NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
548904 | 2lh9 | 17835 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lh9 save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 187 _TA_constraint_stats_list.Viol_count 271 _TA_constraint_stats_list.Viol_total 5770.87 _TA_constraint_stats_list.Viol_max 3.59 _TA_constraint_stats_list.Viol_rms 0.35 _TA_constraint_stats_list.Viol_average_all_restraints 0.08 _TA_constraint_stats_list.Viol_average_violations_only 1.06 _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 2 HIS C 1 3 MET N 1 3 MET CA 1 3 MET C -117.00 -57.00 -69.83 -118.33 -59.98 1.33 17 0 "[ . 1 . 2]" 2 . 1 3 MET N 1 3 MET CA 1 3 MET C 1 4 LEU N 102.00 162.00 148.19 149.62 149.07 . . 0 "[ . 1 . 2]" 3 . 1 4 LEU C 1 5 GLU N 1 5 GLU CA 1 5 GLU C -99.28 -39.28 -57.82 -60.12 -51.18 . . 0 "[ . 1 . 2]" 4 . 1 5 GLU N 1 5 GLU CA 1 5 GLU C 1 6 ALA N -66.56 -6.56 -53.33 -58.31 -46.26 . . 0 "[ . 1 . 2]" 5 . 1 5 GLU C 1 6 ALA N 1 6 ALA CA 1 6 ALA C -93.73 -33.73 -68.46 -75.20 -65.29 . . 0 "[ . 1 . 2]" 6 . 1 6 ALA N 1 6 ALA CA 1 6 ALA C 1 7 ASP N -67.50 -7.50 -34.26 -39.77 -30.56 . . 0 "[ . 1 . 2]" 7 . 1 6 ALA C 1 7 ASP N 1 7 ASP CA 1 7 ASP C -95.24 -35.24 -68.54 -71.32 -75.22 . . 0 "[ . 1 . 2]" 8 . 1 7 ASP N 1 7 ASP CA 1 7 ASP C 1 8 LEU N -67.67 -7.67 -40.13 -42.83 -35.92 . . 0 "[ . 1 . 2]" 9 . 1 7 ASP C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -91.46 -31.46 -59.51 -59.11 -59.82 . . 0 "[ . 1 . 2]" 10 . 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 VAL N -72.71 -12.71 -56.34 -59.74 -53.76 . . 0 "[ . 1 . 2]" 11 . 1 8 LEU C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -93.38 -33.38 -65.25 -68.92 -62.55 . . 0 "[ . 1 . 2]" 12 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 SER N -73.60 -13.60 -39.64 -38.43 -39.14 . . 0 "[ . 1 . 2]" 13 . 1 9 VAL C 1 10 SER N 1 10 SER CA 1 10 SER C -90.36 -30.36 -65.46 -67.71 -63.54 . . 0 "[ . 1 . 2]" 14 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 LYS N -69.76 -9.76 -46.99 -47.86 -49.03 . . 0 "[ . 1 . 2]" 15 . 1 10 SER C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -94.18 -34.18 -66.98 -68.47 -64.48 . . 0 "[ . 1 . 2]" 16 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 MET N -71.29 -11.29 -41.90 -40.49 -40.85 . . 0 "[ . 1 . 2]" 17 . 1 11 LYS C 1 12 MET N 1 12 MET CA 1 12 MET C -99.00 -39.00 -68.33 -67.35 -68.34 . . 0 "[ . 1 . 2]" 18 . 1 12 MET N 1 12 MET CA 1 12 MET C 1 13 LEU N -65.23 -5.23 -43.12 -48.81 -38.07 . . 0 "[ . 1 . 2]" 19 . 1 12 MET C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -91.34 -31.34 -49.24 -49.93 -50.29 . . 0 "[ . 1 . 2]" 20 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 ARG N -73.02 -13.02 -57.51 -59.64 -56.11 . . 0 "[ . 1 . 2]" 21 . 1 13 LEU C 1 14 ARG N 1 14 ARG CA 1 14 ARG C -92.46 -32.46 -52.46 -52.59 -52.88 . . 0 "[ . 1 . 2]" 22 . 1 14 ARG N 1 14 ARG CA 1 14 ARG C 1 15 ALA N -69.76 -9.76 -45.98 -45.57 -45.78 . . 0 "[ . 1 . 2]" 23 . 1 14 ARG C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -94.79 -34.79 -66.67 -67.43 -67.51 . . 0 "[ . 1 . 2]" 24 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 VAL N -69.03 -9.03 -41.92 -40.88 -41.41 . . 0 "[ . 1 . 2]" 25 . 1 15 ALA C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -94.99 -34.99 -59.59 -62.48 -58.27 . . 0 "[ . 1 . 2]" 26 . 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 LEU N -75.52 -15.52 -45.24 -45.59 -46.36 . . 0 "[ . 1 . 2]" 27 . 1 16 VAL C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -92.17 -32.17 -64.19 -63.19 -63.58 . . 0 "[ . 1 . 2]" 28 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 GLN N -68.03 -8.03 -37.61 -36.97 -37.07 . . 0 "[ . 1 . 2]" 29 . 1 17 LEU C 1 18 GLN N 1 18 GLN CA 1 18 GLN C -96.72 -36.72 -66.77 -72.05 -63.30 . . 0 "[ . 1 . 2]" 30 . 1 18 GLN N 1 18 GLN CA 1 18 GLN C 1 19 SER N -58.11 1.89 -37.99 -38.94 -39.11 . . 0 "[ . 1 . 2]" 31 . 1 18 GLN C 1 19 SER N 1 19 SER CA 1 19 SER C -109.70 -49.70 -67.16 -66.09 -66.92 . . 0 "[ . 1 . 2]" 32 . 1 19 SER N 1 19 SER CA 1 19 SER C 1 20 HIS N -50.59 9.41 -36.79 -38.87 -41.25 . . 0 "[ . 1 . 2]" 33 . 1 19 SER C 1 20 HIS N 1 20 HIS CA 1 20 HIS C -135.59 -75.59 -102.13 -114.13 -89.89 . . 0 "[ . 1 . 2]" 34 . 1 20 HIS N 1 20 HIS CA 1 20 HIS C 1 21 LYS N 64.89 124.89 64.28 63.20 66.09 1.69 13 0 "[ . 1 . 2]" 35 . 1 20 HIS C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -92.47 -32.47 -58.80 -58.07 -59.24 . . 0 "[ . 1 . 2]" 36 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 ASN N -57.06 2.94 -24.20 -28.83 -20.65 . . 0 "[ . 1 . 2]" 37 . 1 21 LYS C 1 22 ASN N 1 22 ASN CA 1 22 ASN C -116.59 -56.59 -62.33 -62.81 -63.12 0.06 12 0 "[ . 1 . 2]" 38 . 1 22 ASN N 1 22 ASN CA 1 22 ASN C 1 23 GLY N -24.68 35.32 -15.61 -22.98 -10.73 . . 0 "[ . 1 . 2]" 39 . 1 23 GLY C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -153.89 -93.89 -142.25 -144.12 -139.18 . . 0 "[ . 1 . 2]" 40 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 VAL N 112.49 172.49 123.68 120.44 126.19 . . 0 "[ . 1 . 2]" 41 . 1 25 VAL C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -85.77 -25.77 -48.12 -50.46 -45.45 . . 0 "[ . 1 . 2]" 42 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 PRO N -74.70 -14.70 -36.61 -38.29 -39.15 . . 0 "[ . 1 . 2]" 43 . 1 27 PRO N 1 27 PRO CA 1 27 PRO C 1 28 ARG N -53.38 6.62 -37.79 -39.59 -36.33 . . 0 "[ . 1 . 2]" 44 . 1 27 PRO C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -121.46 -61.46 -66.17 -69.09 -63.01 . . 0 "[ . 1 . 2]" 45 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 LEU N -35.72 24.28 -32.09 -31.85 -32.07 . . 0 "[ . 1 . 2]" 46 . 1 28 ARG C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -85.02 -25.02 -56.57 -57.02 -57.47 . . 0 "[ . 1 . 2]" 47 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 GLN N -78.53 -18.53 -55.83 -55.37 -55.62 . . 0 "[ . 1 . 2]" 48 . 1 29 LEU C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -89.79 -29.79 -52.69 -59.25 -46.71 . . 0 "[ . 1 . 2]" 49 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 GLY N -69.09 -9.09 -46.94 -46.73 -47.18 . . 0 "[ . 1 . 2]" 50 . 1 30 GLN C 1 31 GLY N 1 31 GLY CA 1 31 GLY C -90.77 -30.77 -59.41 -61.87 -55.43 . . 0 "[ . 1 . 2]" 51 . 1 31 GLY N 1 31 GLY CA 1 31 GLY C 1 32 GLU N -72.75 -12.75 -55.49 -56.70 -58.86 . . 0 "[ . 1 . 2]" 52 . 1 31 GLY C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -93.76 -33.76 -70.80 -73.15 -67.35 . . 0 "[ . 1 . 2]" 53 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 TYR N -70.89 -10.89 -39.37 -37.34 -37.91 . . 0 "[ . 1 . 2]" 54 . 1 32 GLU C 1 33 TYR N 1 33 TYR CA 1 33 TYR C -93.66 -33.66 -50.45 -50.44 -51.25 . . 0 "[ . 1 . 2]" 55 . 1 33 TYR N 1 33 TYR CA 1 33 TYR C 1 34 ARG N -69.98 -9.98 -53.60 -53.50 -53.92 . . 0 "[ . 1 . 2]" 56 . 1 33 TYR C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -93.52 -33.52 -65.63 -65.24 -66.67 . . 0 "[ . 1 . 2]" 57 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 SER N -70.12 -10.12 -33.90 -39.86 -25.81 . . 0 "[ . 1 . 2]" 58 . 1 34 ARG C 1 35 SER N 1 35 SER CA 1 35 SER C -97.64 -37.64 -58.29 -58.76 -59.90 . . 0 "[ . 1 . 2]" 59 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 LEU N -65.00 -5.00 -36.97 -38.90 -40.01 . . 0 "[ . 1 . 2]" 60 . 1 35 SER C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -117.00 -57.00 -79.18 -78.17 -79.01 . . 0 "[ . 1 . 2]" 61 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 THR N -62.00 -2.00 -51.74 -53.48 -50.56 . . 0 "[ . 1 . 2]" 62 . 1 36 LEU C 1 37 THR N 1 37 THR CA 1 37 THR C -137.48 -77.48 -77.33 -78.83 -76.49 0.99 15 0 "[ . 1 . 2]" 63 . 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 GLY N -45.23 14.77 -32.21 -36.62 -30.23 . . 0 "[ . 1 . 2]" 64 . 1 37 THR C 1 38 GLY N 1 38 GLY CA 1 38 GLY C 45.92 105.92 76.02 75.04 73.57 . . 0 "[ . 1 . 2]" 65 . 1 38 GLY N 1 38 GLY CA 1 38 GLY C 1 39 ASP N -18.55 41.45 21.02 22.99 22.27 . . 0 "[ . 1 . 2]" 66 . 1 38 GLY C 1 39 ASP N 1 39 ASP CA 1 39 ASP C -154.06 -94.06 -141.98 -143.69 -140.23 . . 0 "[ . 1 . 2]" 67 . 1 39 ASP N 1 39 ASP CA 1 39 ASP C 1 40 TRP N 128.12 -171.88 161.69 167.79 164.37 . . 0 "[ . 1 . 2]" 68 . 1 39 ASP C 1 40 TRP N 1 40 TRP CA 1 40 TRP C -146.06 -86.06 -87.99 -99.45 -84.37 1.69 20 0 "[ . 1 . 2]" 69 . 1 40 TRP N 1 40 TRP CA 1 40 TRP C 1 41 ILE N 114.15 174.15 156.56 151.10 161.28 . . 0 "[ . 1 . 2]" 70 . 1 40 TRP C 1 41 ILE N 1 41 ILE CA 1 41 ILE C -116.56 -56.56 -56.27 -59.80 -54.80 1.76 11 0 "[ . 1 . 2]" 71 . 1 41 ILE N 1 41 ILE CA 1 41 ILE C 1 42 PRO N 103.31 163.31 130.88 132.80 131.65 . . 0 "[ . 1 . 2]" 72 . 1 43 PHE C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -97.54 -37.54 -70.92 -70.02 -70.58 . . 0 "[ . 1 . 2]" 73 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 GLN N -70.74 -10.74 -25.25 -25.99 -26.54 . . 0 "[ . 1 . 2]" 74 . 1 44 LYS C 1 45 GLN N 1 45 GLN CA 1 45 GLN C -95.51 -35.51 -73.19 -77.31 -70.20 . . 0 "[ . 1 . 2]" 75 . 1 45 GLN N 1 45 GLN CA 1 45 GLN C 1 46 LEU N -63.24 -3.24 -39.90 -39.88 -40.21 . . 0 "[ . 1 . 2]" 76 . 1 45 GLN C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -113.23 -53.23 -77.66 -76.90 -77.95 . . 0 "[ . 1 . 2]" 77 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 GLY N -31.68 28.32 -26.22 -28.88 -24.69 . . 0 "[ . 1 . 2]" 78 . 1 46 LEU C 1 47 GLY N 1 47 GLY CA 1 47 GLY C 55.22 115.22 116.68 116.94 116.73 2.15 2 0 "[ . 1 . 2]" 79 . 1 47 GLY N 1 47 GLY CA 1 47 GLY C 1 48 TYR N -17.68 42.32 9.97 6.63 12.05 . . 0 "[ . 1 . 2]" 80 . 1 47 GLY C 1 48 TYR N 1 48 TYR CA 1 48 TYR C -140.57 -80.57 -79.36 -80.11 -78.76 1.81 9 0 "[ . 1 . 2]" 81 . 1 48 TYR N 1 48 TYR CA 1 48 TYR C 1 49 PRO N 115.07 175.07 138.77 137.47 140.31 . . 0 "[ . 1 . 2]" 82 . 1 49 PRO C 1 50 THR N 1 50 THR CA 1 50 THR C -160.15 -100.15 -144.93 -143.63 -144.26 . . 0 "[ . 1 . 2]" 83 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 LEU N 132.69 -167.31 167.29 166.67 166.53 . . 0 "[ . 1 . 2]" 84 . 1 50 THR C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -97.87 -37.87 -60.12 -61.90 -58.70 . . 0 "[ . 1 . 2]" 85 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 GLU N -65.03 -5.03 -42.51 -43.32 -43.77 . . 0 "[ . 1 . 2]" 86 . 1 51 LEU C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -93.05 -33.05 -60.52 -61.36 -59.00 . . 0 "[ . 1 . 2]" 87 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 ALA N -72.74 -12.74 -46.32 -47.48 -44.99 . . 0 "[ . 1 . 2]" 88 . 1 52 GLU C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -88.95 -28.95 -62.54 -62.68 -62.92 . . 0 "[ . 1 . 2]" 89 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 TYR N -73.31 -13.31 -40.61 -41.40 -39.60 . . 0 "[ . 1 . 2]" 90 . 1 53 ALA C 1 54 TYR N 1 54 TYR CA 1 54 TYR C -100.26 -40.26 -56.22 -57.17 -55.27 . . 0 "[ . 1 . 2]" 91 . 1 54 TYR N 1 54 TYR CA 1 54 TYR C 1 55 LEU N -67.21 -7.21 -48.71 -50.16 -47.08 . . 0 "[ . 1 . 2]" 92 . 1 54 TYR C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -96.86 -36.86 -66.98 -67.19 -67.89 . . 0 "[ . 1 . 2]" 93 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 ARG N -65.07 -5.07 -35.22 -36.61 -33.60 . . 0 "[ . 1 . 2]" 94 . 1 55 LEU C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -98.00 -38.00 -57.66 -59.02 -56.45 . . 0 "[ . 1 . 2]" 95 . 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 SER N -51.00 9.00 -36.89 -38.60 -35.27 . . 0 "[ . 1 . 2]" 96 . 1 56 ARG C 1 57 SER N 1 57 SER CA 1 57 SER C -109.21 -49.21 -82.14 -85.46 -79.23 . . 0 "[ . 1 . 2]" 97 . 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 VAL N -49.94 10.06 11.68 11.31 12.07 2.01 13 0 "[ . 1 . 2]" 98 . 1 59 PRO N 1 59 PRO CA 1 59 PRO C 1 60 ALA N -53.44 6.56 -17.14 -18.31 -15.56 . . 0 "[ . 1 . 2]" 99 . 1 60 ALA C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -137.15 -77.15 -134.54 -135.31 -132.11 . . 0 "[ . 1 . 2]" 100 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 VAL N -60.89 -0.89 -23.19 -26.39 -21.36 . . 0 "[ . 1 . 2]" 101 . 1 61 VAL C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -174.31 -114.31 -136.35 -136.22 -136.28 . . 0 "[ . 1 . 2]" 102 . 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 ARG N 110.92 170.92 162.24 161.25 163.57 . . 0 "[ . 1 . 2]" 103 . 1 62 VAL C 1 63 ARG N 1 63 ARG CA 1 63 ARG C -154.33 -94.33 -142.55 -143.31 -143.65 . . 0 "[ . 1 . 2]" 104 . 1 63 ARG N 1 63 ARG CA 1 63 ARG C 1 64 ILE N 94.53 154.53 154.43 152.96 155.57 1.04 9 0 "[ . 1 . 2]" 105 . 1 63 ARG C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -147.14 -87.14 -143.22 -144.48 -140.62 . . 0 "[ . 1 . 2]" 106 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 GLU N 93.05 153.05 153.56 153.80 153.73 1.24 6 0 "[ . 1 . 2]" 107 . 1 64 ILE C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -146.86 -86.86 -129.48 -129.04 -129.30 . . 0 "[ . 1 . 2]" 108 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 ALA N 100.56 160.56 102.06 99.66 105.01 0.90 6 0 "[ . 1 . 2]" 109 . 1 65 GLU C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -140.26 -80.26 -77.58 -79.09 -76.67 3.59 1 0 "[ . 1 . 2]" 110 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 SER N 95.96 155.96 116.46 120.82 120.23 . . 0 "[ . 1 . 2]" 111 . 1 66 ALA C 1 67 SER N 1 67 SER CA 1 67 SER C -114.62 -54.62 -74.83 -77.47 -78.89 . . 0 "[ . 1 . 2]" 112 . 1 67 SER N 1 67 SER CA 1 67 SER C 1 68 ARG N 138.76 -161.24 156.19 151.86 165.80 . . 0 "[ . 1 . 2]" 113 . 1 67 SER C 1 68 ARG N 1 68 ARG CA 1 68 ARG C -93.33 -33.33 -59.41 -56.84 -58.54 . . 0 "[ . 1 . 2]" 114 . 1 68 ARG N 1 68 ARG CA 1 68 ARG C 1 69 SER N -56.81 3.19 -22.25 -30.42 -18.16 . . 0 "[ . 1 . 2]" 115 . 1 68 ARG C 1 69 SER N 1 69 SER CA 1 69 SER C -122.56 -62.56 -70.65 -78.61 -62.52 0.04 12 0 "[ . 1 . 2]" 116 . 1 69 SER N 1 69 SER CA 1 69 SER C 1 70 GLY N -30.58 29.42 -10.50 -12.66 -14.21 . . 0 "[ . 1 . 2]" 117 . 1 70 GLY C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -122.12 -62.12 -100.12 -123.88 -74.01 1.76 4 0 "[ . 1 . 2]" 118 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 ILE N 105.28 165.28 165.35 163.48 166.49 1.21 11 0 "[ . 1 . 2]" 119 . 1 71 GLU C 1 72 ILE N 1 72 ILE CA 1 72 ILE C -136.94 -76.94 -136.57 -137.86 -131.36 0.92 5 0 "[ . 1 . 2]" 120 . 1 72 ILE N 1 72 ILE CA 1 72 ILE C 1 73 VAL N 90.29 150.29 137.49 137.96 137.69 . . 0 "[ . 1 . 2]" 121 . 1 72 ILE C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -147.36 -87.36 -111.17 -119.95 -89.13 . . 0 "[ . 1 . 2]" 122 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 CYS N 98.94 158.94 132.97 126.41 138.46 . . 0 "[ . 1 . 2]" 123 . 1 73 VAL C 1 74 CYS N 1 74 CYS CA 1 74 CYS C -153.69 -93.69 -102.74 -109.31 -111.55 0.25 8 0 "[ . 1 . 2]" 124 . 1 74 CYS N 1 74 CYS CA 1 74 CYS C 1 75 TYR N 115.69 175.69 149.00 146.79 145.85 . . 0 "[ . 1 . 2]" 125 . 1 74 CYS C 1 75 TYR N 1 75 TYR CA 1 75 TYR C -163.92 -103.92 -145.02 -143.65 -143.78 . . 0 "[ . 1 . 2]" 126 . 1 75 TYR N 1 75 TYR CA 1 75 TYR C 1 76 ALA N 123.06 -176.94 166.56 165.72 165.14 . . 0 "[ . 1 . 2]" 127 . 1 3 MET N 1 3 MET CA 1 3 MET CB 1 3 MET CG -90.00 -30.00 -66.52 -65.49 -65.94 . . 0 "[ . 1 . 2]" 128 . 1 4 LEU N 1 4 LEU CA 1 4 LEU CB 1 4 LEU CG -90.00 -30.00 -67.08 -58.61 -59.55 . . 0 "[ . 1 . 2]" 129 . 1 5 GLU N 1 5 GLU CA 1 5 GLU CB 1 5 GLU CG 150.00 180.00 -178.36 -178.95 -177.85 2.15 18 0 "[ . 1 . 2]" 130 . 1 7 ASP N 1 7 ASP CA 1 7 ASP CB 1 7 ASP CG 150.00 -150.00 -173.55 179.00 -167.30 . . 0 "[ . 1 . 2]" 131 . 1 8 LEU N 1 8 LEU CA 1 8 LEU CB 1 8 LEU CG 150.00 -150.00 -179.73 -177.62 -179.08 . . 0 "[ . 1 . 2]" 132 . 1 9 VAL N 1 9 VAL CA 1 9 VAL CB 1 9 VAL CG1 -90.00 -30.00 -57.79 -56.23 -56.73 . . 0 "[ . 1 . 2]" 133 . 1 10 SER N 1 10 SER CA 1 10 SER CB 1 10 SER OG -90.00 -30.00 -58.79 -58.64 -59.24 . . 0 "[ . 1 . 2]" 134 . 1 11 LYS N 1 11 LYS CA 1 11 LYS CB 1 11 LYS CG -90.00 -30.00 -79.89 -80.98 -81.27 1.01 5 0 "[ . 1 . 2]" 135 . 1 12 MET N 1 12 MET CA 1 12 MET CB 1 12 MET CG -90.00 -30.00 -68.11 -64.41 -67.86 . . 0 "[ . 1 . 2]" 136 . 1 13 LEU N 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG 150.00 -150.00 167.57 166.26 163.81 . . 0 "[ . 1 . 2]" 137 . 1 14 ARG N 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG 150.00 -150.00 162.06 158.68 163.77 . . 0 "[ . 1 . 2]" 138 . 1 16 VAL N 1 16 VAL CA 1 16 VAL CB 1 16 VAL CG1 150.00 -150.00 175.03 174.17 173.23 . . 0 "[ . 1 . 2]" 139 . 1 17 LEU N 1 17 LEU CA 1 17 LEU CB 1 17 LEU CG -90.00 -30.00 -65.79 -67.71 -63.44 . . 0 "[ . 1 . 2]" 140 . 1 18 GLN N 1 18 GLN CA 1 18 GLN CB 1 18 GLN CG -90.00 -30.00 -75.13 -76.44 -77.72 . . 0 "[ . 1 . 2]" 141 . 1 19 SER N 1 19 SER CA 1 19 SER CB 1 19 SER OG -90.00 -30.00 -57.91 -58.83 -56.06 . . 0 "[ . 1 . 2]" 142 . 1 20 HIS N 1 20 HIS CA 1 20 HIS CB 1 20 HIS CG -90.00 -30.00 -64.90 -65.80 -63.70 . . 0 "[ . 1 . 2]" 143 . 1 21 LYS N 1 21 LYS CA 1 21 LYS CB 1 21 LYS CG -90.00 -30.00 -70.43 -77.02 -67.99 . . 0 "[ . 1 . 2]" 144 . 1 22 ASN N 1 22 ASN CA 1 22 ASN CB 1 22 ASN CG 150.00 -150.00 -177.51 170.34 -149.63 0.37 15 0 "[ . 1 . 2]" 145 . 1 24 ILE N 1 24 ILE CA 1 24 ILE CB 1 24 ILE CG1 30.00 90.00 33.47 30.73 41.31 . . 0 "[ . 1 . 2]" 146 . 1 25 VAL N 1 25 VAL CA 1 25 VAL CB 1 25 VAL CG1 -90.00 -30.00 -69.96 -71.67 -68.33 . . 0 "[ . 1 . 2]" 147 . 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 30.00 90.00 83.16 78.01 77.50 . . 0 "[ . 1 . 2]" 148 . 1 28 ARG N 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG 150.00 -150.00 -169.47 -170.65 -170.95 . . 0 "[ . 1 . 2]" 149 . 1 29 LEU N 1 29 LEU CA 1 29 LEU CB 1 29 LEU CG 150.00 -150.00 -177.62 -179.06 177.87 . . 0 "[ . 1 . 2]" 150 . 1 30 GLN N 1 30 GLN CA 1 30 GLN CB 1 30 GLN CG -90.00 -30.00 -89.56 -90.75 -91.00 2.44 20 0 "[ . 1 . 2]" 151 . 1 32 GLU N 1 32 GLU CA 1 32 GLU CB 1 32 GLU CG -90.00 -30.00 -65.02 -67.07 -61.24 . . 0 "[ . 1 . 2]" 152 . 1 33 TYR N 1 33 TYR CA 1 33 TYR CB 1 33 TYR CG 150.00 -150.00 164.47 162.11 167.96 . . 0 "[ . 1 . 2]" 153 . 1 34 ARG N 1 34 ARG CA 1 34 ARG CB 1 34 ARG CG 150.00 -150.00 -175.63 163.42 -164.20 . . 0 "[ . 1 . 2]" 154 . 1 35 SER N 1 35 SER CA 1 35 SER CB 1 35 SER OG -90.00 -30.00 -57.10 -59.70 -54.62 . . 0 "[ . 1 . 2]" 155 . 1 36 LEU N 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 150.00 -150.00 -174.97 -177.99 -170.24 . . 0 "[ . 1 . 2]" 156 . 1 37 THR N 1 37 THR CA 1 37 THR CB 1 37 THR OG1 30.00 90.00 47.81 48.68 48.47 . . 0 "[ . 1 . 2]" 157 . 1 39 ASP N 1 39 ASP CA 1 39 ASP CB 1 39 ASP CG 150.00 -150.00 -164.81 -161.69 -162.95 . . 0 "[ . 1 . 2]" 158 . 1 40 TRP N 1 40 TRP CA 1 40 TRP CB 1 40 TRP CG -90.00 -30.00 -62.33 -69.02 -57.16 . . 0 "[ . 1 . 2]" 159 . 1 41 ILE N 1 41 ILE CA 1 41 ILE CB 1 41 ILE CG1 -90.00 -30.00 -74.55 -84.88 -68.58 . . 0 "[ . 1 . 2]" 160 . 1 43 PHE N 1 43 PHE CA 1 43 PHE CB 1 43 PHE CG 30.00 90.00 66.62 63.99 70.00 . . 0 "[ . 1 . 2]" 161 . 1 44 LYS N 1 44 LYS CA 1 44 LYS CB 1 44 LYS CG 150.00 -150.00 -164.39 -172.25 -155.71 . . 0 "[ . 1 . 2]" 162 . 1 45 GLN N 1 45 GLN CA 1 45 GLN CB 1 45 GLN CG -90.00 -30.00 -56.17 -54.91 -55.80 . . 0 "[ . 1 . 2]" 163 . 1 46 LEU N 1 46 LEU CA 1 46 LEU CB 1 46 LEU CG -90.00 -30.00 -70.44 -72.31 -68.77 . . 0 "[ . 1 . 2]" 164 . 1 48 TYR N 1 48 TYR CA 1 48 TYR CB 1 48 TYR CG -90.00 -30.00 -54.06 -52.86 -53.44 . . 0 "[ . 1 . 2]" 165 . 1 50 THR N 1 50 THR CA 1 50 THR CB 1 50 THR OG1 30.00 90.00 51.10 49.53 52.73 . . 0 "[ . 1 . 2]" 166 . 1 51 LEU N 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG -90.00 -30.00 -76.53 -80.20 -71.89 . . 0 "[ . 1 . 2]" 167 . 1 52 GLU N 1 52 GLU CA 1 52 GLU CB 1 52 GLU CG 30.00 90.00 70.37 73.99 72.71 . . 0 "[ . 1 . 2]" 168 . 1 54 TYR N 1 54 TYR CA 1 54 TYR CB 1 54 TYR CG 150.00 -150.00 168.46 166.92 169.68 . . 0 "[ . 1 . 2]" 169 . 1 55 LEU N 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG -90.00 -30.00 -65.32 -67.55 -55.60 . . 0 "[ . 1 . 2]" 170 . 1 56 ARG N 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG -90.00 -30.00 -86.07 -85.95 -86.37 . . 0 "[ . 1 . 2]" 171 . 1 57 SER N 1 57 SER CA 1 57 SER CB 1 57 SER OG -90.00 -30.00 -56.56 -57.91 -55.84 . . 0 "[ . 1 . 2]" 172 . 1 58 VAL N 1 58 VAL CA 1 58 VAL CB 1 58 VAL CG1 30.00 90.00 53.17 53.45 53.24 . . 0 "[ . 1 . 2]" 173 . 1 61 VAL N 1 61 VAL CA 1 61 VAL CB 1 61 VAL CG1 150.00 -150.00 -169.94 -175.99 -166.79 . . 0 "[ . 1 . 2]" 174 . 1 62 VAL N 1 62 VAL CA 1 62 VAL CB 1 62 VAL CG1 150.00 -150.00 165.05 162.96 167.25 . . 0 "[ . 1 . 2]" 175 . 1 63 ARG N 1 63 ARG CA 1 63 ARG CB 1 63 ARG CG 150.00 -150.00 167.55 158.32 179.94 . . 0 "[ . 1 . 2]" 176 . 1 64 ILE N 1 64 ILE CA 1 64 ILE CB 1 64 ILE CG1 30.00 90.00 59.01 57.20 60.89 . . 0 "[ . 1 . 2]" 177 . 1 65 GLU N 1 65 GLU CA 1 65 GLU CB 1 65 GLU CG -90.00 -30.00 -65.90 -66.03 -66.65 . . 0 "[ . 1 . 2]" 178 . 1 67 SER N 1 67 SER CA 1 67 SER CB 1 67 SER OG 150.00 -150.00 -177.87 177.66 -162.62 . . 0 "[ . 1 . 2]" 179 . 1 68 ARG N 1 68 ARG CA 1 68 ARG CB 1 68 ARG CG 30.00 90.00 66.38 48.26 80.61 . . 0 "[ . 1 . 2]" 180 . 1 69 SER N 1 69 SER CA 1 69 SER CB 1 69 SER OG -90.00 -30.00 -47.89 -52.18 -41.53 . . 0 "[ . 1 . 2]" 181 . 1 71 GLU N 1 71 GLU CA 1 71 GLU CB 1 71 GLU CG -90.00 -30.00 -66.92 -66.63 -69.22 . . 0 "[ . 1 . 2]" 182 . 1 72 ILE N 1 72 ILE CA 1 72 ILE CB 1 72 ILE CG1 150.00 -150.00 170.44 168.32 167.04 . . 0 "[ . 1 . 2]" 183 . 1 73 VAL N 1 73 VAL CA 1 73 VAL CB 1 73 VAL CG1 150.00 -150.00 -166.78 -164.12 -164.16 . . 0 "[ . 1 . 2]" 184 . 1 74 CYS N 1 74 CYS CA 1 74 CYS CB 1 74 CYS SG -90.00 -30.00 -40.29 -39.50 -39.77 . . 0 "[ . 1 . 2]" 185 . 1 75 TYR N 1 75 TYR CA 1 75 TYR CB 1 75 TYR CG -90.00 -30.00 -67.03 -68.69 -65.89 . . 0 "[ . 1 . 2]" 186 . 1 2 HIS CA 1 2 HIS N 1 1 GLY C 1 1 GLY CA 170.00 -170.00 178.50 175.32 174.33 . . 0 "[ . 1 . 2]" 187 . 1 2 HIS CE1 1 2 HIS CD2 1 2 HIS NE2 1 2 HIS HE2 180.00 180.00 179.96 179.71 -179.78 0.29 16 0 "[ . 1 . 2]" stop_ save_
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