NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
643075 | 6rss | 34407 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6rss save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 186 _TA_constraint_stats_list.Viol_count 309 _TA_constraint_stats_list.Viol_total 18413.21 _TA_constraint_stats_list.Viol_max 86.69 _TA_constraint_stats_list.Viol_rms 2.67 _TA_constraint_stats_list.Viol_average_all_restraints 0.25 _TA_constraint_stats_list.Viol_average_violations_only 2.98 _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 SER C 1 3 HIS N 1 3 HIS CA 1 3 HIS C -120.00 -9.26 -99.00 -120.74 -60.10 0.74 16 0 "[ . 1 . 2]" 2 . 1 3 HIS N 1 3 HIS CA 1 3 HIS C 1 4 MET N 90.00 -162.78 149.81 155.09 150.45 . . 0 "[ . 1 . 2]" 3 . 1 3 HIS C 1 4 MET N 1 4 MET CA 1 4 MET C -170.00 -98.50 -117.50 -138.61 -100.04 . . 0 "[ . 1 . 2]" 4 . 1 4 MET N 1 4 MET CA 1 4 MET C 1 5 GLN N 110.00 -156.72 140.43 132.10 171.52 . . 0 "[ . 1 . 2]" 5 . 1 4 MET C 1 5 GLN N 1 5 GLN CA 1 5 GLN C -140.00 -70.10 -83.62 -105.20 -70.27 . . 0 "[ . 1 . 2]" 6 . 1 5 GLN N 1 5 GLN CA 1 5 GLN C 1 6 TYR N 100.00 149.92 121.74 99.19 144.01 0.81 4 0 "[ . 1 . 2]" 7 . 1 5 GLN C 1 6 TYR N 1 6 TYR CA 1 6 TYR C -150.00 -80.26 -113.77 -124.96 -127.14 . . 0 "[ . 1 . 2]" 8 . 1 6 TYR N 1 6 TYR CA 1 6 TYR C 1 7 LYS N 110.00 159.42 146.25 149.74 146.87 1.18 3 0 "[ . 1 . 2]" 9 . 1 6 TYR C 1 7 LYS N 1 7 LYS CA 1 7 LYS C -160.00 -98.02 -122.64 -138.11 -106.20 . . 0 "[ . 1 . 2]" 10 . 1 7 LYS N 1 7 LYS CA 1 7 LYS C 1 8 LEU N 110.00 162.28 150.45 133.31 164.40 2.12 1 0 "[ . 1 . 2]" 11 . 1 7 LYS C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -150.00 -82.26 -132.46 -136.52 -139.49 . . 0 "[ . 1 . 2]" 12 . 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 ILE N 100.00 156.26 140.52 125.60 146.33 . . 0 "[ . 1 . 2]" 13 . 1 8 LEU C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -140.00 -89.84 -121.94 -109.61 -113.24 . . 0 "[ . 1 . 2]" 14 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 LEU N 100.00 150.02 120.83 124.98 124.29 . . 0 "[ . 1 . 2]" 15 . 1 9 ILE C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -140.00 -68.18 -91.82 -95.64 -95.92 . . 0 "[ . 1 . 2]" 16 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 ASN N 90.00 147.24 104.11 99.27 95.02 . . 0 "[ . 1 . 2]" 17 . 1 10 LEU C 1 11 ASN N 1 11 ASN CA 1 11 ASN C -140.00 -27.86 -98.28 -118.35 -86.67 . . 0 "[ . 1 . 2]" 18 . 1 11 ASN N 1 11 ASN CA 1 11 ASN C 1 12 GLY N 90.00 165.96 86.08 81.75 88.42 8.25 18 4 "[ *. - . + *]" 19 . 1 12 GLY C 1 13 LYS N 1 13 LYS CA 1 13 LYS C -120.00 -33.52 -61.19 -58.80 -80.42 . . 0 "[ . 1 . 2]" 20 . 1 13 LYS N 1 13 LYS CA 1 13 LYS C 1 14 THR N -60.00 12.14 -36.71 -45.65 -55.90 0.37 8 0 "[ . 1 . 2]" 21 . 1 14 THR C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -160.00 18.60 -141.50 -161.24 -115.70 1.24 2 0 "[ . 1 . 2]" 22 . 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 LYS N 100.00 175.14 105.61 95.58 126.10 4.42 16 0 "[ . 1 . 2]" 23 . 1 15 LEU C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -160.00 -89.30 -121.14 -122.18 -126.36 . . 0 "[ . 1 . 2]" 24 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 GLY N 110.00 178.62 124.92 109.25 155.89 0.75 10 0 "[ . 1 . 2]" 25 . 1 16 LYS C 1 17 GLY N 1 17 GLY CA 1 17 GLY C -180.00 -81.20 177.99 175.76 179.24 4.24 2 0 "[ . 1 . 2]" 26 . 1 17 GLY N 1 17 GLY CA 1 17 GLY C 1 18 GLU N 90.00 -158.76 -171.71 -177.72 178.36 . . 0 "[ . 1 . 2]" 27 . 1 17 GLY C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -170.00 -99.24 -143.66 -164.94 -130.12 . . 0 "[ . 1 . 2]" 28 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 THR N 110.00 -167.96 163.22 150.37 175.28 . . 0 "[ . 1 . 2]" 29 . 1 18 GLU C 1 19 THR N 1 19 THR CA 1 19 THR C -170.00 -55.38 -160.60 -152.90 -155.22 0.26 19 0 "[ . 1 . 2]" 30 . 1 19 THR N 1 19 THR CA 1 19 THR C 1 20 THR N 100.00 -176.08 168.45 178.45 175.22 . . 0 "[ . 1 . 2]" 31 . 1 19 THR C 1 20 THR N 1 20 THR CA 1 20 THR C -160.00 -94.04 -134.97 -134.69 -136.94 . . 0 "[ . 1 . 2]" 32 . 1 20 THR N 1 20 THR CA 1 20 THR C 1 21 THR N 110.00 174.92 158.34 152.80 148.01 . . 0 "[ . 1 . 2]" 33 . 1 20 THR C 1 21 THR N 1 21 THR CA 1 21 THR C -160.00 -100.58 -154.25 -160.20 -141.82 0.20 6 0 "[ . 1 . 2]" 34 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 GLU N 100.00 155.76 154.83 143.81 157.93 2.17 1 0 "[ . 1 . 2]" 35 . 1 21 THR C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -160.00 -69.74 -99.68 -106.80 -114.61 . . 0 "[ . 1 . 2]" 36 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 ALA N 100.00 170.64 124.07 135.86 130.54 0.17 13 0 "[ . 1 . 2]" 37 . 1 22 GLU C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -170.00 -79.30 -141.20 -146.34 -150.16 . . 0 "[ . 1 . 2]" 38 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 VAL N 110.00 179.56 157.80 147.29 166.97 . . 0 "[ . 1 . 2]" 39 . 1 23 ALA C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -120.00 -31.88 -101.65 -109.22 -87.39 . . 0 "[ . 1 . 2]" 40 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 ASP N -50.00 6.64 -0.97 6.63 2.84 1.90 11 0 "[ . 1 . 2]" 41 . 1 24 VAL C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -180.00 -82.56 -146.82 -165.36 -103.29 . . 0 "[ . 1 . 2]" 42 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 ALA N 130.00 -174.44 156.78 158.66 158.17 . . 0 "[ . 1 . 2]" 43 . 1 25 ASP C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -80.00 -30.20 -74.87 -79.03 -80.35 1.06 1 0 "[ . 1 . 2]" 44 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 ALA N -70.00 -15.88 -42.57 -57.85 -36.90 . . 0 "[ . 1 . 2]" 45 . 1 26 ALA C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -90.00 -39.80 -65.92 -74.05 -58.87 . . 0 "[ . 1 . 2]" 46 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 THR N -70.00 -14.74 -34.25 -33.97 -34.95 . . 0 "[ . 1 . 2]" 47 . 1 27 ALA C 1 28 THR N 1 28 THR CA 1 28 THR C -90.00 -39.86 -68.73 -66.24 -67.18 . . 0 "[ . 1 . 2]" 48 . 1 28 THR N 1 28 THR CA 1 28 THR C 1 29 ALA N -60.00 -28.96 -30.08 -30.12 -31.42 1.83 2 0 "[ . 1 . 2]" 49 . 1 28 THR C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -90.00 -38.18 -72.76 -76.82 -69.03 . . 0 "[ . 1 . 2]" 50 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 GLU N -70.00 -17.52 -36.84 -42.52 -33.09 . . 0 "[ . 1 . 2]" 51 . 1 29 ALA C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -90.00 -31.30 -61.40 -63.29 -65.26 . . 0 "[ . 1 . 2]" 52 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 LYS N -70.00 -19.62 -57.93 -60.26 -62.14 . . 0 "[ . 1 . 2]" 53 . 1 30 GLU C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -80.00 -49.00 -50.77 -50.35 -50.59 2.37 19 0 "[ . 1 . 2]" 54 . 1 31 LYS N 1 31 LYS CA 1 31 LYS C 1 32 VAL N -70.00 -19.80 -43.31 -42.80 -42.94 . . 0 "[ . 1 . 2]" 55 . 1 31 LYS C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -90.00 -37.54 -70.68 -75.79 -66.36 . . 0 "[ . 1 . 2]" 56 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 PHE N -70.00 -16.58 -48.52 -56.14 -44.36 . . 0 "[ . 1 . 2]" 57 . 1 32 VAL C 1 33 PHE N 1 33 PHE CA 1 33 PHE C -90.00 -40.36 -68.39 -71.82 -73.18 . . 0 "[ . 1 . 2]" 58 . 1 33 PHE N 1 33 PHE CA 1 33 PHE C 1 34 LYS N -60.00 -9.92 -21.50 -21.50 -21.77 . . 0 "[ . 1 . 2]" 59 . 1 33 PHE C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -90.00 -36.12 -70.66 -77.16 -66.09 . . 0 "[ . 1 . 2]" 60 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 GLN N -70.00 -11.32 -40.85 -46.27 -30.87 . . 0 "[ . 1 . 2]" 61 . 1 34 LYS C 1 35 GLN N 1 35 GLN CA 1 35 GLN C -90.00 -39.86 -68.69 -76.16 -63.95 . . 0 "[ . 1 . 2]" 62 . 1 35 GLN N 1 35 GLN CA 1 35 GLN C 1 36 TYR N -70.00 -17.58 -33.14 -27.51 -30.27 . . 0 "[ . 1 . 2]" 63 . 1 35 GLN C 1 36 TYR N 1 36 TYR CA 1 36 TYR C -90.00 -39.74 -65.20 -70.05 -57.14 . . 0 "[ . 1 . 2]" 64 . 1 36 TYR N 1 36 TYR CA 1 36 TYR C 1 37 ALA N -70.00 -18.22 -51.31 -55.26 -47.89 . . 0 "[ . 1 . 2]" 65 . 1 36 TYR C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -90.00 -39.46 -67.53 -68.51 -68.69 . . 0 "[ . 1 . 2]" 66 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 ASN N -70.00 -10.82 -33.15 -32.76 -33.64 . . 0 "[ . 1 . 2]" 67 . 1 37 ALA C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -90.00 -39.46 -61.60 -71.04 -52.09 . . 0 "[ . 1 . 2]" 68 . 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 ASP N -70.00 -18.76 -40.16 -48.10 -51.81 . . 0 "[ . 1 . 2]" 69 . 1 38 ASN C 1 39 ASP N 1 39 ASP CA 1 39 ASP C -80.00 -49.94 -68.46 -69.88 -70.70 0.19 7 0 "[ . 1 . 2]" 70 . 1 39 ASP N 1 39 ASP CA 1 39 ASP C 1 40 ASN N -50.00 2.64 -24.62 -38.83 -5.05 . . 0 "[ . 1 . 2]" 71 . 1 39 ASP C 1 40 ASN N 1 40 ASN CA 1 40 ASN C -120.00 -69.92 -95.23 -102.79 -108.73 . . 0 "[ . 1 . 2]" 72 . 1 40 ASN N 1 40 ASN CA 1 40 ASN C 1 41 GLY N -20.00 29.94 -6.16 -18.41 6.39 . . 0 "[ . 1 . 2]" 73 . 1 40 ASN C 1 41 GLY N 1 41 GLY CA 1 41 GLY C 50.00 117.02 79.84 73.51 69.69 . . 0 "[ . 1 . 2]" 74 . 1 41 GLY N 1 41 GLY CA 1 41 GLY C 1 42 VAL N -30.00 62.44 23.02 26.43 24.31 . . 0 "[ . 1 . 2]" 75 . 1 41 GLY C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -150.00 -83.24 -103.90 -106.15 -108.89 . . 0 "[ . 1 . 2]" 76 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 ASP N 100.00 154.38 116.14 100.39 129.44 . . 0 "[ . 1 . 2]" 77 . 1 42 VAL C 1 43 ASP N 1 43 ASP CA 1 43 ASP C -150.00 -65.70 -138.77 -139.64 -141.63 0.71 18 0 "[ . 1 . 2]" 78 . 1 43 ASP N 1 43 ASP CA 1 43 ASP C 1 44 GLY N 100.00 165.72 125.62 97.01 145.71 2.99 17 0 "[ . 1 . 2]" 79 . 1 43 ASP C 1 44 GLY N 1 44 GLY CA 1 44 GLY C -180.00 -89.68 -167.98 -151.64 -169.91 2.29 5 0 "[ . 1 . 2]" 80 . 1 44 GLY N 1 44 GLY CA 1 44 GLY C 1 45 GLU N 100.00 -173.44 -170.16 -170.43 -170.82 6.51 17 3 "[ *. 1 . +- 2]" 81 . 1 44 GLY C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -160.00 -54.88 -59.65 -59.19 -59.91 1.98 18 0 "[ . 1 . 2]" 82 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 TRP N 100.00 168.72 138.72 128.79 111.40 . . 0 "[ . 1 . 2]" 83 . 1 45 GLU C 1 46 TRP N 1 46 TRP CA 1 46 TRP C -150.00 -66.10 -108.55 -126.22 -75.49 . . 0 "[ . 1 . 2]" 84 . 1 46 TRP N 1 46 TRP CA 1 46 TRP C 1 47 THR N 100.00 154.24 114.75 99.14 141.36 0.86 2 0 "[ . 1 . 2]" 85 . 1 46 TRP C 1 47 THR N 1 47 THR CA 1 47 THR C -170.00 -87.00 -114.63 -135.91 -97.70 . . 0 "[ . 1 . 2]" 86 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 TYR N 110.00 -173.88 155.87 162.84 160.18 . . 0 "[ . 1 . 2]" 87 . 1 47 THR C 1 48 TYR N 1 48 TYR CA 1 48 TYR C -160.00 -83.74 -145.84 -156.19 -130.40 . . 0 "[ . 1 . 2]" 88 . 1 48 TYR N 1 48 TYR CA 1 48 TYR C 1 49 ASP N 100.00 174.64 146.13 149.60 148.01 . . 0 "[ . 1 . 2]" 89 . 1 48 TYR C 1 49 ASP N 1 49 ASP CA 1 49 ASP C -170.00 -95.16 -125.41 -140.34 -108.47 . . 0 "[ . 1 . 2]" 90 . 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1 50 ASP N 100.00 -135.32 135.13 132.98 131.80 . . 0 "[ . 1 . 2]" 91 . 1 49 ASP C 1 50 ASP N 1 50 ASP CA 1 50 ASP C -90.00 -32.54 -82.99 -92.77 -61.09 2.77 20 0 "[ . 1 . 2]" 92 . 1 50 ASP N 1 50 ASP CA 1 50 ASP C 1 51 ALA N -60.00 5.84 -22.09 -60.50 5.00 0.50 15 0 "[ . 1 . 2]" 93 . 1 50 ASP C 1 51 ALA N 1 51 ALA CA 1 51 ALA C -90.00 -39.88 -74.31 -71.30 -73.97 0.47 8 0 "[ . 1 . 2]" 94 . 1 51 ALA N 1 51 ALA CA 1 51 ALA C 1 52 THR N -50.00 0.32 -34.96 -26.60 -30.29 . . 0 "[ . 1 . 2]" 95 . 1 51 ALA C 1 52 THR N 1 52 THR CA 1 52 THR C -130.00 -61.50 -112.05 -130.95 -97.87 0.95 20 0 "[ . 1 . 2]" 96 . 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 LYS N -20.00 28.86 -5.65 -0.04 -2.27 . . 0 "[ . 1 . 2]" 97 . 1 52 THR C 1 53 LYS N 1 53 LYS CA 1 53 LYS C 40.00 70.00 57.36 43.45 66.85 . . 0 "[ . 1 . 2]" 98 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 THR N 10.00 79.60 35.10 13.05 49.87 . . 0 "[ . 1 . 2]" 99 . 1 53 LYS C 1 54 THR N 1 54 THR CA 1 54 THR C -140.00 -31.94 -100.37 -125.04 -77.42 . . 0 "[ . 1 . 2]" 100 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 TYR N 90.00 160.74 120.76 114.46 111.68 . . 0 "[ . 1 . 2]" 101 . 1 54 THR C 1 55 TYR N 1 55 TYR CA 1 55 TYR C -150.00 -84.20 -92.54 -84.92 -85.21 0.58 13 0 "[ . 1 . 2]" 102 . 1 55 TYR N 1 55 TYR CA 1 55 TYR C 1 56 THR N 100.00 153.92 132.55 129.70 128.29 . . 0 "[ . 1 . 2]" 103 . 1 55 TYR C 1 56 THR N 1 56 THR CA 1 56 THR C -150.00 -81.08 -123.75 -142.07 -111.31 . . 0 "[ . 1 . 2]" 104 . 1 56 THR N 1 56 THR CA 1 56 THR C 1 57 VAL N 100.00 149.32 123.93 111.55 133.60 . . 0 "[ . 1 . 2]" 105 . 1 56 THR C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -140.00 -85.66 -110.56 -112.11 -113.45 . . 0 "[ . 1 . 2]" 106 . 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 THR N 100.00 151.56 113.84 109.12 106.16 . . 0 "[ . 1 . 2]" 107 . 1 57 VAL C 1 58 THR N 1 58 THR CA 1 58 THR C -150.00 -94.66 -109.19 -124.37 -97.99 . . 0 "[ . 1 . 2]" 108 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 GLU N 100.00 150.50 124.91 128.50 126.66 . . 0 "[ . 1 . 2]" 109 . 1 58 THR C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -150.00 -64.62 -77.22 -95.94 -63.08 1.54 4 0 "[ . 1 . 2]" 110 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 GLY N 90.00 152.72 125.29 95.70 90.29 1.73 18 0 "[ . 1 . 2]" 111 . 1 59 GLU C 1 60 GLY N 1 60 GLY CA 1 60 GLY C 170.00 -110.82 -141.30 -163.21 154.26 86.69 6 13 "[** -.+** ** ** ***]" 112 . 1 60 GLY N 1 60 GLY CA 1 60 GLY C 1 61 SER N 110.00 -133.68 139.08 106.38 -161.47 3.62 5 0 "[ . 1 . 2]" 113 . 1 62 GLY C 1 63 GLY N 1 63 GLY CA 1 63 GLY C -130.00 -40.14 -98.07 -103.49 -113.95 1.21 8 0 "[ . 1 . 2]" 114 . 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 ALA N -40.00 29.56 -8.44 -15.90 -23.53 1.17 7 0 "[ . 1 . 2]" 115 . 1 65 GLY C 1 66 GLY N 1 66 GLY CA 1 66 GLY C -130.00 -40.34 -90.53 -75.04 -79.26 . . 0 "[ . 1 . 2]" 116 . 1 66 GLY N 1 66 GLY CA 1 66 GLY C 1 67 GLN N -40.00 32.14 -9.92 -41.21 35.39 3.25 11 0 "[ . 1 . 2]" 117 . 1 70 ILE C 1 71 GLN N 1 71 GLN CA 1 71 GLN C -130.00 -23.48 -110.23 -114.67 -120.21 0.45 15 0 "[ . 1 . 2]" 118 . 1 71 GLN N 1 71 GLN CA 1 71 GLN C 1 72 GLU N -60.00 20.78 16.37 7.16 24.03 3.25 13 0 "[ . 1 . 2]" 119 . 1 71 GLN C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -110.00 -38.00 -85.76 -104.76 -108.80 0.91 1 0 "[ . 1 . 2]" 120 . 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 PRO N 120.00 -173.18 145.56 126.88 169.53 . . 0 "[ . 1 . 2]" 121 . 1 72 GLU C 1 73 PRO N 1 73 PRO CA 1 73 PRO C -90.00 -39.28 -75.63 -89.21 -62.84 . . 0 "[ . 1 . 2]" 122 . 1 73 PRO N 1 73 PRO CA 1 73 PRO C 1 74 ALA N 120.00 -173.68 173.53 150.36 -171.42 2.26 20 0 "[ . 1 . 2]" 123 . 1 74 ALA C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -100.00 -48.32 -86.79 -78.94 -83.08 2.05 19 0 "[ . 1 . 2]" 124 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 PRO N 110.00 178.58 141.02 146.83 139.40 . . 0 "[ . 1 . 2]" 125 . 1 75 LEU C 1 76 PRO N 1 76 PRO CA 1 76 PRO C -100.00 -32.76 -67.09 -72.53 -74.51 . . 0 "[ . 1 . 2]" 126 . 1 76 PRO N 1 76 PRO CA 1 76 PRO C 1 77 PRO N 100.00 -178.28 154.74 159.55 158.03 . . 0 "[ . 1 . 2]" 127 . 1 76 PRO C 1 77 PRO N 1 77 PRO CA 1 77 PRO C -100.00 -20.46 -52.34 -64.42 -41.43 . . 0 "[ . 1 . 2]" 128 . 1 77 PRO N 1 77 PRO CA 1 77 PRO C 1 78 GLY N 110.00 170.48 126.40 119.17 131.01 . . 0 "[ . 1 . 2]" 129 . 1 77 PRO C 1 78 GLY N 1 78 GLY CA 1 78 GLY C 50.00 117.92 94.95 91.13 83.18 . . 0 "[ . 1 . 2]" 130 . 1 78 GLY N 1 78 GLY CA 1 78 GLY C 1 79 TRP N -30.00 24.96 -21.95 -30.56 4.05 0.56 11 0 "[ . 1 . 2]" 131 . 1 78 GLY C 1 79 TRP N 1 79 TRP CA 1 79 TRP C -150.00 -11.58 -91.79 -98.30 -107.30 . . 0 "[ . 1 . 2]" 132 . 1 79 TRP N 1 79 TRP CA 1 79 TRP C 1 80 GLU N 100.00 176.84 135.30 114.63 147.27 . . 0 "[ . 1 . 2]" 133 . 1 79 TRP C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -170.00 -97.72 -123.14 -116.53 -120.49 . . 0 "[ . 1 . 2]" 134 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 MET N 100.00 164.96 144.99 136.69 132.72 . . 0 "[ . 1 . 2]" 135 . 1 80 GLU C 1 81 MET N 1 81 MET CA 1 81 MET C -150.00 -64.44 -121.06 -138.33 -94.86 . . 0 "[ . 1 . 2]" 136 . 1 81 MET N 1 81 MET CA 1 81 MET C 1 82 LYS N 100.00 151.44 125.51 112.47 106.72 . . 0 "[ . 1 . 2]" 137 . 1 81 MET C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -160.00 -101.32 -145.85 -161.73 -133.97 1.73 4 0 "[ . 1 . 2]" 138 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 TYR N 120.00 -170.18 157.17 157.34 157.06 . . 0 "[ . 1 . 2]" 139 . 1 82 LYS C 1 83 TYR N 1 83 TYR CA 1 83 TYR C -150.00 -84.16 -110.18 -111.86 -112.26 . . 0 "[ . 1 . 2]" 140 . 1 83 TYR N 1 83 TYR CA 1 83 TYR C 1 84 THR N 100.00 168.68 153.43 157.10 153.92 . . 0 "[ . 1 . 2]" 141 . 1 84 THR C 1 85 SER N 1 85 SER CA 1 85 SER C -90.00 -37.84 -75.74 -90.46 -57.79 0.46 2 0 "[ . 1 . 2]" 142 . 1 85 SER N 1 85 SER CA 1 85 SER C 1 86 GLU N -50.00 16.66 -1.28 10.87 9.56 . . 0 "[ . 1 . 2]" 143 . 1 85 SER C 1 86 GLU N 1 86 GLU CA 1 86 GLU C -120.00 -54.60 -112.80 -120.23 -120.67 2.58 12 0 "[ . 1 . 2]" 144 . 1 86 GLU N 1 86 GLU CA 1 86 GLU C 1 87 GLY N -20.00 20.38 3.42 -2.91 14.00 . . 0 "[ . 1 . 2]" 145 . 1 86 GLU C 1 87 GLY N 1 87 GLY CA 1 87 GLY C 60.00 110.30 88.34 91.74 90.84 . . 0 "[ . 1 . 2]" 146 . 1 87 GLY N 1 87 GLY CA 1 87 GLY C 1 88 VAL N -20.00 47.42 12.58 -12.91 25.92 . . 0 "[ . 1 . 2]" 147 . 1 87 GLY C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -120.00 -21.12 -85.15 -72.46 -78.36 . . 0 "[ . 1 . 2]" 148 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 ARG N 90.00 -175.04 134.97 123.41 146.55 . . 0 "[ . 1 . 2]" 149 . 1 88 VAL C 1 89 ARG N 1 89 ARG CA 1 89 ARG C -120.00 -69.48 -91.84 -111.39 -69.79 . . 0 "[ . 1 . 2]" 150 . 1 89 ARG N 1 89 ARG CA 1 89 ARG C 1 90 TYR N 100.00 169.98 126.53 114.99 145.07 . . 0 "[ . 1 . 2]" 151 . 1 89 ARG C 1 90 TYR N 1 90 TYR CA 1 90 TYR C -170.00 -119.60 -132.62 -127.76 -131.14 . . 0 "[ . 1 . 2]" 152 . 1 90 TYR N 1 90 TYR CA 1 90 TYR C 1 91 PHE N 130.00 -162.30 155.81 151.32 160.78 . . 0 "[ . 1 . 2]" 153 . 1 90 TYR C 1 91 PHE N 1 91 PHE CA 1 91 PHE C -150.00 -80.30 -114.61 -123.32 -98.10 . . 0 "[ . 1 . 2]" 154 . 1 91 PHE N 1 91 PHE CA 1 91 PHE C 1 92 VAL N 100.00 169.92 151.02 141.70 159.90 . . 0 "[ . 1 . 2]" 155 . 1 91 PHE C 1 92 VAL N 1 92 VAL CA 1 92 VAL C -170.00 -76.42 -121.19 -116.50 -117.96 . . 0 "[ . 1 . 2]" 156 . 1 92 VAL N 1 92 VAL CA 1 92 VAL C 1 93 ASP N 90.00 173.46 114.69 102.80 130.89 . . 0 "[ . 1 . 2]" 157 . 1 92 VAL C 1 93 ASP N 1 93 ASP CA 1 93 ASP C -140.00 -69.20 -81.37 -73.35 -74.18 . . 0 "[ . 1 . 2]" 158 . 1 93 ASP N 1 93 ASP CA 1 93 ASP C 1 94 HIS N 80.00 150.12 102.59 78.44 133.67 1.56 17 0 "[ . 1 . 2]" 159 . 1 93 ASP C 1 94 HIS N 1 94 HIS CA 1 94 HIS C -90.00 -27.98 -75.30 -72.52 -72.70 . . 0 "[ . 1 . 2]" 160 . 1 94 HIS N 1 94 HIS CA 1 94 HIS C 1 95 ASN N -50.00 6.12 -12.04 -5.58 -11.47 0.46 8 0 "[ . 1 . 2]" 161 . 1 94 HIS C 1 95 ASN N 1 95 ASN CA 1 95 ASN C -100.00 -30.10 -79.77 -92.32 -71.84 . . 0 "[ . 1 . 2]" 162 . 1 95 ASN N 1 95 ASN CA 1 95 ASN C 1 96 THR N -50.00 -0.10 -37.99 -31.00 -33.92 0.81 8 0 "[ . 1 . 2]" 163 . 1 95 ASN C 1 96 THR N 1 96 THR CA 1 96 THR C -120.00 -61.74 -105.23 -120.85 -90.06 0.85 16 0 "[ . 1 . 2]" 164 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 ARG N -30.00 20.36 -10.15 -6.64 -6.84 . . 0 "[ . 1 . 2]" 165 . 1 96 THR C 1 97 ARG N 1 97 ARG CA 1 97 ARG C 40.00 70.00 62.33 62.31 61.01 . . 0 "[ . 1 . 2]" 166 . 1 97 ARG N 1 97 ARG CA 1 97 ARG C 1 98 THR N 10.00 76.04 57.77 30.08 77.45 1.41 12 0 "[ . 1 . 2]" 167 . 1 97 ARG C 1 98 THR N 1 98 THR CA 1 98 THR C -160.00 -87.08 -135.70 -122.23 -133.58 0.94 6 0 "[ . 1 . 2]" 168 . 1 98 THR N 1 98 THR CA 1 98 THR C 1 99 THR N 100.00 -162.38 160.42 142.44 177.84 . . 0 "[ . 1 . 2]" 169 . 1 98 THR C 1 99 THR N 1 99 THR CA 1 99 THR C -150.00 -80.02 -109.57 -98.15 -103.51 . . 0 "[ . 1 . 2]" 170 . 1 99 THR N 1 99 THR CA 1 99 THR C 1 100 THR N 100.00 150.12 128.86 101.52 147.92 . . 0 "[ . 1 . 2]" 171 . 1 99 THR C 1 100 THR N 1 100 THR CA 1 100 THR C -150.00 -78.32 -133.39 -132.09 -139.56 1.09 7 0 "[ . 1 . 2]" 172 . 1 100 THR N 1 100 THR CA 1 100 THR C 1 101 PHE N 90.00 158.04 151.69 144.95 139.74 1.55 16 0 "[ . 1 . 2]" 173 . 1 100 THR C 1 101 PHE N 1 101 PHE CA 1 101 PHE C -130.00 -41.70 -105.74 -122.83 -84.45 . . 0 "[ . 1 . 2]" 174 . 1 101 PHE N 1 101 PHE CA 1 101 PHE C 1 102 LYS N 100.00 150.80 104.67 96.76 153.48 3.24 12 0 "[ . 1 . 2]" 175 . 1 101 PHE C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -140.00 -59.04 -124.48 -144.15 -51.78 7.26 20 1 "[ . 1 . +]" 176 . 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 ASP N 90.00 155.82 114.75 99.90 94.85 1.81 20 0 "[ . 1 . 2]" 177 . 1 102 LYS C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -120.00 -41.22 -100.31 -111.55 -116.81 3.20 16 0 "[ . 1 . 2]" 178 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C 1 104 PRO N 100.00 152.24 135.69 110.61 148.02 . . 0 "[ . 1 . 2]" 179 . 1 103 ASP C 1 104 PRO N 1 104 PRO CA 1 104 PRO C -90.00 -38.98 -66.16 -86.40 -49.05 . . 0 "[ . 1 . 2]" 180 . 1 104 PRO N 1 104 PRO CA 1 104 PRO C 1 105 ARG N -50.00 18.78 -22.02 -46.87 16.98 . . 0 "[ . 1 . 2]" 181 . 1 104 PRO C 1 105 ARG N 1 105 ARG CA 1 105 ARG C -110.00 -56.38 -100.54 -112.93 -71.25 2.93 20 0 "[ . 1 . 2]" 182 . 1 105 ARG N 1 105 ARG CA 1 105 ARG C 1 106 PRO N 110.00 -160.68 117.48 121.75 115.11 2.53 12 0 "[ . 1 . 2]" 183 . 1 105 ARG C 1 106 PRO N 1 106 PRO CA 1 106 PRO C -80.00 -30.00 -64.35 -70.93 -74.43 . . 0 "[ . 1 . 2]" 184 . 1 106 PRO N 1 106 PRO CA 1 106 PRO C 1 107 GLY N 120.00 150.00 123.13 118.34 135.86 1.66 17 0 "[ . 1 . 2]" 185 . 1 106 PRO C 1 107 GLY N 1 107 GLY CA 1 107 GLY C 50.00 137.90 83.53 82.93 80.21 . . 0 "[ . 1 . 2]" 186 . 1 107 GLY N 1 107 GLY CA 1 107 GLY C 1 108 PHE N -40.00 12.10 -25.39 -36.45 15.52 3.42 13 0 "[ . 1 . 2]" stop_ save_
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