NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
542542 | 2ldm | 17673 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ldm save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 2 _TA_constraint_stats_list.Viol_count 4 _TA_constraint_stats_list.Viol_total 16.66 _TA_constraint_stats_list.Viol_max 0.29 _TA_constraint_stats_list.Viol_rms 0.07 _TA_constraint_stats_list.Viol_average_all_restraints 0.02 _TA_constraint_stats_list.Viol_average_violations_only 0.21 _TA_constraint_stats_list.Cutoff_violation_report 5.00 _TA_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * ID of the restraint list. * 3 * Number of restraints in list. * 4 * Number of violated restraints (each model violation is used). * 5 * Sum of violations in degrees. * 6 * Maximum violation of a restraint without averaging in any way. * 7 * Rms of violations over all restraints. * 8 * Average violation over all restraints. * 9 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. Threshold for reporting violations (degrees) in the last columns of the next table. * 10 * This tag. Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. * 2 * Torsion angle name where available. * 3 * First atom's: * 4 * Chain identifier (can be absent if none defined) * 5 * Residue number * 6 * Residue name * 7 * Name of (pseudo-)atom * 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18. * 19 * Lower bound (degrees) * 20 * Upper bound (degrees) * 21 * Average angle in ensemble of models * 22 * Minimum angle in ensemble of models (counter clockwise from range) * 23 * Maximum angle in ensemble of models (clockwise from range) * 24 * Maximum violation (without any averaging) * 25 * Model number with the maximum violation * 26 * Number of models with a violation above cutoff * 27 * List of models with a violation above cutoff. See description above. * 28 * Administrative tag * 29 * Administrative tag ; loop_ _TA_constraint_stats.Restraint_ID _TA_constraint_stats.Torsion_angle_name _TA_constraint_stats.Entity_assembly_ID_1 _TA_constraint_stats.Comp_index_ID_1 _TA_constraint_stats.Comp_ID_1 _TA_constraint_stats.Atom_ID_1 _TA_constraint_stats.Entity_assembly_ID_2 _TA_constraint_stats.Comp_index_ID_2 _TA_constraint_stats.Comp_ID_2 _TA_constraint_stats.Atom_ID_2 _TA_constraint_stats.Entity_assembly_ID_3 _TA_constraint_stats.Comp_index_ID_3 _TA_constraint_stats.Comp_ID_3 _TA_constraint_stats.Atom_ID_3 _TA_constraint_stats.Entity_assembly_ID_4 _TA_constraint_stats.Comp_index_ID_4 _TA_constraint_stats.Comp_ID_4 _TA_constraint_stats.Atom_ID_4 _TA_constraint_stats.Angle_lower_bound_val _TA_constraint_stats.Angle_upper_bound_val _TA_constraint_stats.Angle_average _TA_constraint_stats.Angle_minimum _TA_constraint_stats.Angle_maximum _TA_constraint_stats.Max_violation _TA_constraint_stats.Max_violation_model_number _TA_constraint_stats.Over_cutoff_violation_count _TA_constraint_stats.Over_cutoff_violation_per_model 1 . 1 4 SER CA 1 4 SER OG 1 4 SER HB2 1 4 SER HB3 60.00 80.00 71.54 71.56 71.54 . . 0 "[ . 1 . 2]" 2 . 1 5 SER CA 1 5 SER N 1 4 SER C 1 4 SER CA 170.00 -170.00 -176.46 172.38 -169.71 0.29 20 0 "[ . 1 . 2]" stop_ save_ save_dihedral_constraint_statistics_2 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 1 _TA_constraint_stats_list.Viol_count 20 _TA_constraint_stats_list.Viol_total 67.13 _TA_constraint_stats_list.Viol_max 0.43 _TA_constraint_stats_list.Viol_rms 0.12 _TA_constraint_stats_list.Viol_average_all_restraints 0.17 _TA_constraint_stats_list.Viol_average_violations_only 0.17 _TA_constraint_stats_list.Cutoff_violation_report 5.00 _TA_constraint_stats_list.Details . loop_ _TA_constraint_stats.Restraint_ID _TA_constraint_stats.Torsion_angle_name _TA_constraint_stats.Entity_assembly_ID_1 _TA_constraint_stats.Comp_index_ID_1 _TA_constraint_stats.Comp_ID_1 _TA_constraint_stats.Atom_ID_1 _TA_constraint_stats.Entity_assembly_ID_2 _TA_constraint_stats.Comp_index_ID_2 _TA_constraint_stats.Comp_ID_2 _TA_constraint_stats.Atom_ID_2 _TA_constraint_stats.Entity_assembly_ID_3 _TA_constraint_stats.Comp_index_ID_3 _TA_constraint_stats.Comp_ID_3 _TA_constraint_stats.Atom_ID_3 _TA_constraint_stats.Entity_assembly_ID_4 _TA_constraint_stats.Comp_index_ID_4 _TA_constraint_stats.Comp_ID_4 _TA_constraint_stats.Atom_ID_4 _TA_constraint_stats.Angle_lower_bound_val _TA_constraint_stats.Angle_upper_bound_val _TA_constraint_stats.Angle_average _TA_constraint_stats.Angle_minimum _TA_constraint_stats.Angle_maximum _TA_constraint_stats.Max_violation _TA_constraint_stats.Max_violation_model_number _TA_constraint_stats.Over_cutoff_violation_count _TA_constraint_stats.Over_cutoff_violation_per_model 1 . 1 6 GLU CG 1 6 GLU OE1 1 6 GLU CD 1 6 GLU OE2 180.00 180.00 180.00 179.95 179.95 0.43 7 0 "[ . 1 . 2]" stop_ save_ save_dihedral_constraint_statistics_3 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 105 _TA_constraint_stats_list.Viol_count 182 _TA_constraint_stats_list.Viol_total 6336.67 _TA_constraint_stats_list.Viol_max 4.99 _TA_constraint_stats_list.Viol_rms 0.61 _TA_constraint_stats_list.Viol_average_all_restraints 0.15 _TA_constraint_stats_list.Viol_average_violations_only 1.74 _TA_constraint_stats_list.Cutoff_violation_report 5.00 _TA_constraint_stats_list.Details . loop_ _TA_constraint_stats.Restraint_ID _TA_constraint_stats.Torsion_angle_name _TA_constraint_stats.Entity_assembly_ID_1 _TA_constraint_stats.Comp_index_ID_1 _TA_constraint_stats.Comp_ID_1 _TA_constraint_stats.Atom_ID_1 _TA_constraint_stats.Entity_assembly_ID_2 _TA_constraint_stats.Comp_index_ID_2 _TA_constraint_stats.Comp_ID_2 _TA_constraint_stats.Atom_ID_2 _TA_constraint_stats.Entity_assembly_ID_3 _TA_constraint_stats.Comp_index_ID_3 _TA_constraint_stats.Comp_ID_3 _TA_constraint_stats.Atom_ID_3 _TA_constraint_stats.Entity_assembly_ID_4 _TA_constraint_stats.Comp_index_ID_4 _TA_constraint_stats.Comp_ID_4 _TA_constraint_stats.Atom_ID_4 _TA_constraint_stats.Angle_lower_bound_val _TA_constraint_stats.Angle_upper_bound_val _TA_constraint_stats.Angle_average _TA_constraint_stats.Angle_minimum _TA_constraint_stats.Angle_maximum _TA_constraint_stats.Max_violation _TA_constraint_stats.Max_violation_model_number _TA_constraint_stats.Over_cutoff_violation_count _TA_constraint_stats.Over_cutoff_violation_per_model 1 . 1 7 PHE C 1 8 GLN N 1 8 GLN CA 1 8 GLN C -143.16 -83.16 -119.53 -121.95 -134.57 2.08 20 0 "[ . 1 . 2]" 2 . 1 8 GLN N 1 8 GLN CA 1 8 GLN C 1 9 ILE N 124.60 -175.40 -173.88 -175.35 -172.87 2.53 1 0 "[ . 1 . 2]" 3 . 1 11 GLU C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -125.43 -65.43 -72.08 -69.70 -70.46 1.20 18 0 "[ . 1 . 2]" 4 . 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 VAL N 113.78 173.78 151.06 149.02 147.99 . . 0 "[ . 1 . 2]" 5 . 1 12 GLN C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -163.99 -103.99 -148.58 -151.93 -144.42 . . 0 "[ . 1 . 2]" 6 . 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 LEU N 120.71 -179.29 167.50 160.40 175.16 . . 0 "[ . 1 . 2]" 7 . 1 13 VAL C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -156.32 -96.32 -100.93 -115.29 -94.97 1.35 16 0 "[ . 1 . 2]" 8 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 ALA N 106.64 166.64 126.91 122.72 133.57 . . 0 "[ . 1 . 2]" 9 . 1 14 LEU C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -152.54 -92.54 -135.55 -140.72 -130.58 . . 0 "[ . 1 . 2]" 10 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 SER N 107.62 167.62 141.30 145.12 144.14 . . 0 "[ . 1 . 2]" 11 . 1 15 ALA C 1 16 SER N 1 16 SER CA 1 16 SER C -130.69 -70.69 -69.19 -70.24 -68.66 2.03 18 0 "[ . 1 . 2]" 12 . 1 16 SER N 1 16 SER CA 1 16 SER C 1 17 TRP N 91.56 151.56 117.22 107.89 105.73 . . 0 "[ . 1 . 2]" 13 . 1 16 SER C 1 17 TRP N 1 17 TRP CA 1 17 TRP C -126.28 -66.28 -85.69 -123.51 -66.82 . . 0 "[ . 1 . 2]" 14 . 1 17 TRP N 1 17 TRP CA 1 17 TRP C 1 18 SER N 101.00 161.00 157.32 162.56 159.51 3.25 12 0 "[ . 1 . 2]" 15 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 TYR N 105.00 165.00 139.78 140.71 140.07 . . 0 "[ . 1 . 2]" 16 . 1 22 PHE C 1 23 TYR N 1 23 TYR CA 1 23 TYR C -169.00 -109.00 -144.69 -149.70 -140.61 . . 0 "[ . 1 . 2]" 17 . 1 23 TYR N 1 23 TYR CA 1 23 TYR C 1 24 PRO N 105.00 165.00 158.93 159.30 158.79 . . 0 "[ . 1 . 2]" 18 . 1 24 PRO C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -169.00 -109.00 -153.88 -152.52 -152.77 . . 0 "[ . 1 . 2]" 19 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 LYS N 105.00 165.00 164.02 155.70 169.22 4.22 15 0 "[ . 1 . 2]" 20 . 1 25 ALA C 1 26 LYS N 1 26 LYS CA 1 26 LYS C -138.37 -78.37 -97.75 -91.83 -95.24 . . 0 "[ . 1 . 2]" 21 . 1 26 LYS N 1 26 LYS CA 1 26 LYS C 1 27 VAL N 87.38 147.38 134.41 130.87 130.41 0.54 4 0 "[ . 1 . 2]" 22 . 1 26 LYS C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -107.42 -47.42 -68.40 -72.60 -65.60 . . 0 "[ . 1 . 2]" 23 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 THR N 94.63 154.63 137.30 133.16 142.45 . . 0 "[ . 1 . 2]" 24 . 1 27 VAL C 1 28 THR N 1 28 THR CA 1 28 THR C -126.57 -66.57 -114.29 -116.05 -117.44 . . 0 "[ . 1 . 2]" 25 . 1 28 THR N 1 28 THR CA 1 28 THR C 1 29 ALA N -57.83 2.17 -31.89 -33.69 -28.64 . . 0 "[ . 1 . 2]" 26 . 1 28 THR C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -148.41 -88.41 -152.38 -153.40 -151.92 4.99 11 0 "[ . 1 . 2]" 27 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 VAL N 111.68 171.68 163.04 158.99 165.21 . . 0 "[ . 1 . 2]" 28 . 1 34 GLY C 1 35 THR N 1 35 THR CA 1 35 THR C -156.43 -96.43 -129.05 -131.85 -120.76 . . 0 "[ . 1 . 2]" 29 . 1 35 THR N 1 35 THR CA 1 35 THR C 1 36 TYR N 120.60 -179.40 169.71 167.93 165.74 . . 0 "[ . 1 . 2]" 30 . 1 35 THR C 1 36 TYR N 1 36 TYR CA 1 36 TYR C -156.45 -96.45 -143.81 -148.75 -140.48 . . 0 "[ . 1 . 2]" 31 . 1 36 TYR N 1 36 TYR CA 1 36 TYR C 1 37 THR N 96.17 156.17 153.68 149.41 145.91 0.42 18 0 "[ . 1 . 2]" 32 . 1 36 TYR C 1 37 THR N 1 37 THR CA 1 37 THR C -135.44 -75.44 -132.07 -135.21 -124.88 . . 0 "[ . 1 . 2]" 33 . 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 VAL N 103.71 163.71 133.33 132.19 131.94 . . 0 "[ . 1 . 2]" 34 . 1 37 THR C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -164.47 -104.47 -139.68 -138.05 -138.65 . . 0 "[ . 1 . 2]" 35 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 LYS N 120.53 -179.47 156.40 153.00 149.90 . . 0 "[ . 1 . 2]" 36 . 1 38 VAL C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -132.59 -72.59 -120.40 -123.96 -114.19 . . 0 "[ . 1 . 2]" 37 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 PHE N 101.38 161.38 124.95 122.39 120.63 . . 0 "[ . 1 . 2]" 38 . 1 39 LYS C 1 40 PHE N 1 40 PHE CA 1 40 PHE C -130.72 -70.72 -82.11 -92.64 -76.43 . . 0 "[ . 1 . 2]" 39 . 1 40 PHE N 1 40 PHE CA 1 40 PHE C 1 41 TYR N 98.55 158.55 149.52 145.50 140.76 . . 0 "[ . 1 . 2]" 40 . 1 40 PHE C 1 41 TYR N 1 41 TYR CA 1 41 TYR C -104.09 -44.09 -63.60 -62.63 -63.00 . . 0 "[ . 1 . 2]" 41 . 1 41 TYR N 1 41 TYR CA 1 41 TYR C 1 42 ASP N -48.39 11.61 -24.57 -30.54 -21.07 . . 0 "[ . 1 . 2]" 42 . 1 44 VAL C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -132.89 -72.89 -131.41 -132.51 -132.98 0.81 8 0 "[ . 1 . 2]" 43 . 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 GLN N 98.16 158.16 143.47 139.06 145.81 . . 0 "[ . 1 . 2]" 44 . 1 45 VAL C 1 46 GLN N 1 46 GLN CA 1 46 GLN C -156.69 -96.69 -150.96 -153.67 -154.01 . . 0 "[ . 1 . 2]" 45 . 1 46 GLN N 1 46 GLN CA 1 46 GLN C 1 47 THR N 117.45 177.45 155.90 153.31 159.73 . . 0 "[ . 1 . 2]" 46 . 1 46 GLN C 1 47 THR N 1 47 THR CA 1 47 THR C -133.21 -73.21 -107.41 -100.05 -106.64 . . 0 "[ . 1 . 2]" 47 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 VAL N 98.58 158.58 131.99 138.13 136.66 . . 0 "[ . 1 . 2]" 48 . 1 47 THR C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -160.40 -100.40 -147.77 -149.28 -149.55 . . 0 "[ . 1 . 2]" 49 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 LYS N 121.34 -178.66 177.84 171.91 -178.54 0.12 16 0 "[ . 1 . 2]" 50 . 1 48 VAL C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -114.85 -54.85 -98.73 -100.30 -101.30 . . 0 "[ . 1 . 2]" 51 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 HIS N 115.64 175.64 168.01 164.73 169.54 . . 0 "[ . 1 . 2]" 52 . 1 49 LYS C 1 50 HIS N 1 50 HIS CA 1 50 HIS C -96.33 -36.33 -54.74 -56.01 -53.17 . . 0 "[ . 1 . 2]" 53 . 1 50 HIS N 1 50 HIS CA 1 50 HIS C 1 51 ILE N -61.72 -1.72 -38.61 -38.58 -39.03 . . 0 "[ . 1 . 2]" 54 . 1 50 HIS C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -119.90 -59.90 -63.12 -62.87 -63.26 . . 0 "[ . 1 . 2]" 55 . 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 HIS N -38.25 21.75 -9.02 -16.78 -5.05 . . 0 "[ . 1 . 2]" 56 . 1 52 HIS C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -139.81 -79.81 -142.16 -142.50 -142.59 3.30 5 0 "[ . 1 . 2]" 57 . 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 LYS N 98.93 158.93 140.80 140.20 139.63 . . 0 "[ . 1 . 2]" 58 . 1 53 VAL C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -153.64 -93.64 -149.01 -147.09 -147.37 . . 0 "[ . 1 . 2]" 59 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 ALA N 128.25 -171.75 175.18 175.03 174.30 . . 0 "[ . 1 . 2]" 60 . 1 54 LYS C 1 55 ALA N 1 55 ALA CA 1 55 ALA C -116.66 -56.66 -57.43 -61.64 -54.17 2.49 11 0 "[ . 1 . 2]" 61 . 1 55 ALA N 1 55 ALA CA 1 55 ALA C 1 56 PHE N 107.42 167.42 167.46 168.09 167.97 2.48 18 0 "[ . 1 . 2]" 62 . 1 56 PHE C 1 57 SER N 1 57 SER CA 1 57 SER C -125.80 -65.80 -65.93 -63.21 -64.10 3.66 7 0 "[ . 1 . 2]" 63 . 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 LYS N 88.91 148.91 121.05 118.37 117.28 . . 0 "[ . 1 . 2]" 64 . 1 60 GLN C 1 61 ASN N 1 61 ASN CA 1 61 ASN C -133.79 -73.79 -75.92 -85.08 -72.92 0.87 7 0 "[ . 1 . 2]" 65 . 1 61 ASN N 1 61 ASN CA 1 61 ASN C 1 62 ILE N 115.89 175.89 163.07 163.58 159.10 0.50 18 0 "[ . 1 . 2]" 66 . 1 7 PHE N 1 7 PHE CA 1 7 PHE CB 1 7 PHE CG -90.00 -30.00 -43.47 -41.66 -42.28 . . 0 "[ . 1 . 2]" 67 . 1 8 GLN N 1 8 GLN CA 1 8 GLN CB 1 8 GLN CG -90.00 -30.00 -59.55 -78.91 -39.26 . . 0 "[ . 1 . 2]" 68 . 1 9 ILE CA 1 9 ILE CB 1 9 ILE CG1 1 9 ILE CD1 150.00 -150.00 177.67 174.72 -178.81 . . 0 "[ . 1 . 2]" 69 . 1 10 ASN N 1 10 ASN CA 1 10 ASN CB 1 10 ASN CG -90.00 -30.00 -66.72 -64.73 -66.25 0.83 4 0 "[ . 1 . 2]" 70 . 1 11 GLU N 1 11 GLU CA 1 11 GLU CB 1 11 GLU CG 150.00 -150.00 -172.89 -177.21 -159.64 . . 0 "[ . 1 . 2]" 71 . 1 12 GLN N 1 12 GLN CA 1 12 GLN CB 1 12 GLN CG -90.00 -30.00 -67.06 -74.10 -75.40 . . 0 "[ . 1 . 2]" 72 . 1 13 VAL N 1 13 VAL CA 1 13 VAL CB 1 13 VAL CG1 -90.00 -30.00 -83.13 -87.57 -80.03 . . 0 "[ . 1 . 2]" 73 . 1 14 LEU N 1 14 LEU CA 1 14 LEU CB 1 14 LEU CG -90.00 -30.00 -79.41 -84.85 -86.27 . . 0 "[ . 1 . 2]" 74 . 1 16 SER N 1 16 SER CA 1 16 SER CB 1 16 SER OG -90.00 -30.00 -75.47 -86.32 -69.87 . . 0 "[ . 1 . 2]" 75 . 1 17 TRP N 1 17 TRP CA 1 17 TRP CB 1 17 TRP CG 150.00 -150.00 -164.90 -168.69 -159.72 . . 0 "[ . 1 . 2]" 76 . 1 18 SER N 1 18 SER CA 1 18 SER CB 1 18 SER OG -90.00 -30.00 -46.60 -48.04 -43.27 . . 0 "[ . 1 . 2]" 77 . 1 22 PHE N 1 22 PHE CA 1 22 PHE CB 1 22 PHE CG -90.00 -30.00 -58.63 -58.09 -58.51 . . 0 "[ . 1 . 2]" 78 . 1 23 TYR N 1 23 TYR CA 1 23 TYR CB 1 23 TYR CG -90.00 -30.00 -72.18 -69.77 -70.74 . . 0 "[ . 1 . 2]" 79 . 1 27 VAL N 1 27 VAL CA 1 27 VAL CB 1 27 VAL CG1 150.00 -150.00 -178.74 179.14 -176.71 . . 0 "[ . 1 . 2]" 80 . 1 28 THR N 1 28 THR CA 1 28 THR CB 1 28 THR OG1 30.00 90.00 50.56 49.36 47.98 . . 0 "[ . 1 . 2]" 81 . 1 30 VAL N 1 30 VAL CA 1 30 VAL CB 1 30 VAL CG1 150.00 -150.00 -175.07 -176.86 -173.58 . . 0 "[ . 1 . 2]" 82 . 1 31 ASN N 1 31 ASN CA 1 31 ASN CB 1 31 ASN CG -90.00 -30.00 -55.34 -51.92 -52.56 . . 0 "[ . 1 . 2]" 83 . 1 32 LYS N 1 32 LYS CA 1 32 LYS CB 1 32 LYS CG 150.00 -150.00 -170.77 -165.75 -170.03 . . 0 "[ . 1 . 2]" 84 . 1 33 ASP N 1 33 ASP CA 1 33 ASP CB 1 33 ASP CG 150.00 -150.00 -179.20 179.24 -176.69 . . 0 "[ . 1 . 2]" 85 . 1 35 THR N 1 35 THR CA 1 35 THR CB 1 35 THR OG1 30.00 90.00 58.55 61.58 60.67 . . 0 "[ . 1 . 2]" 86 . 1 37 THR N 1 37 THR CA 1 37 THR CB 1 37 THR OG1 -90.00 -30.00 -41.62 -42.38 -47.54 . . 0 "[ . 1 . 2]" 87 . 1 38 VAL N 1 38 VAL CA 1 38 VAL CB 1 38 VAL CG1 -90.00 -30.00 -67.34 -68.99 -73.52 . . 0 "[ . 1 . 2]" 88 . 1 39 LYS N 1 39 LYS CA 1 39 LYS CB 1 39 LYS CG 150.00 -150.00 173.82 171.75 170.18 . . 0 "[ . 1 . 2]" 89 . 1 40 PHE N 1 40 PHE CA 1 40 PHE CB 1 40 PHE CG -90.00 -30.00 -68.65 -72.45 -64.30 . . 0 "[ . 1 . 2]" 90 . 1 41 TYR N 1 41 TYR CA 1 41 TYR CB 1 41 TYR CG -90.00 -30.00 -47.20 -53.51 -43.01 . . 0 "[ . 1 . 2]" 91 . 1 42 ASP N 1 42 ASP CA 1 42 ASP CB 1 42 ASP CG 150.00 -150.00 -176.69 177.99 -167.15 . . 0 "[ . 1 . 2]" 92 . 1 44 VAL N 1 44 VAL CA 1 44 VAL CB 1 44 VAL CG1 150.00 -150.00 -179.41 178.76 -176.11 . . 0 "[ . 1 . 2]" 93 . 1 45 VAL N 1 45 VAL CA 1 45 VAL CB 1 45 VAL CG1 150.00 -150.00 -177.59 -179.73 -172.43 . . 0 "[ . 1 . 2]" 94 . 1 46 GLN N 1 46 GLN CA 1 46 GLN CB 1 46 GLN CG 30.00 90.00 58.08 47.90 62.55 . . 0 "[ . 1 . 2]" 95 . 1 47 THR N 1 47 THR CA 1 47 THR CB 1 47 THR OG1 -90.00 -30.00 -45.08 -45.05 -58.50 . . 0 "[ . 1 . 2]" 96 . 1 48 VAL N 1 48 VAL CA 1 48 VAL CB 1 48 VAL CG1 -90.00 -30.00 -80.69 -90.30 -74.73 0.30 18 0 "[ . 1 . 2]" 97 . 1 49 LYS N 1 49 LYS CA 1 49 LYS CB 1 49 LYS CG -90.00 -30.00 -62.54 -65.53 -60.45 . . 0 "[ . 1 . 2]" 98 . 1 50 HIS N 1 50 HIS CA 1 50 HIS CB 1 50 HIS CG 150.00 -150.00 170.16 171.38 170.72 . . 0 "[ . 1 . 2]" 99 . 1 51 ILE CA 1 51 ILE CB 1 51 ILE CG1 1 51 ILE CD1 150.00 -150.00 165.69 164.93 167.02 . . 0 "[ . 1 . 2]" 100 . 1 52 HIS N 1 52 HIS CA 1 52 HIS CB 1 52 HIS CG -90.00 -30.00 -52.84 -56.34 -50.67 . . 0 "[ . 1 . 2]" 101 . 1 53 VAL N 1 53 VAL CA 1 53 VAL CB 1 53 VAL CG1 150.00 -150.00 -172.39 -171.98 -172.12 . . 0 "[ . 1 . 2]" 102 . 1 54 LYS N 1 54 LYS CA 1 54 LYS CB 1 54 LYS CG 30.00 90.00 58.86 60.63 59.66 . . 0 "[ . 1 . 2]" 103 . 1 56 PHE N 1 56 PHE CA 1 56 PHE CB 1 56 PHE CG 150.00 -150.00 -164.09 -162.48 -162.87 1.75 9 0 "[ . 1 . 2]" 104 . 1 60 GLN N 1 60 GLN CA 1 60 GLN CB 1 60 GLN CG -90.00 -30.00 -78.16 -84.50 -90.29 1.84 1 0 "[ . 1 . 2]" 105 . 1 61 ASN N 1 61 ASN CA 1 61 ASN CB 1 61 ASN CG 150.00 -150.00 -159.22 -160.72 -162.49 . . 0 "[ . 1 . 2]" stop_ save_
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