NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
406823 | 1xsa | 6330 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1xsa save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 212 _TA_constraint_stats_list.Viol_count 461 _TA_constraint_stats_list.Viol_total 12468.31 _TA_constraint_stats_list.Viol_max 2.94 _TA_constraint_stats_list.Viol_rms 0.27 _TA_constraint_stats_list.Viol_average_all_restraints 0.05 _TA_constraint_stats_list.Viol_average_violations_only 0.82 _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 6 MET C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -92.80 -57.60 -90.68 -93.07 -93.25 0.75 1 0 "[ . 1 . 2 . 3 ]" 2 . 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 LEU N 116.20 179.80 133.55 116.53 150.88 . . 0 "[ . 1 . 2 . 3 ]" 3 . 1 8 LEU C 1 9 ARG N 1 9 ARG CA 1 9 ARG C -127.70 -76.30 -119.01 -122.98 -124.56 0.36 32 0 "[ . 1 . 2 . 3 ]" 4 . 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 ALA N 92.40 171.40 122.05 100.24 132.34 . . 0 "[ . 1 . 2 . 3 ]" 5 . 1 9 ARG C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -163.00 -88.80 -110.21 -124.62 -87.57 1.23 21 0 "[ . 1 . 2 . 3 ]" 6 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 CYS N 108.40 -174.60 170.33 171.45 170.56 . . 0 "[ . 1 . 2 . 3 ]" 7 . 1 10 ALA C 1 11 CYS N 1 11 CYS CA 1 11 CYS C -143.70 -90.90 -141.22 -142.22 -142.80 0.87 32 0 "[ . 1 . 2 . 3 ]" 8 . 1 11 CYS N 1 11 CYS CA 1 11 CYS C 1 12 GLY N 125.40 176.20 142.26 123.70 153.47 1.70 16 0 "[ . 1 . 2 . 3 ]" 9 . 1 12 GLY C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -171.20 -74.60 -118.68 -115.19 -115.81 . . 0 "[ . 1 . 2 . 3 ]" 10 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 ILE N 114.20 172.20 123.78 126.99 125.97 1.87 24 0 "[ . 1 . 2 . 3 ]" 11 . 1 14 ILE C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -146.60 -68.00 -82.75 -77.08 -77.81 . . 0 "[ . 1 . 2 . 3 ]" 12 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 PHE N 115.50 151.70 135.32 134.89 134.81 . . 0 "[ . 1 . 2 . 3 ]" 13 . 1 15 ILE C 1 16 PHE N 1 16 PHE CA 1 16 PHE C -155.00 -86.00 -153.09 -155.82 -145.93 0.82 27 0 "[ . 1 . 2 . 3 ]" 14 . 1 16 PHE N 1 16 PHE CA 1 16 PHE C 1 17 ARG N 106.40 177.40 154.68 152.93 152.27 . . 0 "[ . 1 . 2 . 3 ]" 15 . 1 16 PHE C 1 17 ARG N 1 17 ARG CA 1 17 ARG C -152.10 -84.90 -127.21 -132.71 -113.07 . . 0 "[ . 1 . 2 . 3 ]" 16 . 1 17 ARG N 1 17 ARG CA 1 17 ARG C 1 18 ARG N 100.50 175.30 130.44 130.94 130.37 . . 0 "[ . 1 . 2 . 3 ]" 17 . 1 28 ALA C 1 29 ILE N 1 29 ILE CA 1 29 ILE C -145.60 -62.60 -100.31 -119.35 -76.79 . . 0 "[ . 1 . 2 . 3 ]" 18 . 1 29 ILE N 1 29 ILE CA 1 29 ILE C 1 30 GLU N 95.50 -175.10 134.37 135.53 134.85 . . 0 "[ . 1 . 2 . 3 ]" 19 . 1 29 ILE C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -162.60 -90.00 -133.91 -139.54 -129.76 . . 0 "[ . 1 . 2 . 3 ]" 20 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 PHE N 112.90 168.90 157.24 149.06 162.57 . . 0 "[ . 1 . 2 . 3 ]" 21 . 1 30 GLU C 1 31 PHE N 1 31 PHE CA 1 31 PHE C -125.90 -81.10 -110.33 -110.06 -110.14 . . 0 "[ . 1 . 2 . 3 ]" 22 . 1 31 PHE N 1 31 PHE CA 1 31 PHE C 1 32 LEU N 94.70 145.70 144.23 146.06 145.79 0.67 29 0 "[ . 1 . 2 . 3 ]" 23 . 1 31 PHE C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -119.00 -55.20 -105.62 -109.87 -101.04 . . 0 "[ . 1 . 2 . 3 ]" 24 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 LEU N 107.60 155.00 109.68 112.73 111.75 1.84 24 0 "[ . 1 . 2 . 3 ]" 25 . 1 32 LEU C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -168.40 -49.60 -111.05 -117.47 -106.33 . . 0 "[ . 1 . 2 . 3 ]" 26 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 LEU N 83.00 -171.00 163.22 160.38 157.80 . . 0 "[ . 1 . 2 . 3 ]" 27 . 1 33 LEU C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -132.70 -75.50 -124.77 -130.91 -118.12 . . 0 "[ . 1 . 2 . 3 ]" 28 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 GLN N 94.20 178.20 136.80 132.42 140.15 . . 0 "[ . 1 . 2 . 3 ]" 29 . 1 34 LEU C 1 35 GLN N 1 35 GLN CA 1 35 GLN C -114.80 -61.80 -103.37 -108.05 -99.14 . . 0 "[ . 1 . 2 . 3 ]" 30 . 1 35 GLN N 1 35 GLN CA 1 35 GLN C 1 36 ALA N 71.70 -161.90 109.43 112.85 112.10 . . 0 "[ . 1 . 2 . 3 ]" 31 . 1 42 HIS C 1 43 TRP N 1 43 TRP CA 1 43 TRP C -152.40 -70.80 -95.82 -111.28 -87.58 . . 0 "[ . 1 . 2 . 3 ]" 32 . 1 43 TRP N 1 43 TRP CA 1 43 TRP C 1 44 THR N 105.00 173.80 138.98 138.17 137.51 . . 0 "[ . 1 . 2 . 3 ]" 33 . 1 43 TRP C 1 44 THR N 1 44 THR CA 1 44 THR C -167.20 -65.80 -166.64 -167.47 -167.77 1.16 6 0 "[ . 1 . 2 . 3 ]" 34 . 1 44 THR N 1 44 THR CA 1 44 THR C 1 45 PRO N 119.10 170.50 150.18 140.87 166.07 . . 0 "[ . 1 . 2 . 3 ]" 35 . 1 46 PRO N 1 46 PRO CA 1 46 PRO C 1 47 LYS N 93.50 170.90 100.19 110.41 103.90 1.55 14 0 "[ . 1 . 2 . 3 ]" 36 . 1 46 PRO C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -162.00 -67.80 -145.23 -163.48 -127.86 1.48 2 0 "[ . 1 . 2 . 3 ]" 37 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 GLY N 108.20 155.80 139.07 122.09 149.56 . . 0 "[ . 1 . 2 . 3 ]" 38 . 1 56 ASP C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -75.20 -56.00 -69.32 -75.41 -64.12 0.21 26 0 "[ . 1 . 2 . 3 ]" 39 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 GLU N -54.30 -20.90 -42.41 -46.12 -40.64 . . 0 "[ . 1 . 2 . 3 ]" 40 . 1 57 LEU C 1 58 GLU N 1 58 GLU CA 1 58 GLU C -82.90 -45.50 -54.48 -54.25 -54.41 . . 0 "[ . 1 . 2 . 3 ]" 41 . 1 58 GLU N 1 58 GLU CA 1 58 GLU C 1 59 THR N -65.90 -16.70 -34.39 -35.48 -35.84 . . 0 "[ . 1 . 2 . 3 ]" 42 . 1 58 GLU C 1 59 THR N 1 59 THR CA 1 59 THR C -84.80 -48.60 -66.47 -65.06 -65.53 . . 0 "[ . 1 . 2 . 3 ]" 43 . 1 59 THR N 1 59 THR CA 1 59 THR C 1 60 ALA N -57.20 -28.40 -43.87 -48.80 -41.61 . . 0 "[ . 1 . 2 . 3 ]" 44 . 1 59 THR C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -69.20 -52.80 -62.71 -62.76 -63.05 . . 0 "[ . 1 . 2 . 3 ]" 45 . 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 LEU N -62.70 -28.50 -45.21 -49.96 -41.97 . . 0 "[ . 1 . 2 . 3 ]" 46 . 1 60 ALA C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -77.30 -53.70 -62.66 -62.26 -62.50 . . 0 "[ . 1 . 2 . 3 ]" 47 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 ARG N -48.40 -29.40 -36.60 -38.53 -34.52 . . 0 "[ . 1 . 2 . 3 ]" 48 . 1 61 LEU C 1 62 ARG N 1 62 ARG CA 1 62 ARG C -91.20 -43.60 -63.00 -65.20 -60.12 . . 0 "[ . 1 . 2 . 3 ]" 49 . 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 ALA N -55.10 -16.90 -49.30 -49.03 -49.45 . . 0 "[ . 1 . 2 . 3 ]" 50 . 1 62 ARG C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -72.30 -60.70 -70.92 -73.46 -67.01 1.16 25 0 "[ . 1 . 2 . 3 ]" 51 . 1 63 ALA N 1 63 ALA CA 1 63 ALA C 1 64 THR N -50.20 -20.80 -33.83 -38.07 -40.60 . . 0 "[ . 1 . 2 . 3 ]" 52 . 1 63 ALA C 1 64 THR N 1 64 THR CA 1 64 THR C -78.20 -53.80 -53.40 -53.89 -54.15 1.99 29 0 "[ . 1 . 2 . 3 ]" 53 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 GLN N -55.60 -20.60 -47.62 -46.55 -46.97 . . 0 "[ . 1 . 2 . 3 ]" 54 . 1 64 THR C 1 65 GLN N 1 65 GLN CA 1 65 GLN C -74.60 -53.40 -76.45 -75.86 -75.88 2.94 31 0 "[ . 1 . 2 . 3 ]" 55 . 1 65 GLN N 1 65 GLN CA 1 65 GLN C 1 66 GLU N -59.10 -29.70 -46.99 -58.75 -33.26 . . 0 "[ . 1 . 2 . 3 ]" 56 . 1 65 GLN C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -93.00 -46.00 -68.75 -71.09 -74.77 . . 0 "[ . 1 . 2 . 3 ]" 57 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 GLU N -59.50 -6.90 -44.03 -44.99 -45.91 . . 0 "[ . 1 . 2 . 3 ]" 58 . 1 70 ILE C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -139.10 -35.30 -91.42 -99.99 -78.82 . . 0 "[ . 1 . 2 . 3 ]" 59 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 ALA N 56.20 -173.20 162.21 163.67 163.32 . . 0 "[ . 1 . 2 . 3 ]" 60 . 1 71 GLU C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -82.40 -44.80 -64.50 -62.61 -63.35 . . 0 "[ . 1 . 2 . 3 ]" 61 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 GLY N -51.10 -8.50 -25.04 -24.29 -24.60 . . 0 "[ . 1 . 2 . 3 ]" 62 . 1 74 GLN C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -157.40 -68.80 -114.85 -116.00 -116.94 . . 0 "[ . 1 . 2 . 3 ]" 63 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 THR N 103.80 170.60 147.58 151.37 150.55 . . 0 "[ . 1 . 2 . 3 ]" 64 . 1 75 LEU C 1 76 THR N 1 76 THR CA 1 76 THR C -132.40 -78.80 -117.31 -122.32 -109.66 . . 0 "[ . 1 . 2 . 3 ]" 65 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 ILE N 103.80 144.00 120.14 114.29 113.12 . . 0 "[ . 1 . 2 . 3 ]" 66 . 1 82 LYS C 1 83 ARG N 1 83 ARG CA 1 83 ARG C 179.70 -77.30 -149.20 -149.13 -149.78 . . 0 "[ . 1 . 2 . 3 ]" 67 . 1 83 ARG N 1 83 ARG CA 1 83 ARG C 1 84 GLU N 124.70 172.70 167.74 160.30 174.96 2.26 4 0 "[ . 1 . 2 . 3 ]" 68 . 1 83 ARG C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -144.10 -79.90 -83.22 -93.10 -78.87 1.03 1 0 "[ . 1 . 2 . 3 ]" 69 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 LEU N 86.50 163.50 100.72 91.36 109.80 . . 0 "[ . 1 . 2 . 3 ]" 70 . 1 84 GLU C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -142.60 -49.00 -70.24 -58.49 -61.01 . . 0 "[ . 1 . 2 . 3 ]" 71 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 ASN N 102.40 160.40 128.65 124.11 132.09 . . 0 "[ . 1 . 2 . 3 ]" 72 . 1 85 LEU C 1 86 ASN N 1 86 ASN CA 1 86 ASN C -172.60 -55.20 -129.16 -128.90 -129.08 . . 0 "[ . 1 . 2 . 3 ]" 73 . 1 86 ASN N 1 86 ASN CA 1 86 ASN C 1 87 TYR N 100.30 178.50 129.48 132.96 131.76 . . 0 "[ . 1 . 2 . 3 ]" 74 . 1 95 THR C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -158.80 -108.00 -137.83 -144.97 -131.33 . . 0 "[ . 1 . 2 . 3 ]" 75 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 ILE N 118.90 179.30 133.48 128.32 138.14 . . 0 "[ . 1 . 2 . 3 ]" 76 . 1 96 VAL C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -146.10 -87.90 -107.74 -108.81 -108.89 . . 0 "[ . 1 . 2 . 3 ]" 77 . 1 97 ILE N 1 97 ILE CA 1 97 ILE C 1 98 TYR N 98.10 149.90 134.02 127.98 141.03 . . 0 "[ . 1 . 2 . 3 ]" 78 . 1 97 ILE C 1 98 TYR N 1 98 TYR CA 1 98 TYR C -166.20 -75.00 -117.31 -122.12 -126.01 . . 0 "[ . 1 . 2 . 3 ]" 79 . 1 98 TYR N 1 98 TYR CA 1 98 TYR C 1 99 TRP N 85.40 174.20 127.81 126.91 126.13 . . 0 "[ . 1 . 2 . 3 ]" 80 . 1 98 TYR C 1 99 TRP N 1 99 TRP CA 1 99 TRP C -151.50 -76.10 -114.76 -113.24 -113.26 . . 0 "[ . 1 . 2 . 3 ]" 81 . 1 99 TRP N 1 99 TRP CA 1 99 TRP C 1 100 LEU N 93.00 173.20 156.63 157.24 156.49 . . 0 "[ . 1 . 2 . 3 ]" 82 . 1 99 TRP C 1 100 LEU N 1 100 LEU CA 1 100 LEU C -145.80 -60.60 -85.40 -85.07 -85.69 . . 0 "[ . 1 . 2 . 3 ]" 83 . 1 100 LEU N 1 100 LEU CA 1 100 LEU C 1 101 ALA N 98.00 160.00 133.72 128.12 139.77 . . 0 "[ . 1 . 2 . 3 ]" 84 . 1 100 LEU C 1 101 ALA N 1 101 ALA CA 1 101 ALA C 175.30 -97.50 -141.71 -142.74 -143.24 . . 0 "[ . 1 . 2 . 3 ]" 85 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 GLU N 130.20 174.80 143.57 139.26 148.89 . . 0 "[ . 1 . 2 . 3 ]" 86 . 1 109 GLU C 1 110 ILE N 1 110 ILE CA 1 110 ILE C -135.00 -61.80 -77.15 -74.02 -74.54 . . 0 "[ . 1 . 2 . 3 ]" 87 . 1 110 ILE N 1 110 ILE CA 1 110 ILE C 1 111 ARG N 69.50 -154.70 90.51 80.72 99.62 . . 0 "[ . 1 . 2 . 3 ]" 88 . 1 110 ILE C 1 111 ARG N 1 111 ARG CA 1 111 ARG C -154.40 -37.20 -89.07 -74.82 -80.00 . . 0 "[ . 1 . 2 . 3 ]" 89 . 1 111 ARG N 1 111 ARG CA 1 111 ARG C 1 112 LEU N 76.00 173.40 125.62 124.46 123.88 . . 0 "[ . 1 . 2 . 3 ]" 90 . 1 111 ARG C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -128.10 -69.30 -100.77 -95.92 -96.40 . . 0 "[ . 1 . 2 . 3 ]" 91 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 SER N 94.10 159.30 105.04 108.62 108.32 0.19 3 0 "[ . 1 . 2 . 3 ]" 92 . 1 112 LEU C 1 113 SER N 1 113 SER CA 1 113 SER C -156.10 -48.50 -69.35 -70.53 -71.02 . . 0 "[ . 1 . 2 . 3 ]" 93 . 1 113 SER N 1 113 SER CA 1 113 SER C 1 114 HIS N 137.80 -163.60 168.82 168.13 167.01 . . 0 "[ . 1 . 2 . 3 ]" 94 . 1 116 HIS C 1 117 GLN N 1 117 GLN CA 1 117 GLN C -157.30 -60.10 -126.88 -150.10 -116.38 . . 0 "[ . 1 . 2 . 3 ]" 95 . 1 117 GLN C 1 118 ALA N 1 118 ALA CA 1 118 ALA C 160.00 -38.00 -149.18 -172.53 -138.93 . . 0 "[ . 1 . 2 . 3 ]" 96 . 1 118 ALA N 1 118 ALA CA 1 118 ALA C 1 119 TYR N 95.20 -176.60 133.74 124.04 137.78 . . 0 "[ . 1 . 2 . 3 ]" 97 . 1 118 ALA C 1 119 TYR N 1 119 TYR CA 1 119 TYR C -152.10 -81.10 -152.20 -153.72 -144.86 1.62 27 0 "[ . 1 . 2 . 3 ]" 98 . 1 119 TYR N 1 119 TYR CA 1 119 TYR C 1 120 ARG N 115.70 168.90 138.07 130.55 146.14 . . 0 "[ . 1 . 2 . 3 ]" 99 . 1 119 TYR C 1 120 ARG N 1 120 ARG CA 1 120 ARG C 179.40 -90.00 -141.44 -131.31 -136.02 . . 0 "[ . 1 . 2 . 3 ]" 100 . 1 120 ARG N 1 120 ARG CA 1 120 ARG C 1 121 TRP N 96.60 -168.20 153.07 156.11 154.88 . . 0 "[ . 1 . 2 . 3 ]" 101 . 1 120 ARG C 1 121 TRP N 1 121 TRP CA 1 121 TRP C -123.90 -86.30 -103.97 -109.10 -101.21 . . 0 "[ . 1 . 2 . 3 ]" 102 . 1 121 TRP N 1 121 TRP CA 1 121 TRP C 1 122 LEU N 87.60 176.20 105.80 97.74 112.13 . . 0 "[ . 1 . 2 . 3 ]" 103 . 1 121 TRP C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -167.70 -71.70 -126.40 -122.90 -123.88 . . 0 "[ . 1 . 2 . 3 ]" 104 . 1 122 LEU N 1 122 LEU CA 1 122 LEU C 1 123 GLY N 103.10 -177.50 174.43 172.00 171.26 . . 0 "[ . 1 . 2 . 3 ]" 105 . 1 124 LEU C 1 125 GLU N 1 125 GLU CA 1 125 GLU C -76.60 -57.20 -59.15 -58.67 -58.78 0.07 27 0 "[ . 1 . 2 . 3 ]" 106 . 1 125 GLU N 1 125 GLU CA 1 125 GLU C 1 126 GLU N -55.40 -19.80 -52.71 -52.88 -53.35 0.61 29 0 "[ . 1 . 2 . 3 ]" 107 . 1 126 GLU C 1 127 ALA N 1 127 ALA CA 1 127 ALA C -74.60 -61.80 -69.55 -70.17 -70.47 . . 0 "[ . 1 . 2 . 3 ]" 108 . 1 127 ALA N 1 127 ALA CA 1 127 ALA C 1 128 CYS N -58.50 -15.90 -29.64 -27.45 -27.59 . . 0 "[ . 1 . 2 . 3 ]" 109 . 1 127 ALA C 1 128 CYS N 1 128 CYS CA 1 128 CYS C -75.80 -55.00 -68.80 -71.60 -64.61 . . 0 "[ . 1 . 2 . 3 ]" 110 . 1 128 CYS N 1 128 CYS CA 1 128 CYS C 1 129 GLN N -55.60 -22.40 -40.91 -41.82 -42.22 . . 0 "[ . 1 . 2 . 3 ]" 111 . 1 128 CYS C 1 129 GLN N 1 129 GLN CA 1 129 GLN C -80.90 -55.10 -66.65 -71.75 -55.85 . . 0 "[ . 1 . 2 . 3 ]" 112 . 1 129 GLN N 1 129 GLN CA 1 129 GLN C 1 130 LEU N -55.90 -14.70 -48.14 -53.14 -42.84 . . 0 "[ . 1 . 2 . 3 ]" 113 . 1 129 GLN C 1 130 LEU N 1 130 LEU CA 1 130 LEU C -82.00 -45.80 -62.86 -59.44 -60.61 . . 0 "[ . 1 . 2 . 3 ]" 114 . 1 130 LEU N 1 130 LEU CA 1 130 LEU C 1 131 ALA N -56.00 -28.20 -44.33 -43.25 -44.12 . . 0 "[ . 1 . 2 . 3 ]" 115 . 1 130 LEU C 1 131 ALA N 1 131 ALA CA 1 131 ALA C -76.70 -52.70 -59.61 -65.55 -54.39 . . 0 "[ . 1 . 2 . 3 ]" 116 . 1 130 LEU C 1 131 ALA N 1 131 ALA CA 1 131 ALA C -66.20 -9.40 -59.61 -65.55 -54.39 . . 0 "[ . 1 . 2 . 3 ]" 117 . 1 131 ALA N 1 131 ALA CA 1 131 ALA C 1 132 GLN N -68.00 -8.00 -51.94 -63.63 -37.86 . . 0 "[ . 1 . 2 . 3 ]" 118 . 1 132 GLN N 1 132 GLN CA 1 132 GLN C 1 133 PHE N -56.50 -3.30 -6.36 -5.65 -6.53 1.81 30 0 "[ . 1 . 2 . 3 ]" 119 . 1 133 PHE C 1 134 LYS N 1 134 LYS CA 1 134 LYS C -70.80 -54.80 -58.61 -56.45 -56.79 . . 0 "[ . 1 . 2 . 3 ]" 120 . 1 134 LYS N 1 134 LYS CA 1 134 LYS C 1 135 GLU N -53.10 -24.50 -45.92 -54.50 -40.95 1.40 33 0 "[ . 1 . 2 . 3 ]" 121 . 1 134 LYS C 1 135 GLU N 1 135 GLU CA 1 135 GLU C -76.10 -49.70 -64.32 -65.85 -66.08 . . 0 "[ . 1 . 2 . 3 ]" 122 . 1 135 GLU N 1 135 GLU CA 1 135 GLU C 1 136 MET N -59.10 -24.30 -44.41 -52.11 -29.43 . . 0 "[ . 1 . 2 . 3 ]" 123 . 1 135 GLU C 1 136 MET N 1 136 MET CA 1 136 MET C -72.40 -57.60 -62.35 -60.41 -60.93 0.00 26 0 "[ . 1 . 2 . 3 ]" 124 . 1 136 MET N 1 136 MET CA 1 136 MET C 1 137 LYS N -51.60 -27.20 -46.90 -51.23 -42.57 . . 0 "[ . 1 . 2 . 3 ]" 125 . 1 136 MET C 1 137 LYS N 1 137 LYS CA 1 137 LYS C -75.20 -52.40 -57.57 -57.59 -58.04 . . 0 "[ . 1 . 2 . 3 ]" 126 . 1 137 LYS N 1 137 LYS CA 1 137 LYS C 1 138 ALA N -58.80 -28.80 -46.19 -52.64 -42.59 . . 0 "[ . 1 . 2 . 3 ]" 127 . 1 137 LYS C 1 138 ALA N 1 138 ALA CA 1 138 ALA C -72.20 -57.20 -71.19 -72.29 -72.56 1.37 19 0 "[ . 1 . 2 . 3 ]" 128 . 1 138 ALA N 1 138 ALA CA 1 138 ALA C 1 139 ALA N -50.40 -31.20 -41.37 -44.84 -46.40 . . 0 "[ . 1 . 2 . 3 ]" 129 . 1 138 ALA C 1 139 ALA N 1 139 ALA CA 1 139 ALA C -77.90 -56.50 -57.18 -60.20 -56.17 0.33 10 0 "[ . 1 . 2 . 3 ]" 130 . 1 139 ALA N 1 139 ALA CA 1 139 ALA C 1 140 LEU N -54.70 -23.10 -43.06 -41.66 -41.91 . . 0 "[ . 1 . 2 . 3 ]" 131 . 1 139 ALA C 1 140 LEU N 1 140 LEU CA 1 140 LEU C -75.20 -57.80 -70.56 -75.34 -64.95 0.14 18 0 "[ . 1 . 2 . 3 ]" 132 . 1 140 LEU N 1 140 LEU CA 1 140 LEU C 1 141 GLN N -46.20 -32.80 -41.94 -46.06 -38.93 . . 0 "[ . 1 . 2 . 3 ]" 133 . 1 140 LEU C 1 141 GLN N 1 141 GLN CA 1 141 GLN C -72.50 -55.90 -69.69 -66.75 -67.83 0.34 13 0 "[ . 1 . 2 . 3 ]" 134 . 1 141 GLN N 1 141 GLN CA 1 141 GLN C 1 142 GLU N -49.70 -30.30 -48.53 -50.30 -46.26 0.60 17 0 "[ . 1 . 2 . 3 ]" 135 . 1 141 GLN C 1 142 GLU N 1 142 GLU CA 1 142 GLU C -100.00 -42.00 -64.66 -66.86 -61.08 . . 0 "[ . 1 . 2 . 3 ]" 136 . 1 142 GLU N 1 142 GLU CA 1 142 GLU C 1 143 GLY N -51.50 -26.10 -36.40 -35.53 -35.79 . . 0 "[ . 1 . 2 . 3 ]" 137 . 1 143 GLY C 1 144 HIS N 1 144 HIS CA 1 144 HIS C -74.30 -49.30 -61.47 -60.84 -61.36 . . 0 "[ . 1 . 2 . 3 ]" 138 . 1 144 HIS N 1 144 HIS CA 1 144 HIS C 1 145 GLN N -55.40 -33.20 -36.22 -39.18 -32.98 0.22 16 0 "[ . 1 . 2 . 3 ]" 139 . 1 144 HIS C 1 145 GLN N 1 145 GLN CA 1 145 GLN C -75.10 -53.50 -55.80 -54.17 -54.52 0.15 19 0 "[ . 1 . 2 . 3 ]" 140 . 1 145 GLN N 1 145 GLN CA 1 145 GLN C 1 146 PHE N -58.50 -30.30 -48.37 -47.51 -48.14 . . 0 "[ . 1 . 2 . 3 ]" 141 . 1 145 GLN C 1 146 PHE N 1 146 PHE CA 1 146 PHE C -74.90 -52.30 -63.42 -68.88 -60.00 . . 0 "[ . 1 . 2 . 3 ]" 142 . 1 146 PHE N 1 146 PHE CA 1 146 PHE C 1 147 LEU N -60.20 -28.60 -45.79 -48.71 -42.36 . . 0 "[ . 1 . 2 . 3 ]" 143 . 1 146 PHE C 1 147 LEU N 1 147 LEU CA 1 147 LEU C -79.90 -48.10 -52.92 -52.31 -52.66 . . 0 "[ . 1 . 2 . 3 ]" 144 . 1 147 LEU N 1 147 LEU CA 1 147 LEU C 1 148 CYS N -63.00 -13.40 -41.56 -47.05 -33.72 . . 0 "[ . 1 . 2 . 3 ]" 145 . 1 147 LEU C 1 148 CYS N 1 148 CYS CA 1 148 CYS C -92.20 -48.40 -59.31 -65.31 -47.31 1.09 27 0 "[ . 1 . 2 . 3 ]" 146 . 1 148 CYS N 1 148 CYS CA 1 148 CYS C 1 149 SER N -51.80 -12.60 -29.17 -30.42 -31.26 . . 0 "[ . 1 . 2 . 3 ]" 147 . 1 11 CYS C 1 12 GLY N 1 12 GLY CA 1 12 GLY C -180.00 -100.00 -136.73 -143.07 -143.64 . . 0 "[ . 1 . 2 . 3 ]" 148 . 1 12 GLY N 1 12 GLY CA 1 12 GLY C 1 13 LEU N 141.00 177.00 173.47 166.36 177.62 0.62 31 0 "[ . 1 . 2 . 3 ]" 149 . 1 13 LEU C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -147.00 -63.00 -71.21 -76.14 -66.98 . . 0 "[ . 1 . 2 . 3 ]" 150 . 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 ILE N 90.00 154.00 90.94 88.29 88.19 2.58 10 0 "[ . 1 . 2 . 3 ]" 151 . 1 17 ARG C 1 18 ARG N 1 18 ARG CA 1 18 ARG C -117.00 -65.00 -100.17 -99.85 -100.32 . . 0 "[ . 1 . 2 . 3 ]" 152 . 1 18 ARG N 1 18 ARG CA 1 18 ARG C 1 19 CYS N 101.00 177.00 133.49 138.35 137.12 . . 0 "[ . 1 . 2 . 3 ]" 153 . 1 22 PRO N 1 22 PRO CA 1 22 PRO C 1 23 LYS N 84.00 176.00 140.73 150.67 146.46 . . 0 "[ . 1 . 2 . 3 ]" 154 . 1 45 PRO N 1 45 PRO CA 1 45 PRO C 1 46 PRO N 122.00 162.00 161.03 162.55 162.52 1.99 27 0 "[ . 1 . 2 . 3 ]" 155 . 1 55 ASP C 1 56 ASP N 1 56 ASP CA 1 56 ASP C -75.00 -43.00 -66.66 -73.66 -60.71 . . 0 "[ . 1 . 2 . 3 ]" 156 . 1 56 ASP N 1 56 ASP CA 1 56 ASP C 1 57 LEU N -65.00 -21.00 -60.40 -60.02 -60.65 0.54 30 0 "[ . 1 . 2 . 3 ]" 157 . 1 67 GLU C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -128.00 -68.00 -108.67 -88.49 -97.68 . . 0 "[ . 1 . 2 . 3 ]" 158 . 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 GLY N -28.00 12.00 -16.85 -18.51 -20.36 . . 0 "[ . 1 . 2 . 3 ]" 159 . 1 68 ALA C 1 69 GLY N 1 69 GLY CA 1 69 GLY C 60.00 104.00 92.06 77.61 102.34 . . 0 "[ . 1 . 2 . 3 ]" 160 . 1 69 GLY N 1 69 GLY CA 1 69 GLY C 1 70 ILE N -3.00 33.00 9.92 16.15 14.76 . . 0 "[ . 1 . 2 . 3 ]" 161 . 1 69 GLY C 1 70 ILE N 1 70 ILE CA 1 70 ILE C -118.00 -50.00 -101.92 -101.45 -102.38 . . 0 "[ . 1 . 2 . 3 ]" 162 . 1 70 ILE N 1 70 ILE CA 1 70 ILE C 1 71 GLU N 89.00 -167.00 124.71 124.93 124.30 . . 0 "[ . 1 . 2 . 3 ]" 163 . 1 72 ALA C 1 73 GLY N 1 73 GLY CA 1 73 GLY C -111.00 -35.00 -53.65 -52.24 -52.64 . . 0 "[ . 1 . 2 . 3 ]" 164 . 1 73 GLY N 1 73 GLY CA 1 73 GLY C 1 74 GLN N -50.00 2.00 -34.07 -34.82 -35.12 . . 0 "[ . 1 . 2 . 3 ]" 165 . 1 80 GLY C 1 81 PHE N 1 81 PHE CA 1 81 PHE C -136.00 -80.00 -106.43 -112.27 -115.67 . . 0 "[ . 1 . 2 . 3 ]" 166 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 LYS N 79.00 163.00 119.57 110.75 134.43 . . 0 "[ . 1 . 2 . 3 ]" 167 . 1 81 PHE C 1 82 LYS N 1 82 LYS CA 1 82 LYS C 166.00 -46.00 -152.88 -159.42 -173.82 . . 0 "[ . 1 . 2 . 3 ]" 168 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 ARG N 100.00 180.00 116.69 110.05 138.29 . . 0 "[ . 1 . 2 . 3 ]" 169 . 1 86 ASN C 1 87 TYR N 1 87 TYR CA 1 87 TYR C -175.00 -71.00 -150.67 -159.16 -141.65 . . 0 "[ . 1 . 2 . 3 ]" 170 . 1 87 TYR N 1 87 TYR CA 1 87 TYR C 1 88 VAL N 98.00 170.00 163.87 162.72 161.13 . . 0 "[ . 1 . 2 . 3 ]" 171 . 1 101 ALA C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -129.00 -69.00 -123.90 -122.90 -123.58 . . 0 "[ . 1 . 2 . 3 ]" 172 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 VAL N 78.00 178.00 136.19 133.40 133.06 . . 0 "[ . 1 . 2 . 3 ]" 173 . 1 107 ASP C 1 108 VAL N 1 108 VAL CA 1 108 VAL C -146.00 -42.00 -42.42 -42.96 -43.36 1.08 26 0 "[ . 1 . 2 . 3 ]" 174 . 1 108 VAL N 1 108 VAL CA 1 108 VAL C 1 109 GLU N 90.00 -178.00 149.62 146.94 145.78 . . 0 "[ . 1 . 2 . 3 ]" 175 . 1 108 VAL C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -152.00 -40.00 -94.89 -103.88 -89.79 . . 0 "[ . 1 . 2 . 3 ]" 176 . 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 ILE N 80.00 176.00 106.84 102.77 108.68 . . 0 "[ . 1 . 2 . 3 ]" 177 . 1 123 GLY C 1 124 LEU N 1 124 LEU CA 1 124 LEU C -76.00 -44.00 -57.85 -58.03 -58.40 . . 0 "[ . 1 . 2 . 3 ]" 178 . 1 124 LEU N 1 124 LEU CA 1 124 LEU C 1 125 GLU N -56.00 -24.00 -48.95 -51.67 -46.16 . . 0 "[ . 1 . 2 . 3 ]" 179 . 1 125 GLU C 1 126 GLU N 1 126 GLU CA 1 126 GLU C -75.00 -59.00 -63.20 -61.49 -61.77 . . 0 "[ . 1 . 2 . 3 ]" 180 . 1 126 GLU N 1 126 GLU CA 1 126 GLU C 1 127 ALA N -60.00 -12.00 -34.88 -39.16 -32.57 . . 0 "[ . 1 . 2 . 3 ]" 181 . 1 18 ARG C 1 19 CYS N 1 19 CYS CA 1 19 CYS C -94.00 -58.00 -91.40 -90.85 -91.27 0.51 22 0 "[ . 1 . 2 . 3 ]" 182 . 1 19 CYS N 1 19 CYS CA 1 19 CYS C 1 20 LEU N 70.00 180.00 -179.55 176.92 -177.95 2.05 29 0 "[ . 1 . 2 . 3 ]" 183 . 1 19 CYS C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -119.00 -55.00 -57.63 -63.94 -53.95 1.05 29 0 "[ . 1 . 2 . 3 ]" 184 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 ILE N -48.00 -4.00 -41.70 -41.64 -42.86 1.02 5 0 "[ . 1 . 2 . 3 ]" 185 . 1 20 LEU C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -166.00 -54.00 -166.15 -166.90 -166.97 2.45 32 0 "[ . 1 . 2 . 3 ]" 186 . 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 PRO N 71.00 -177.00 163.80 164.88 164.43 . . 0 "[ . 1 . 2 . 3 ]" 187 . 1 25 ASP C 1 26 ASN N 1 26 ASN CA 1 26 ASN C -121.00 -81.00 -82.33 -108.52 -79.88 1.12 32 0 "[ . 1 . 2 . 3 ]" 188 . 1 26 ASN N 1 26 ASN CA 1 26 ASN C 1 27 ASN N -34.00 2.00 -8.22 -35.35 -3.62 1.35 27 0 "[ . 1 . 2 . 3 ]" 189 . 1 35 GLN C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -92.00 -52.00 -68.08 -69.16 -69.44 . . 0 "[ . 1 . 2 . 3 ]" 190 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 SER N 108.00 172.00 129.76 132.06 131.39 . . 0 "[ . 1 . 2 . 3 ]" 191 . 1 48 GLY C 1 49 HIS N 1 49 HIS CA 1 49 HIS C -144.00 -40.00 -73.88 -145.85 -61.55 1.85 20 0 "[ . 1 . 2 . 3 ]" 192 . 1 49 HIS N 1 49 HIS CA 1 49 HIS C 1 50 VAL N 78.00 174.00 164.56 159.38 170.82 . . 0 "[ . 1 . 2 . 3 ]" 193 . 1 54 GLU C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -150.00 -42.00 -108.43 -95.37 -100.15 . . 0 "[ . 1 . 2 . 3 ]" 194 . 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 ASP N 58.00 -146.00 175.84 177.25 176.75 . . 0 "[ . 1 . 2 . 3 ]" 195 . 1 76 THR C 1 77 ILE N 1 77 ILE CA 1 77 ILE C -146.00 -66.00 -76.13 -84.35 -66.10 . . 0 "[ . 1 . 2 . 3 ]" 196 . 1 77 ILE N 1 77 ILE CA 1 77 ILE C 1 78 ILE N 89.00 165.00 101.10 105.92 100.16 0.08 13 0 "[ . 1 . 2 . 3 ]" 197 . 1 102 GLU C 1 103 VAL N 1 103 VAL CA 1 103 VAL C -113.00 -69.00 -89.07 -94.63 -81.58 . . 0 "[ . 1 . 2 . 3 ]" 198 . 1 103 VAL N 1 103 VAL CA 1 103 VAL C 1 104 LYS N 57.00 -179.00 114.83 111.47 110.31 . . 0 "[ . 1 . 2 . 3 ]" 199 . 1 103 VAL C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -127.00 -39.00 -69.47 -68.35 -68.54 . . 0 "[ . 1 . 2 . 3 ]" 200 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 ASP N -51.00 -7.00 -7.80 -9.46 -6.81 0.19 27 0 "[ . 1 . 2 . 3 ]" 201 . 1 105 ASP C 1 106 TYR N 1 106 TYR CA 1 106 TYR C -90.00 -54.00 -56.40 -56.63 -56.88 0.21 2 0 "[ . 1 . 2 . 3 ]" 202 . 1 106 TYR N 1 106 TYR CA 1 106 TYR C 1 107 ASP N -36.00 -12.00 -29.49 -27.88 -28.51 . . 0 "[ . 1 . 2 . 3 ]" 203 . 1 106 TYR C 1 107 ASP N 1 107 ASP CA 1 107 ASP C -126.00 -78.00 -103.11 -101.48 -101.56 . . 0 "[ . 1 . 2 . 3 ]" 204 . 1 107 ASP N 1 107 ASP CA 1 107 ASP C 1 108 VAL N -71.00 49.00 23.14 17.12 28.34 . . 0 "[ . 1 . 2 . 3 ]" 205 . 1 113 SER C 1 114 HIS N 1 114 HIS CA 1 114 HIS C -95.00 -39.00 -43.14 -55.17 -38.56 0.44 9 0 "[ . 1 . 2 . 3 ]" 206 . 1 114 HIS N 1 114 HIS CA 1 114 HIS C 1 115 GLU N 78.00 166.00 91.41 75.08 99.26 2.92 32 0 "[ . 1 . 2 . 3 ]" 207 . 1 115 GLU C 1 116 HIS N 1 116 HIS CA 1 116 HIS C 157.00 -71.00 -120.15 -138.55 -109.96 . . 0 "[ . 1 . 2 . 3 ]" 208 . 1 116 HIS N 1 116 HIS CA 1 116 HIS C 1 117 GLN N 117.00 169.00 145.88 164.37 153.89 . . 0 "[ . 1 . 2 . 3 ]" 209 . 1 142 GLU C 1 143 GLY N 1 143 GLY CA 1 143 GLY C -75.00 -55.00 -62.63 -65.09 -60.07 . . 0 "[ . 1 . 2 . 3 ]" 210 . 1 143 GLY N 1 143 GLY CA 1 143 GLY C 1 144 HIS N -56.00 -12.00 -43.79 -50.89 -40.80 . . 0 "[ . 1 . 2 . 3 ]" 211 . 1 66 GLU C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -90.00 -30.00 -74.35 -83.71 -65.05 . . 0 "[ . 1 . 2 . 3 ]" 212 . 1 77 ILE C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -80.00 -40.00 -58.55 -62.18 -62.25 . . 0 "[ . 1 . 2 . 3 ]" stop_ save_
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