NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
569352 | 2mdt | 17298 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mdt save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 204 _TA_constraint_stats_list.Viol_count 309 _TA_constraint_stats_list.Viol_total 5395.08 _TA_constraint_stats_list.Viol_max 3.81 _TA_constraint_stats_list.Viol_rms 0.33 _TA_constraint_stats_list.Viol_average_all_restraints 0.07 _TA_constraint_stats_list.Viol_average_violations_only 0.87 _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 1 MET C 1 2 PHE N 1 2 PHE CA 1 2 PHE C -144.00 -88.00 -87.68 -89.51 -86.77 1.23 9 0 "[ . 1 . 2]" 2 . 1 2 PHE N 1 2 PHE CA 1 2 PHE C 1 3 ALA N 115.00 167.00 151.72 154.46 153.65 . . 0 "[ . 1 . 2]" 3 . 1 2 PHE C 1 3 ALA N 1 3 ALA CA 1 3 ALA C -148.90 -101.50 -132.66 -138.10 -126.50 . . 0 "[ . 1 . 2]" 4 . 1 3 ALA N 1 3 ALA CA 1 3 ALA C 1 4 VAL N 97.00 165.20 110.27 108.28 107.69 . . 0 "[ . 1 . 2]" 5 . 1 3 ALA C 1 4 VAL N 1 4 VAL CA 1 4 VAL C -137.30 -92.90 -93.39 -98.79 -91.85 1.05 19 0 "[ . 1 . 2]" 6 . 1 4 VAL N 1 4 VAL CA 1 4 VAL C 1 5 ILE N 103.10 143.10 130.98 126.20 134.57 . . 0 "[ . 1 . 2]" 7 . 1 4 VAL C 1 5 ILE N 1 5 ILE CA 1 5 ILE C -139.50 -79.30 -96.56 -95.98 -96.96 . . 0 "[ . 1 . 2]" 8 . 1 5 ILE N 1 5 ILE CA 1 5 ILE C 1 6 SER N 85.70 159.10 128.49 121.87 134.24 . . 0 "[ . 1 . 2]" 9 . 1 5 ILE C 1 6 SER N 1 6 SER CA 1 6 SER C -110.60 -47.80 -89.50 -94.57 -82.47 . . 0 "[ . 1 . 2]" 10 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 PRO N 88.40 175.20 147.99 152.22 149.82 . . 0 "[ . 1 . 2]" 11 . 1 6 SER C 1 7 PRO N 1 7 PRO CA 1 7 PRO C -83.00 -39.00 -53.14 -59.05 -38.84 0.16 11 0 "[ . 1 . 2]" 12 . 1 7 PRO N 1 7 PRO CA 1 7 PRO C 1 8 SER N -62.00 6.00 -23.04 -24.79 -26.29 . . 0 "[ . 1 . 2]" 13 . 1 7 PRO C 1 8 SER N 1 8 SER CA 1 8 SER C -101.00 -49.00 -66.52 -81.97 -51.78 . . 0 "[ . 1 . 2]" 14 . 1 8 SER N 1 8 SER CA 1 8 SER C 1 9 ALA N -51.00 13.00 -24.36 -47.36 -9.39 . . 0 "[ . 1 . 2]" 15 . 1 10 PHE C 1 11 GLY N 1 11 GLY CA 1 11 GLY C 61.00 117.00 88.61 79.81 117.14 0.14 19 0 "[ . 1 . 2]" 16 . 1 11 GLY N 1 11 GLY CA 1 11 GLY C 1 12 LYS N -33.00 31.00 -34.73 -36.28 -33.10 3.28 19 0 "[ . 1 . 2]" 17 . 1 12 LYS C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -77.50 -37.50 -57.41 -64.33 -67.71 . . 0 "[ . 1 . 2]" 18 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 LYS N -66.70 -25.10 -37.36 -27.32 -30.41 0.80 2 0 "[ . 1 . 2]" 19 . 1 13 LEU C 1 14 LYS N 1 14 LYS CA 1 14 LYS C -79.80 -39.80 -68.15 -79.52 -58.74 . . 0 "[ . 1 . 2]" 20 . 1 14 LYS N 1 14 LYS CA 1 14 LYS C 1 15 GLU N -61.30 -21.30 -33.46 -28.98 -33.59 0.83 5 0 "[ . 1 . 2]" 21 . 1 14 LYS C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -84.50 -44.50 -71.85 -83.53 -58.62 . . 0 "[ . 1 . 2]" 22 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 ILE N -64.90 -24.90 -52.62 -53.39 -54.57 . . 0 "[ . 1 . 2]" 23 . 1 15 GLU C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -87.80 -47.80 -61.50 -68.26 -53.43 . . 0 "[ . 1 . 2]" 24 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 LEU N -64.20 -24.20 -41.09 -40.51 -41.13 . . 0 "[ . 1 . 2]" 25 . 1 16 ILE C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -86.50 -46.50 -65.96 -73.70 -54.82 . . 0 "[ . 1 . 2]" 26 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 GLY N -54.70 -6.50 -50.89 -55.52 -42.60 0.82 6 0 "[ . 1 . 2]" 27 . 1 17 LEU C 1 18 GLY N 1 18 GLY CA 1 18 GLY C -107.00 -52.80 -77.78 -89.77 -67.91 . . 0 "[ . 1 . 2]" 28 . 1 18 GLY N 1 18 GLY CA 1 18 GLY C 1 19 SER N -32.90 7.10 -32.00 -19.22 -29.65 1.22 19 0 "[ . 1 . 2]" 29 . 1 18 GLY C 1 19 SER N 1 19 SER CA 1 19 SER C -118.70 -32.70 -83.21 -105.42 -71.89 . . 0 "[ . 1 . 2]" 30 . 1 19 SER N 1 19 SER CA 1 19 SER C 1 20 ASN N -69.90 22.90 -34.58 -3.50 -15.10 . . 0 "[ . 1 . 2]" 31 . 1 19 SER C 1 20 ASN N 1 20 ASN CA 1 20 ASN C -130.00 -46.00 -100.14 -125.94 -75.67 . . 0 "[ . 1 . 2]" 32 . 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 LYS N -59.00 33.00 -57.11 -60.39 -47.58 1.39 15 0 "[ . 1 . 2]" 33 . 1 21 LYS C 1 22 ASN N 1 22 ASN CA 1 22 ASN C 27.00 107.00 70.20 73.01 71.36 . . 0 "[ . 1 . 2]" 34 . 1 22 ASN N 1 22 ASN CA 1 22 ASN C 1 23 TYR N -13.00 79.00 -10.78 -15.01 -15.31 2.47 1 0 "[ . 1 . 2]" 35 . 1 23 TYR C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -146.10 -62.90 -91.81 -93.47 -96.01 . . 0 "[ . 1 . 2]" 36 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 PHE N 72.00 160.20 100.42 96.47 95.78 . . 0 "[ . 1 . 2]" 37 . 1 24 LYS C 1 25 PHE N 1 25 PHE CA 1 25 PHE C -122.70 -75.50 -75.13 -79.06 -74.33 1.17 15 0 "[ . 1 . 2]" 38 . 1 25 PHE N 1 25 PHE CA 1 25 PHE C 1 26 VAL N 108.00 152.00 130.04 120.38 139.69 . . 0 "[ . 1 . 2]" 39 . 1 25 PHE C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -155.10 -92.50 -122.93 -125.84 -127.40 . . 0 "[ . 1 . 2]" 40 . 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 ILE N 125.10 178.90 136.09 126.66 140.22 . . 0 "[ . 1 . 2]" 41 . 1 26 VAL C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -173.70 -94.70 -123.81 -117.90 -121.14 . . 0 "[ . 1 . 2]" 42 . 1 27 ILE N 1 27 ILE CA 1 27 ILE C 1 28 THR N 130.80 171.40 152.53 142.38 160.21 . . 0 "[ . 1 . 2]" 43 . 1 27 ILE C 1 28 THR N 1 28 THR CA 1 28 THR C -99.70 -59.70 -91.52 -85.86 -89.86 0.37 4 0 "[ . 1 . 2]" 44 . 1 28 THR N 1 28 THR CA 1 28 THR C 1 29 THR N 145.40 -174.60 169.20 160.44 177.90 . . 0 "[ . 1 . 2]" 45 . 1 28 THR C 1 29 THR N 1 29 THR CA 1 29 THR C -79.30 -39.30 -65.77 -72.27 -61.56 . . 0 "[ . 1 . 2]" 46 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 LEU N -60.30 -20.30 -40.74 -42.57 -44.22 . . 0 "[ . 1 . 2]" 47 . 1 29 THR C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -82.80 -42.80 -71.56 -71.67 -72.64 . . 0 "[ . 1 . 2]" 48 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 GLY N -58.50 -18.50 -27.92 -34.43 -18.46 0.04 20 0 "[ . 1 . 2]" 49 . 1 30 LEU C 1 31 GLY N 1 31 GLY CA 1 31 GLY C -84.90 -44.90 -65.26 -76.24 -57.93 . . 0 "[ . 1 . 2]" 50 . 1 31 GLY N 1 31 GLY CA 1 31 GLY C 1 32 VAL N -61.20 -21.20 -53.17 -54.90 -56.18 . . 0 "[ . 1 . 2]" 51 . 1 31 GLY C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -84.10 -44.10 -61.64 -66.89 -58.58 . . 0 "[ . 1 . 2]" 52 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 SER N -61.40 -21.40 -38.22 -42.42 -32.07 . . 0 "[ . 1 . 2]" 53 . 1 32 VAL C 1 33 SER N 1 33 SER CA 1 33 SER C -83.80 -43.80 -66.98 -64.72 -65.32 . . 0 "[ . 1 . 2]" 54 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 PHE N -61.30 -21.30 -37.00 -42.24 -22.46 . . 0 "[ . 1 . 2]" 55 . 1 33 SER C 1 34 PHE N 1 34 PHE CA 1 34 PHE C -85.80 -45.80 -65.36 -69.72 -59.05 . . 0 "[ . 1 . 2]" 56 . 1 34 PHE N 1 34 PHE CA 1 34 PHE C 1 35 ALA N -62.50 -22.50 -40.79 -39.33 -39.60 . . 0 "[ . 1 . 2]" 57 . 1 34 PHE C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -82.60 -42.60 -64.57 -66.45 -66.98 . . 0 "[ . 1 . 2]" 58 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 ILE N -60.80 -20.80 -43.75 -52.04 -36.29 . . 0 "[ . 1 . 2]" 59 . 1 35 ALA C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -81.60 -41.60 -59.11 -60.07 -61.27 . . 0 "[ . 1 . 2]" 60 . 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 LYS N -59.80 -19.80 -51.97 -57.68 -45.85 . . 0 "[ . 1 . 2]" 61 . 1 36 ILE C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -86.20 -46.20 -68.56 -73.64 -64.73 . . 0 "[ . 1 . 2]" 62 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 SER N -48.40 -8.40 -25.88 -32.53 -35.78 . . 0 "[ . 1 . 2]" 63 . 1 37 LYS C 1 38 SER N 1 38 SER CA 1 38 SER C -117.30 -70.10 -91.85 -106.78 -80.45 . . 0 "[ . 1 . 2]" 64 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 GLY N -28.20 17.80 -12.67 -23.58 -28.20 0.30 1 0 "[ . 1 . 2]" 65 . 1 38 SER C 1 39 GLY N 1 39 GLY CA 1 39 GLY C 57.00 114.20 79.03 61.77 98.68 . . 0 "[ . 1 . 2]" 66 . 1 39 GLY N 1 39 GLY CA 1 39 GLY C 1 40 ILE N -11.60 40.80 37.59 29.20 41.57 0.77 14 0 "[ . 1 . 2]" 67 . 1 39 GLY C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -123.30 -40.10 -98.23 -97.27 -99.17 . . 0 "[ . 1 . 2]" 68 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 ASP N 112.90 158.90 144.89 129.91 157.45 . . 0 "[ . 1 . 2]" 69 . 1 40 ILE C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -108.00 -60.00 -70.79 -73.08 -76.01 0.24 7 0 "[ . 1 . 2]" 70 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 ILE N 83.00 147.00 95.86 83.10 129.60 . . 0 "[ . 1 . 2]" 71 . 1 41 ASP C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -154.00 -46.00 -103.29 -86.96 -88.72 . . 0 "[ . 1 . 2]" 72 . 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 ASP N -40.00 56.00 -25.18 -40.91 -9.38 0.91 20 0 "[ . 1 . 2]" 73 . 1 42 ILE C 1 43 ASP N 1 43 ASP CA 1 43 ASP C -79.00 -39.00 -63.68 -62.31 -63.82 . . 0 "[ . 1 . 2]" 74 . 1 43 ASP N 1 43 ASP CA 1 43 ASP C 1 44 SER N -54.00 -14.00 -40.56 -49.46 -27.44 . . 0 "[ . 1 . 2]" 75 . 1 43 ASP C 1 44 SER N 1 44 SER CA 1 44 SER C -82.00 -42.00 -65.48 -57.72 -59.78 . . 0 "[ . 1 . 2]" 76 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 ALA N -65.00 -25.00 -31.46 -40.64 -24.45 0.55 16 0 "[ . 1 . 2]" 77 . 1 44 SER C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -85.00 -45.00 -71.45 -78.58 -63.12 . . 0 "[ . 1 . 2]" 78 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 LEU N -63.00 -23.00 -49.97 -57.08 -44.89 . . 0 "[ . 1 . 2]" 79 . 1 45 ALA C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -84.60 -44.60 -58.54 -58.51 -59.67 . . 0 "[ . 1 . 2]" 80 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 ASP N -59.50 -19.50 -41.80 -46.93 -38.11 . . 0 "[ . 1 . 2]" 81 . 1 46 LEU C 1 47 ASP N 1 47 ASP CA 1 47 ASP C -86.20 -46.20 -59.39 -68.68 -52.77 . . 0 "[ . 1 . 2]" 82 . 1 47 ASP N 1 47 ASP CA 1 47 ASP C 1 48 ARG N -50.10 -1.70 -41.14 -49.61 -21.73 . . 0 "[ . 1 . 2]" 83 . 1 47 ASP C 1 48 ARG N 1 48 ARG CA 1 48 ARG C -115.00 -67.60 -81.97 -79.64 -81.65 0.33 10 0 "[ . 1 . 2]" 84 . 1 48 ARG N 1 48 ARG CA 1 48 ARG C 1 49 GLY N -20.60 31.00 -5.30 -10.02 -13.59 . . 0 "[ . 1 . 2]" 85 . 1 48 ARG C 1 49 GLY N 1 49 GLY CA 1 49 GLY C 61.90 124.50 124.31 124.61 123.77 1.46 6 0 "[ . 1 . 2]" 86 . 1 49 GLY N 1 49 GLY CA 1 49 GLY C 1 50 VAL N -13.70 29.10 9.85 -2.50 24.08 . . 0 "[ . 1 . 2]" 87 . 1 49 GLY C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -116.00 -54.60 -80.01 -98.39 -70.95 . . 0 "[ . 1 . 2]" 88 . 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 ILE N 80.50 -172.50 126.51 119.57 138.52 . . 0 "[ . 1 . 2]" 89 . 1 50 VAL C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -155.70 -77.30 -102.97 -113.10 -93.99 . . 0 "[ . 1 . 2]" 90 . 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 VAL N 130.00 171.40 151.49 152.56 151.74 . . 0 "[ . 1 . 2]" 91 . 1 51 ILE C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -146.10 -67.70 -100.41 -100.35 -100.75 . . 0 "[ . 1 . 2]" 92 . 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1 53 ARG N 110.30 150.30 129.00 123.25 120.98 . . 0 "[ . 1 . 2]" 93 . 1 52 VAL C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -176.30 -98.90 -129.91 -153.25 -113.14 . . 0 "[ . 1 . 2]" 94 . 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 ALA N 126.70 175.30 133.60 133.18 126.89 1.94 8 0 "[ . 1 . 2]" 95 . 1 53 ARG C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -152.80 -77.00 -109.94 -104.71 -113.32 1.90 17 0 "[ . 1 . 2]" 96 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 PHE N 112.80 156.80 139.85 149.08 146.27 1.88 17 0 "[ . 1 . 2]" 97 . 1 54 ALA C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -112.40 -61.20 -81.32 -81.48 -83.88 . . 0 "[ . 1 . 2]" 98 . 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 SER N 82.10 158.50 128.22 98.05 162.31 3.81 6 0 "[ . 1 . 2]" 99 . 1 55 PHE C 1 56 SER N 1 56 SER CA 1 56 SER C -119.90 -55.90 -73.76 -97.62 -53.83 2.07 6 0 "[ . 1 . 2]" 100 . 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 HIS N -55.70 8.70 -35.80 -40.93 -50.53 2.73 18 0 "[ . 1 . 2]" 101 . 1 56 SER C 1 57 HIS N 1 57 HIS CA 1 57 HIS C 158.00 -77.20 -130.47 -100.82 -122.86 1.25 6 0 "[ . 1 . 2]" 102 . 1 57 HIS N 1 57 HIS CA 1 57 HIS C 1 58 LYS N 101.90 -165.30 134.08 145.70 136.49 2.90 20 0 "[ . 1 . 2]" 103 . 1 57 HIS C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -133.80 -54.40 -108.92 -109.38 -133.83 3.63 7 0 "[ . 1 . 2]" 104 . 1 58 LYS N 1 58 LYS CA 1 58 LYS C 1 59 PRO N 67.50 -179.90 125.63 130.91 130.67 . . 0 "[ . 1 . 2]" 105 . 1 58 LYS C 1 59 PRO N 1 59 PRO CA 1 59 PRO C -91.20 -51.20 -70.58 -86.50 -51.50 . . 0 "[ . 1 . 2]" 106 . 1 59 PRO N 1 59 PRO CA 1 59 PRO C 1 60 PRO N 125.30 172.50 131.06 123.20 121.94 3.54 7 0 "[ . 1 . 2]" 107 . 1 59 PRO C 1 60 PRO N 1 60 PRO CA 1 60 PRO C -90.00 -50.00 -76.03 -84.39 -88.76 1.62 20 0 "[ . 1 . 2]" 108 . 1 60 PRO N 1 60 PRO CA 1 60 PRO C 1 61 LYS N 131.40 171.40 145.99 163.89 153.70 2.53 17 0 "[ . 1 . 2]" 109 . 1 60 PRO C 1 61 LYS N 1 61 LYS CA 1 61 LYS C -114.00 -54.80 -95.27 -100.87 -110.82 2.44 9 0 "[ . 1 . 2]" 110 . 1 61 LYS N 1 61 LYS CA 1 61 LYS C 1 62 VAL N 110.50 150.50 116.18 119.42 111.59 3.34 7 0 "[ . 1 . 2]" 111 . 1 61 LYS C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -158.00 -66.60 -122.56 -137.88 -145.79 0.35 14 0 "[ . 1 . 2]" 112 . 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 GLY N 83.30 161.90 143.31 145.06 144.43 0.89 6 0 "[ . 1 . 2]" 113 . 1 64 ASN C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -107.00 -50.40 -92.14 -108.49 -58.73 1.49 8 0 "[ . 1 . 2]" 114 . 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 PRO N 86.30 -173.10 144.67 132.96 155.97 . . 0 "[ . 1 . 2]" 115 . 1 65 LEU C 1 66 PRO N 1 66 PRO CA 1 66 PRO C -87.00 -42.60 -70.05 -71.06 -75.71 . . 0 "[ . 1 . 2]" 116 . 1 66 PRO N 1 66 PRO CA 1 66 PRO C 1 67 GLN N 129.00 169.00 155.36 140.29 170.24 1.24 3 0 "[ . 1 . 2]" 117 . 1 66 PRO C 1 67 GLN N 1 67 GLN CA 1 67 GLN C -76.30 -36.30 -58.57 -66.08 -45.38 . . 0 "[ . 1 . 2]" 118 . 1 67 GLN N 1 67 GLN CA 1 67 GLN C 1 68 TYR N -54.40 -12.60 -36.84 -37.00 -38.94 . . 0 "[ . 1 . 2]" 119 . 1 67 GLN C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -110.10 -39.30 -62.52 -62.83 -63.12 . . 0 "[ . 1 . 2]" 120 . 1 68 TYR N 1 68 TYR CA 1 68 TYR C 1 69 GLU N -42.80 27.80 -36.52 -43.77 -31.21 0.97 3 0 "[ . 1 . 2]" 121 . 1 68 TYR C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -110.90 -43.70 -75.86 -71.97 -73.98 . . 0 "[ . 1 . 2]" 122 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 SER N -63.80 4.80 -36.87 -44.62 -24.96 . . 0 "[ . 1 . 2]" 123 . 1 69 GLU C 1 70 SER N 1 70 SER CA 1 70 SER C -80.40 -40.40 -63.32 -73.79 -54.72 . . 0 "[ . 1 . 2]" 124 . 1 70 SER N 1 70 SER CA 1 70 SER C 1 71 GLU N -66.30 -24.90 -38.55 -34.90 -37.88 0.59 17 0 "[ . 1 . 2]" 125 . 1 70 SER C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -88.20 -46.20 -62.15 -66.55 -54.03 . . 0 "[ . 1 . 2]" 126 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 ALA N -55.40 -15.40 -41.27 -50.20 -35.37 . . 0 "[ . 1 . 2]" 127 . 1 71 GLU C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -86.10 -46.10 -61.71 -62.36 -62.86 . . 0 "[ . 1 . 2]" 128 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 ILE N -59.90 -13.30 -46.72 -47.39 -48.14 . . 0 "[ . 1 . 2]" 129 . 1 72 ALA C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -82.70 -42.70 -59.29 -54.75 -56.40 . . 0 "[ . 1 . 2]" 130 . 1 73 ILE N 1 73 ILE CA 1 73 ILE C 1 74 MET N -66.40 -26.40 -45.07 -50.64 -34.40 . . 0 "[ . 1 . 2]" 131 . 1 73 ILE C 1 74 MET N 1 74 MET CA 1 74 MET C -86.50 -46.50 -63.59 -71.66 -59.12 . . 0 "[ . 1 . 2]" 132 . 1 74 MET N 1 74 MET CA 1 74 MET C 1 75 VAL N -55.60 -15.60 -42.30 -31.65 -37.59 . . 0 "[ . 1 . 2]" 133 . 1 74 MET C 1 75 VAL N 1 75 VAL CA 1 75 VAL C -82.60 -42.60 -66.40 -70.15 -61.77 . . 0 "[ . 1 . 2]" 134 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 ALA N -64.60 -24.60 -38.72 -35.06 -35.94 . . 0 "[ . 1 . 2]" 135 . 1 75 VAL C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -82.00 -42.00 -66.49 -70.12 -62.18 . . 0 "[ . 1 . 2]" 136 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 PHE N -64.20 -24.20 -32.94 -41.55 -27.03 . . 0 "[ . 1 . 2]" 137 . 1 76 ALA C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -83.60 -43.60 -71.74 -80.43 -65.36 . . 0 "[ . 1 . 2]" 138 . 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 GLU N -62.60 -22.60 -40.19 -48.22 -27.07 . . 0 "[ . 1 . 2]" 139 . 1 77 PHE C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -85.00 -45.00 -66.15 -77.04 -49.20 . . 0 "[ . 1 . 2]" 140 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 LEU N -57.00 -5.00 -45.82 -52.29 -56.80 0.06 20 0 "[ . 1 . 2]" 141 . 1 78 GLU C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -112.50 -71.50 -84.33 -85.84 -86.51 . . 0 "[ . 1 . 2]" 142 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 ASN N -21.70 22.30 -16.11 -21.55 -9.23 . . 0 "[ . 1 . 2]" 143 . 1 79 LEU C 1 80 ASN N 1 80 ASN CA 1 80 ASN C 33.00 94.80 59.62 61.06 60.73 . . 0 "[ . 1 . 2]" 144 . 1 80 ASN N 1 80 ASN CA 1 80 ASN C 1 81 ALA N 7.50 69.10 61.37 39.63 69.19 0.09 8 0 "[ . 1 . 2]" 145 . 1 80 ASN C 1 81 ALA N 1 81 ALA CA 1 81 ALA C -147.00 -75.00 -109.83 -126.21 -91.17 . . 0 "[ . 1 . 2]" 146 . 1 81 ALA N 1 81 ALA CA 1 81 ALA C 1 82 LEU N 117.00 -175.00 177.92 170.70 -176.81 . . 0 "[ . 1 . 2]" 147 . 1 81 ALA C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -169.70 -81.50 -88.90 -89.53 -89.94 . . 0 "[ . 1 . 2]" 148 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 LEU N 111.80 151.80 130.99 121.13 147.82 . . 0 "[ . 1 . 2]" 149 . 1 82 LEU C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -144.90 -68.70 -106.14 -103.57 -105.72 . . 0 "[ . 1 . 2]" 150 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 ILE N 100.50 147.70 124.23 125.74 125.19 . . 0 "[ . 1 . 2]" 151 . 1 83 LEU C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -148.40 -75.00 -102.27 -111.91 -94.21 . . 0 "[ . 1 . 2]" 152 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 ALA N 110.30 150.30 113.22 114.95 113.86 0.27 9 0 "[ . 1 . 2]" 153 . 1 84 ILE C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -162.10 -114.50 -141.58 -148.13 -126.11 . . 0 "[ . 1 . 2]" 154 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 GLU N 139.30 179.30 151.63 144.00 139.71 0.01 1 0 "[ . 1 . 2]" 155 . 1 86 GLU C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -108.70 -52.30 -78.82 -94.17 -63.44 . . 0 "[ . 1 . 2]" 156 . 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 LYS N 88.00 156.80 128.14 118.88 138.78 . . 0 "[ . 1 . 2]" 157 . 1 87 ASP C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -74.40 -34.40 -61.59 -74.57 -46.19 0.17 19 0 "[ . 1 . 2]" 158 . 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 ASP N -63.10 -16.50 -33.51 -29.54 -33.75 0.05 5 0 "[ . 1 . 2]" 159 . 1 88 LYS C 1 89 ASP N 1 89 ASP CA 1 89 ASP C -81.00 -41.00 -78.42 -81.28 -81.47 0.63 7 0 "[ . 1 . 2]" 160 . 1 89 ASP N 1 89 ASP CA 1 89 ASP C 1 90 VAL N -60.30 -20.30 -33.65 -39.48 -27.49 . . 0 "[ . 1 . 2]" 161 . 1 89 ASP C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -88.50 -48.50 -61.64 -67.95 -57.39 . . 0 "[ . 1 . 2]" 162 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 ILE N -61.70 -18.90 -47.58 -53.08 -41.48 . . 0 "[ . 1 . 2]" 163 . 1 90 VAL C 1 91 ILE N 1 91 ILE CA 1 91 ILE C -80.20 -40.20 -58.75 -57.69 -58.26 . . 0 "[ . 1 . 2]" 164 . 1 91 ILE N 1 91 ILE CA 1 91 ILE C 1 92 ASN N -64.30 -24.30 -47.75 -50.34 -51.64 . . 0 "[ . 1 . 2]" 165 . 1 91 ILE C 1 92 ASN N 1 92 ASN CA 1 92 ASN C -81.00 -41.00 -62.28 -64.90 -68.60 . . 0 "[ . 1 . 2]" 166 . 1 92 ASN N 1 92 ASN CA 1 92 ASN C 1 93 LYS N -61.30 -21.30 -47.11 -58.85 -31.86 . . 0 "[ . 1 . 2]" 167 . 1 92 ASN C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -85.70 -45.70 -63.69 -61.24 -63.01 . . 0 "[ . 1 . 2]" 168 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 ALA N -58.60 -18.60 -42.22 -51.26 -33.23 . . 0 "[ . 1 . 2]" 169 . 1 93 LYS C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -80.40 -40.40 -64.66 -64.49 -64.86 . . 0 "[ . 1 . 2]" 170 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 LYS N -61.00 -21.00 -40.60 -47.53 -32.66 . . 0 "[ . 1 . 2]" 171 . 1 94 ALA C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -87.40 -47.40 -67.76 -76.54 -57.77 . . 0 "[ . 1 . 2]" 172 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 GLU N -59.10 -19.10 -30.65 -31.20 -34.98 0.59 14 0 "[ . 1 . 2]" 173 . 1 95 LYS C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -83.20 -43.20 -64.82 -74.02 -55.82 . . 0 "[ . 1 . 2]" 174 . 1 96 GLU N 1 96 GLU CA 1 96 GLU C 1 97 LEU N -52.90 -1.70 -34.41 -37.19 -38.72 . . 0 "[ . 1 . 2]" 175 . 1 96 GLU C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -112.30 -67.90 -81.35 -88.44 -72.68 . . 0 "[ . 1 . 2]" 176 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 GLY N -18.40 21.60 -9.54 -11.14 -11.35 0.56 10 0 "[ . 1 . 2]" 177 . 1 97 LEU C 1 98 GLY N 1 98 GLY CA 1 98 GLY C 70.00 110.00 100.00 102.97 99.85 0.39 16 0 "[ . 1 . 2]" 178 . 1 98 GLY N 1 98 GLY CA 1 98 GLY C 1 99 VAL N -7.00 33.00 11.29 -7.19 27.54 0.19 14 0 "[ . 1 . 2]" 179 . 1 98 GLY C 1 99 VAL N 1 99 VAL CA 1 99 VAL C -135.00 -54.20 -94.81 -98.79 -100.10 . . 0 "[ . 1 . 2]" 180 . 1 99 VAL N 1 99 VAL CA 1 99 VAL C 1 100 ASN N 108.00 166.40 133.54 126.10 142.87 . . 0 "[ . 1 . 2]" 181 . 1 99 VAL C 1 100 ASN N 1 100 ASN CA 1 100 ASN C -137.20 -48.20 -82.02 -79.85 -80.82 . . 0 "[ . 1 . 2]" 182 . 1 100 ASN N 1 100 ASN CA 1 100 ASN C 1 101 ALA N 74.90 161.50 94.04 90.75 90.30 . . 0 "[ . 1 . 2]" 183 . 1 100 ASN C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -162.10 -92.10 -98.67 -107.11 -92.30 . . 0 "[ . 1 . 2]" 184 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 ILE N 119.70 173.50 132.05 136.00 133.70 . . 0 "[ . 1 . 2]" 185 . 1 101 ALA C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -165.30 -112.10 -136.84 -143.09 -130.14 . . 0 "[ . 1 . 2]" 186 . 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 PRO N 104.20 -172.20 152.52 139.20 157.82 . . 0 "[ . 1 . 2]" 187 . 1 102 ILE C 1 103 PRO N 1 103 PRO CA 1 103 PRO C -85.20 -41.80 -69.41 -66.76 -67.91 . . 0 "[ . 1 . 2]" 188 . 1 103 PRO N 1 103 PRO CA 1 103 PRO C 1 104 ILE N 127.30 167.30 162.33 155.45 167.76 0.46 7 0 "[ . 1 . 2]" 189 . 1 103 PRO C 1 104 ILE N 1 104 ILE CA 1 104 ILE C -69.70 -29.70 -56.52 -55.70 -55.80 . . 0 "[ . 1 . 2]" 190 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 GLU N -66.50 -22.30 -43.19 -43.93 -44.46 . . 0 "[ . 1 . 2]" 191 . 1 104 ILE C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -80.20 -40.20 -65.63 -76.03 -57.76 . . 0 "[ . 1 . 2]" 192 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 GLU N -56.70 -16.70 -27.30 -20.43 -23.04 0.70 19 0 "[ . 1 . 2]" 193 . 1 105 GLU C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -87.00 -47.00 -75.29 -78.59 -79.87 . . 0 "[ . 1 . 2]" 194 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 LEU N -59.40 -19.40 -33.66 -45.40 -25.81 . . 0 "[ . 1 . 2]" 195 . 1 106 GLU C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -85.60 -45.60 -67.10 -66.40 -67.21 . . 0 "[ . 1 . 2]" 196 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 LEU N -60.40 -18.60 -40.73 -47.95 -32.72 . . 0 "[ . 1 . 2]" 197 . 1 107 LEU C 1 108 LEU N 1 108 LEU CA 1 108 LEU C -92.30 -47.10 -65.53 -68.26 -72.93 . . 0 "[ . 1 . 2]" 198 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C 1 109 ALA N -57.00 6.00 -37.93 -48.55 -14.57 . . 0 "[ . 1 . 2]" 199 . 1 108 LEU C 1 109 ALA N 1 109 ALA CA 1 109 ALA C -121.00 -41.00 -72.20 -63.74 -67.57 . . 0 "[ . 1 . 2]" 200 . 1 109 ALA N 1 109 ALA CA 1 109 ALA C 1 110 SER N -55.00 9.00 -22.62 -22.75 -25.42 . . 0 "[ . 1 . 2]" 201 . 1 109 ALA C 1 110 SER N 1 110 SER CA 1 110 SER C -125.00 -49.00 -89.47 -76.03 -84.92 . . 0 "[ . 1 . 2]" 202 . 1 110 SER N 1 110 SER CA 1 110 SER C 1 111 SER N -64.00 40.00 4.25 -47.04 35.91 . . 0 "[ . 1 . 2]" 203 . 1 112 LEU C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -105.20 -43.80 -73.52 -77.64 -81.59 1.34 8 0 "[ . 1 . 2]" 204 . 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 HIS N -56.90 -15.70 -34.77 -58.28 -15.07 1.38 17 0 "[ . 1 . 2]" stop_ save_
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