NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438895 |
2k5i   |
15837 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2k5i
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 199
_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 0.043
_Stereo_assign_list.Total_e_high_states 180.146
_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 QB 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 1 MET QG 103 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.032 0 0
1 2 LYS QB 95 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 3 LEU QB 145 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 3 LEU QD 90 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.041 0 0
1 4 SER QB 112 no 100.0 0.0 0.000 0.005 0.005 8 0 no 0.141 0 0
1 5 ARG QB 97 no 10.0 100.0 0.001 0.001 0.000 10 2 no 0.000 0 0
1 5 ARG QG 52 no 60.0 99.9 0.139 0.140 0.000 18 6 no 0.039 0 0
1 6 LEU QB 67 no 95.0 99.9 0.000 0.000 0.000 16 8 no 0.047 0 0
1 6 LEU QD 15 no 100.0 100.0 2.450 2.451 0.001 35 7 no 0.069 0 0
1 7 VAL QG 11 no 100.0 100.0 5.967 5.969 0.001 39 16 no 0.060 0 0
1 8 PRO QD 121 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 9 GLY QA 199 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 10 VAL QG 14 no 100.0 100.0 5.841 5.841 0.000 36 11 no 0.028 0 0
1 11 PRO QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 PRO QD 144 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 11 PRO QG 118 no 65.0 100.0 0.175 0.175 0.000 8 5 no 0.000 0 0
1 14 ILE QG 69 no 100.0 0.0 0.000 0.000 0.000 15 1 no 0.000 0 0
1 15 LYS QB 143 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.036 0 0
1 15 LYS QD 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 15 LYS QG 22 no 85.0 100.0 0.600 0.600 0.000 29 4 no 0.035 0 0
1 16 ARG QB 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 16 ARG QG 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 LEU QB 47 no 95.0 100.0 0.088 0.088 0.000 20 10 no 0.000 0 0
1 17 LEU QD 29 no 100.0 100.0 2.758 2.759 0.000 25 7 no 0.068 0 0
1 18 GLU QB 120 no 35.0 98.2 0.074 0.075 0.001 7 2 no 0.128 0 0
1 18 GLU QG 87 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.026 0 0
1 19 VAL QG 9 no 100.0 100.0 2.337 2.338 0.000 47 21 no 0.039 0 0
1 20 SER QB 102 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 22 GLU QB 70 no 45.0 100.0 0.032 0.032 0.000 15 7 no 0.000 0 0
1 22 GLU QG 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 23 LEU QB 59 no 95.0 100.0 0.477 0.477 0.000 17 11 no 0.039 0 0
1 23 LEU QD 6 no 100.0 100.0 18.283 18.284 0.001 53 21 no 0.082 0 0
1 24 HIS QB 42 no 35.0 100.0 0.074 0.074 0.000 21 8 no 0.000 0 0
1 26 LYS QB 78 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.000 0 0
1 26 LYS QD 105 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.009 0 0
1 26 LYS QG 85 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.057 0 0
1 27 LEU QB 58 no 100.0 99.7 0.091 0.091 0.000 17 7 no 0.050 0 0
1 27 LEU QD 3 no 100.0 100.0 6.106 6.106 0.000 55 17 no 0.037 0 0
1 28 VAL QG 48 no 100.0 100.0 1.240 1.240 0.000 19 3 no 0.038 0 0
1 29 GLY QA 198 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 30 MET QB 31 no 100.0 100.0 0.176 0.176 0.000 24 3 no 0.031 0 0
1 30 MET QG 106 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.062 0 0
1 31 GLY QA 81 no 20.0 99.7 0.008 0.008 0.000 13 4 no 0.021 0 0
1 32 PHE QB 174 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 33 VAL QG 17 no 100.0 100.0 5.887 5.887 0.000 34 13 no 0.000 0 0
1 34 PRO QB 175 no 25.0 100.0 0.020 0.020 0.000 3 0 no 0.000 0 0
1 34 PRO QD 173 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 34 PRO QG 176 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 35 GLY QA 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.041 0 0
1 36 GLU QB 51 no 90.0 100.0 0.067 0.067 0.000 18 2 no 0.023 0 0
1 36 GLU QG 56 no 45.0 100.0 0.051 0.051 0.000 17 5 no 0.000 0 0
1 37 GLU QB 68 no 35.0 100.0 0.065 0.065 0.000 15 1 no 0.000 0 0
1 37 GLU QG 54 no 95.0 99.8 0.386 0.387 0.001 17 2 no 0.076 0 0
1 38 ILE QG 43 no 15.0 99.9 0.000 0.000 0.000 20 3 no 0.004 0 0
1 39 GLU QG 44 no 100.0 0.0 0.000 0.000 0.000 20 6 no 0.060 0 0
1 40 ILE QG 99 no 90.0 100.0 0.189 0.189 0.000 10 3 no 0.000 0 0
1 41 VAL QG 10 no 100.0 100.0 12.489 12.489 0.001 40 20 no 0.054 0 0
1 42 GLN QE 65 no 85.0 100.0 0.419 0.419 0.000 16 5 no 0.026 0 0
1 42 GLN QG 41 no 100.0 100.0 0.379 0.379 0.000 21 7 no 0.039 0 0
1 43 VAL QG 23 no 100.0 100.0 15.181 15.181 0.000 29 6 no 0.064 0 0
1 45 PRO QB 119 no 100.0 100.0 0.734 0.735 0.000 7 2 no 0.029 0 0
1 45 PRO QD 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 45 PRO QG 101 no 100.0 100.0 2.080 2.080 0.000 10 4 no 0.037 0 0
1 46 LEU QB 77 no 15.0 100.0 0.001 0.001 0.000 14 6 no 0.000 0 0
1 46 LEU QD 38 no 100.0 100.0 0.640 0.640 0.000 22 10 no 0.000 0 0
1 47 GLY QA 104 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.064 0 0
1 48 ASP QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 PRO QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 PRO QG 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 50 ILE QG 53 no 85.0 100.0 0.218 0.218 0.000 17 1 no 0.006 0 0
1 51 VAL QG 26 no 100.0 100.0 3.521 3.522 0.000 27 9 no 0.031 0 0
1 52 CYS QB 13 no 35.0 99.3 0.020 0.020 0.000 36 10 no 0.030 0 0
1 53 LYS QB 30 no 100.0 100.0 0.533 0.533 0.000 25 8 no 0.000 0 0
1 53 LYS QD 46 no 100.0 99.9 2.391 2.392 0.001 20 7 no 0.056 0 0
1 53 LYS QG 45 no 100.0 100.0 0.460 0.461 0.000 20 7 no 0.039 0 0
1 54 ILE QG 35 no 100.0 100.0 0.801 0.801 0.000 22 3 no 0.000 0 0
1 55 GLY QA 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 56 ASN QB 114 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 56 ASN QD 96 no 5.0 100.0 0.002 0.002 0.000 10 2 no 0.000 0 0
1 57 ARG QB 84 no 45.0 85.7 0.000 0.000 0.000 12 0 no 0.029 0 0
1 58 ASN QB 117 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 58 ASN QD 142 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.059 0 0
1 59 ILE QG 21 no 15.0 100.0 0.002 0.002 0.000 29 3 no 0.000 0 0
1 61 LEU QD 2 no 100.0 99.9 4.016 4.019 0.002 57 8 no 0.084 0 0
1 62 ARG QD 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 62 ARG QG 113 no 80.0 99.9 0.305 0.306 0.000 8 1 no 0.070 0 0
1 63 LYS QB 136 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.015 0 0
1 64 ARG QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 64 ARG QG 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.016 0 0
1 65 GLU QB 55 no 40.0 99.8 0.108 0.108 0.000 17 5 no 0.043 0 0
1 65 GLU QG 139 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 67 ASP QB 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 68 LEU QB 27 no 100.0 100.0 0.230 0.230 0.000 26 7 no 0.026 0 0
1 68 LEU QD 39 no 100.0 99.9 1.349 1.350 0.002 21 6 no 0.128 0 0
1 69 ILE QG 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 GLU QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 GLU QG 92 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.036 0 0
1 71 VAL QG 12 no 100.0 100.0 7.361 7.362 0.002 36 7 no 0.079 0 0
1 72 GLU QB 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
1 73 VAL QG 19 no 100.0 100.0 3.696 3.697 0.001 33 11 no 0.047 0 0
1 74 VAL QG 18 no 100.0 100.0 14.056 14.056 0.000 33 8 no 0.042 0 0
1 75 GLY QA 172 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 77 GLU QB 25 no 10.0 97.0 0.002 0.002 0.000 27 5 no 0.023 0 0
1 78 LEU QB 49 no 95.0 100.0 0.291 0.291 0.000 19 11 no 0.021 0 0
1 78 LEU QD 7 no 100.0 99.9 6.456 6.459 0.003 50 17 no 0.120 0 0
1 79 PRO QB 40 no 85.0 99.6 0.054 0.054 0.000 21 7 no 0.060 0 0
1 79 PRO QD 34 no 100.0 0.0 0.000 0.000 0.000 23 16 no 0.050 0 0
1 79 PRO QG 64 no 95.0 98.1 0.001 0.001 0.000 16 4 no 0.140 0 0
1 80 LEU QD 4 no 100.0 100.0 2.647 2.647 0.000 54 5 no 0.054 0 0
1 81 ILE QG 111 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 82 LEU QB 83 no 70.0 99.9 0.027 0.027 0.000 13 7 no 0.016 0 0
1 82 LEU QD 20 no 100.0 100.0 9.609 9.610 0.001 33 15 no 0.064 0 0
1 84 ASP QB 98 no 55.0 99.4 0.647 0.651 0.004 10 3 no 0.139 0 0
1 85 ASP QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 TYR QB 171 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 89 GLU QG 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 90 ILE QG 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 LYS QB 138 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 92 LYS QD 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.010 0 0
1 92 LYS QE 170 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.089 0 0
1 92 LYS QG 66 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.034 0 0
1 93 LEU QB 82 no 20.0 100.0 0.040 0.040 0.000 13 6 no 0.000 0 0
1 93 LEU QD 16 no 100.0 100.0 2.007 2.007 0.000 34 9 no 0.006 0 0
1 94 ASN QB 37 no 100.0 100.0 0.193 0.193 0.000 22 5 no 0.008 0 0
1 94 ASN QD 33 no 20.0 98.8 0.044 0.045 0.001 24 8 no 0.089 0 0
1 95 GLY QA 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 GLY QA 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 97 ARG QB 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 97 ARG QG 132 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 98 ARG QG 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 99 PHE QB 131 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 100 LEU QB 57 no 45.0 99.9 0.047 0.047 0.000 17 7 no 0.035 0 0
1 100 LEU QD 24 no 100.0 100.0 4.501 4.501 0.000 28 9 no 0.032 0 0
1 101 PHE QB 75 no 100.0 0.0 0.000 0.000 0.000 14 3 no 0.000 0 0
1 102 ARG QB 110 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.006 0 0
1 102 ARG QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 102 ARG QG 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 103 MET QB 80 no 100.0 0.0 0.000 0.000 0.000 13 3 no 0.000 0 0
1 103 MET QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 LYS QB 89 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 104 LYS QD 88 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.005 0 0
1 105 ASN QB 130 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 105 ASN QD 94 no 100.0 100.0 0.000 0.000 0.000 10 0 no 0.024 0 0
1 106 LEU QB 141 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 106 LEU QD 28 no 100.0 100.0 5.610 5.610 0.000 25 6 no 0.000 0 0
1 108 ILE QG 73 no 85.0 100.0 0.325 0.325 0.000 14 1 no 0.022 0 0
1 109 GLU QB 187 no 10.0 83.9 0.000 0.000 0.000 2 0 no 0.021 0 0
1 109 GLU QG 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.071 0 0
1 112 LYS QG 71 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.000 0 0
1 113 LYS QB 63 no 100.0 100.0 0.479 0.479 0.000 16 4 no 0.000 0 0
1 113 LYS QD 61 no 100.0 99.9 1.437 1.437 0.001 16 3 no 0.071 0 0
1 114 ILE QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 GLN QE 72 no 75.0 100.0 1.024 1.024 0.000 14 1 no 0.019 0 0
1 115 GLN QG 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 116 VAL QG 60 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.011 0 0
1 117 SER QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 119 ARG QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 120 ARG QG 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 121 TYR QB 109 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.078 0 0
1 122 TYR QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.027 0 0
1 123 ILE QG 86 no 100.0 0.0 0.000 0.000 0.000 12 1 no 0.029 0 0
1 124 GLU QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 124 GLU QG 108 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.019 0 0
1 127 GLU QB 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 128 ILE QG 50 no 80.0 100.0 0.291 0.291 0.000 18 1 no 0.016 0 0
1 129 ASP QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 130 LEU QB 36 no 75.0 100.0 0.142 0.142 0.000 22 5 no 0.023 0 0
1 130 LEU QD 5 no 100.0 100.0 5.057 5.057 0.000 53 13 no 0.047 0 0
1 132 TYR QB 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 133 GLY QA 74 no 75.0 99.8 0.083 0.083 0.000 14 2 no 0.048 0 0
1 134 GLU QG 137 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 137 LYS QB 79 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 137 LYS QD 116 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 137 LYS QE 91 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.054 0 0
1 138 ILE QG 62 no 100.0 100.0 1.120 1.120 0.000 16 4 no 0.019 0 0
1 139 TRP QB 140 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 140 VAL QG 1 no 100.0 100.0 7.439 7.439 0.000 66 11 no 0.026 0 0
1 141 ARG QD 126 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.070 0 0
1 141 ARG QG 32 no 55.0 99.9 0.039 0.039 0.000 24 6 no 0.021 0 0
1 142 ARG QB 125 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 142 ARG QG 107 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.003 0 0
1 143 VAL QG 8 no 100.0 99.9 5.914 5.919 0.004 49 6 no 0.197 0 0
1 144 SER QB 76 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.037 0 0
1 145 ASP QB 93 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 148 GLU QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 148 GLU QG 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.046 0 0
1 149 GLU QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 152 PRO QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 152 PRO QD 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 153 GLN QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.029 0 0
1 153 GLN QE 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 154 LYS QB 123 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 154 LYS QG 122 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 155 LEU QB 115 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 155 LEU QD 100 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.034 0 0
1 156 GLU QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 156 GLU QG 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 157 HIS QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
Contact the webmaster for help, if required. Friday, May 3, 2024 10:01:38 AM GMT (wattos1)