0 no 0.165 0 0
1 113 VAL QG 27 no 61.9 74.6 0.437 0.586 0.149 8 4 yes 0.663 0 16
1 114 PHE QB 87 no 95.2 96.9 0.014 0.015 0.000 4 0 no 0.053 0 0
1 115 TRP QB 86 no 33.3 84.8 0.031 0.036 0.005 4 0 no 0.174 0 0
1 117 ASN QB 56 no 61.9 17.0 0.006 0.035 0.029 6 4 no 0.268 0 0
1 117 ASN QD 5 no 100.0 25.7 0.155 0.604 0.449 15 8 yes 1.092 1 23
1 118 HIS QB 66 no 71.4 40.9 0.372 0.910 0.538 5 1 yes 1.088 1 10
1 119 ASP QB 29 no 47.6 22.1 0.203 0.919 0.715 8 5 yes 1.326 2 10
1 120 PRO QD 177 no 85.7 95.3 0.054 0.057 0.003 1 0 no 0.807 0 2
1 122 GLN QE 3 no 81.0 57.8 0.254 0.440 0.185 18 5 no 0.987 0 8
1 123 GLY QA 126 no 19.0 100.0 0.002 0.002 0.000 3 0 no 0.000 0 0
1 125 ARG QB 106 no 66.7 60.1 0.418 0.696 0.278 4 1 yes 1.097 2 7
1 125 ARG QG 46 no 57.1 45.6 0.540 1.185 0.645 6 0 yes 1.575 5 15
1 126 GLN QB 24 no 57.1 25.4 0.214 0.842 0.628 8 3 no 0.786 0 4
1 126 GLN QE 7 no 42.9 4.3 0.073 1.677 1.604 13 6 yes 1.634 17 24
1 127 GLY QA 17 no 90.5 87.6 0.249 0.284 0.035 9 3 no 0.547 0 2
1 128 ASN QB 69 no 47.6 53.3 0.018 0.034 0.016 5 2 no 0.351 0 0
1 128 ASN QD 68 no 47.6 95.8 0.300 0.313 0.013 5 2 no 0.351 0 0
1 129 ASP QB 54 no 71.4 35.7 0.033 0.093 0.060 6 1 yes 1.034 1 1
1 131 GLY QA 45 no 38.1 100.0 0.003 0.003 0.000 6 0 no 0.000 0 0
1 133 GLN QB 172 no 95.2 98.8 0.001 0.001 0.000 2 1 no 0.135 0 0
1 133 GLN QE 26 no 28.6 56.1 0.110 0.196 0.086 8 4 no 0.325 0 0
1 133 GLN QG 28 no 47.6 9.7 0.012 0.120 0.109 8 5 no 0.452 0 0
1 134 TYR QB 105 no 100.0 99.2 0.956 0.964 0.008 4 1 no 0.234 0 0
1 135 ARG QD 104 no 66.7 58.9 0.027 0.046 0.019 4 1 no 0.387 0 0
1 136 SER QB 125 no 47.6 90.5 0.048 0.053 0.005 3 0 no 0.235 0 0
1 138 VAL QG 32 no 38.1 36.7 0.170 0.464 0.294 7 0 yes 1.090 1 14
1 139 TYR QB 124 no 100.0 100.0 0.458 0.458 0.000 3 0 no 0.003 0 0
1 140 PRO QB 171 no 95.2 90.5 0.000 0.000 0.000 2 1 no 0.061 0 0
1 140 PRO QD 123 no 28.6 99.9 0.009 0.009 0.000 3 0 no 0.015 0 0
1 142 SER QB 149 no 81.0 49.5 0.001 0.002 0.001 2 0 no 0.136 0 0
1 145 GLN QB 37 yes 76.2 80.7 0.610 0.756 0.146 7 1 no 0.583 0 7
1 145 GLN QE 2 no 100.0 84.7 0.411 0.485 0.074 19 4 yes 1.041 1 1
1 145 GLN QG 25 no 81.0 85.3 0.469 0.550 0.081 8 4 no 0.667 0 3
1 152 SER QB 122 no 52.4 17.0 0.027 0.162 0.134 3 0 no 0.691 0 9
1 156 TYR QB 85 no 100.0 100.0 0.002 0.002 0.000 4 0 no 0.126 0 0
1 157 GLN QE 6 no 90.5 42.7 0.320 0.748 0.428 13 2 yes 1.618 3 6
1 158 LYS QB 84 no 66.7 99.4 0.124 0.125 0.001 4 0 no 0.086 0 0
1 160 LEU QB 60 yes 100.0 100.0 0.447 0.447 0.000 5 0 no 0.012 0 0
1 160 LEU QD 21 no 61.9 43.0 0.907 2.110 1.203 8 0 yes 1.718 8 23
1 161 SER QB 83 no 19.0 26.0 0.000 0.000 0.000 4 0 no 0.057 0 0
1 163 HIS QB 170 no 4.8 100.0 0.001 0.001 0.000 2 1 no 0.000 0 0
1 164 ASN QB 31 no 81.0 2.8 0.001 0.052 0.051 8 6 no 0.802 0 1
1 164 ASN QD 73 no 95.2 91.1 0.447 0.490 0.044 5 4 no 0.802 0 1
1 165 PHE QB 103 no 95.2 88.6 0.031 0.036 0.004 4 1 no 0.289 0 0
1 166 GLY QA 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 167 PRO QB 176 no 95.2 100.0 0.003 0.003 0.000 1 0 no 0.230 0 0
1 168 ILE QG 138 no 52.4 54.6 0.525 0.960 0.435 3 2 yes 1.061 1 4
1 171 ASP QB 36 no 28.6 5.1 0.002 0.030 0.029 7 1 no 0.668 0 1
1 172 ILE QG 82 no 76.2 94.9 0.576 0.607 0.031 4 0 no 0.652 0 1
1 173 ARG QB 42 no 71.4 3.4 0.010 0.297 0.287 7 3 yes 1.279 2 4
1 173 ARG QD 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 174 GLU QB 102 no 42.9 24.0 0.037 0.155 0.118 4 1 no 0.664 0 6
1 175 GLY QA 81 no 76.2 44.5 0.003 0.006 0.003 4 0 no 0.250 0 0
1 176 GLN QB 40 no 52.4 58.4 0.232 0.397 0.165 7 2 yes 1.075 1 4
1 176 GLN QE 9 no 66.7 50.2 0.181 0.361 0.179 12 4 yes 1.400 3 10
1 176 GLN QG 72 no 57.1 19.7 0.045 0.227 0.183 5 4 no 0.593 0 8
1 177 VAL QG 80 no 81.0 57.0 0.238 0.418 0.180 4 0 no 0.946 0 8
1 179 TYR QB 79 no 9.5 92.9 0.107 0.115 0.008 4 0 yes 1.539 1 1
1 180 TYR QB 101 no 100.0 100.0 0.540 0.540 0.000 4 1 no 0.040 0 0
1 182 GLU QB 14 no 71.4 87.6 0.420 0.480 0.059 9 0 yes 1.110 1 11
1 182 GLU QG 121 yes 81.0 84.8 0.136 0.160 0.024 3 0 no 0.642 0 1
1 183 ASP QB 59 no 57.1 75.7 0.048 0.063 0.015 5 0 no 0.459 0 0
1 184 TYR QB 120 no 76.2 23.7 0.225 0.947 0.723 3 0 yes 1.771 5 5
1 186 GLN QB 175 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 186 GLN QE 4 no 100.0 96.3 1.275 1.325 0.049 15 5 no 0.452 0 0
1 186 GLN QG 70 no 61.9 17.9 0.011 0.060 0.050 5 3 no 0.452 0 0
1 187 GLN QB 78 no 90.5 99.5 0.126 0.127 0.001 4 0 no 0.110 0 0
1 187 GLN QE 10 no 95.2 53.1 0.272 0.512 0.240 11 2 no 0.814 0 9
1 187 GLN QG 22 no 66.7 38.3 0.141 0.368 0.227 8 2 no 0.796 0 7
1 188 TYR QB 77 no 76.2 30.3 0.037 0.121 0.085 4 0 no 0.606 0 1
1 189 LEU QB 174 no 85.7 76.3 0.054 0.071 0.017 1 0 no 0.390 0 0
1 190 SER QB 44 no 81.0 26.3 0.003 0.010 0.007 6 0 no 0.241 0 0
1 191 LYS QB 55 no 90.5 48.7 0.001 0.002 0.001 6 2 no 0.074 0 0
1 191 LYS QG 58 no 76.2 44.7 0.254 0.568 0.314 5 0 yes 1.476 3 4
1 192 ASN QB 136 no 42.9 94.8 0.001 0.001 0.000 3 1 no 0.019 0 0
1 192 ASN QD 41 no 100.0 100.0 0.345 0.345 0.000 7 3 no 0.019 0 0
1 193 PRO QB 146 yes 100.0 99.6 0.386 0.388 0.001 2 0 no 0.168 0 0
1 193 PRO QD 119 no 33.3 69.3 0.017 0.024 0.008 3 0 no 0.390 0 0
1 194 ASP QB 145 no 76.2 96.1 0.000 0.000 0.000 2 0 no 0.049 0 0
1 195 GLY QA 76 no 100.0 94.8 0.010 0.010 0.001 4 0 no 0.121 0 0
1 196 TYR QB 144 no 71.4 69.2 0.005 0.007 0.002 2 0 no 0.285 0 0
1 198 GLY QA 143 no 14.3 5.1 0.000 0.001 0.000 2 0 no 0.087 0 0
1 201 GLY QA 118 no 57.1 94.2 0.034 0.036 0.002 3 0 no 0.125 0 0
1 203 GLY QA 75 no 61.9 7.9 0.001 0.014 0.013 4 0 no 0.170 0 0
1 204 VAL QG 117 no 42.9 12.8 0.104 0.809 0.705 3 0 yes 1.361 8 12
1 206 CYS QB 142 no 28.6 50.5 0.010 0.020 0.010 2 0 no 0.261 0 0
1 207 PRO QB 141 no 90.5 31.1 0.085 0.273 0.188 2 0 yes 1.792 1 7
1 211 LYS QB 140 no 28.6 32.8 0.008 0.025 0.017 2 0 no 0.588 0 1
stop_
save_