NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
562612 | 2lwf | 18624 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lwf save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 170 _TA_constraint_stats_list.Viol_count 204 _TA_constraint_stats_list.Viol_total 2457.57 _TA_constraint_stats_list.Viol_max 3.29 _TA_constraint_stats_list.Viol_rms 0.19 _TA_constraint_stats_list.Viol_average_all_restraints 0.04 _TA_constraint_stats_list.Viol_average_violations_only 0.60 _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 LYS C 1 7 SER N 1 7 SER CA 1 7 SER C -149.50 -25.50 -118.29 -149.65 -72.93 0.15 5 0 "[ . 1 . 2]" 2 . 1 7 SER N 1 7 SER CA 1 7 SER C 1 8 LEU N 102.60 -174.20 170.36 175.49 172.48 0.05 15 0 "[ . 1 . 2]" 3 . 1 7 SER C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -76.40 -36.40 -61.85 -73.93 -46.52 . . 0 "[ . 1 . 2]" 4 . 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 THR N -73.10 -12.70 -25.01 -25.27 -26.21 . . 0 "[ . 1 . 2]" 5 . 1 8 LEU C 1 9 THR N 1 9 THR CA 1 9 THR C -91.90 -47.30 -64.11 -72.28 -55.97 . . 0 "[ . 1 . 2]" 6 . 1 9 THR N 1 9 THR CA 1 9 THR C 1 10 GLU N -50.70 -3.90 -25.53 -44.16 -15.85 . . 0 "[ . 1 . 2]" 7 . 1 9 THR C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -119.20 -79.20 -98.93 -98.93 -101.84 . . 0 "[ . 1 . 2]" 8 . 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 THR N -20.30 23.90 -0.20 -20.53 13.13 0.23 2 0 "[ . 1 . 2]" 9 . 1 10 GLU C 1 11 THR N 1 11 THR CA 1 11 THR C -113.30 -41.10 -92.39 -85.58 -91.29 1.03 15 0 "[ . 1 . 2]" 10 . 1 11 THR N 1 11 THR CA 1 11 THR C 1 12 GLU N 115.30 155.30 140.56 154.35 150.50 . . 0 "[ . 1 . 2]" 11 . 1 12 GLU C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -149.20 -67.40 -110.28 -119.00 -103.13 . . 0 "[ . 1 . 2]" 12 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 LEU N 100.50 160.90 129.91 121.22 134.80 . . 0 "[ . 1 . 2]" 13 . 1 13 LEU C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -138.10 -52.50 -124.16 -125.73 -126.44 . . 0 "[ . 1 . 2]" 14 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 PRO N 88.50 159.10 132.86 120.70 141.53 . . 0 "[ . 1 . 2]" 15 . 1 14 LEU C 1 15 PRO N 1 15 PRO CA 1 15 PRO C -81.70 -41.70 -68.91 -68.27 -69.50 . . 0 "[ . 1 . 2]" 16 . 1 15 PRO N 1 15 PRO CA 1 15 PRO C 1 16 ILE N 124.50 164.50 141.57 143.84 143.53 . . 0 "[ . 1 . 2]" 17 . 1 15 PRO C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -82.20 -42.20 -73.03 -66.40 -69.16 . . 0 "[ . 1 . 2]" 18 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 THR N -45.10 -5.10 -12.10 -14.46 -15.74 0.10 20 0 "[ . 1 . 2]" 19 . 1 16 ILE C 1 17 THR N 1 17 THR CA 1 17 THR C -119.00 -50.60 -70.77 -78.42 -65.58 . . 0 "[ . 1 . 2]" 20 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 GLU N -38.10 16.30 -26.89 -26.70 -28.86 1.48 6 0 "[ . 1 . 2]" 21 . 1 17 THR C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -133.00 -60.80 -101.40 -92.97 -93.16 . . 0 "[ . 1 . 2]" 22 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 ALA N -52.80 52.80 51.52 30.58 56.09 3.29 12 0 "[ . 1 . 2]" 23 . 1 18 GLU C 1 19 ALA N 1 19 ALA CA 1 19 ALA C -83.20 -38.20 -57.72 -49.53 -53.30 . . 0 "[ . 1 . 2]" 24 . 1 19 ALA N 1 19 ALA CA 1 19 ALA C 1 20 ASP N -58.70 -12.90 -24.28 -40.33 -17.57 . . 0 "[ . 1 . 2]" 25 . 1 19 ALA C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -86.80 -46.80 -70.46 -78.55 -56.36 . . 0 "[ . 1 . 2]" 26 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 SER N -58.30 9.30 -23.97 -24.97 -26.02 . . 0 "[ . 1 . 2]" 27 . 1 20 ASP C 1 21 SER N 1 21 SER CA 1 21 SER C -109.30 -61.90 -92.27 -103.65 -83.09 . . 0 "[ . 1 . 2]" 28 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 ILE N -34.90 12.30 2.27 -6.97 12.59 0.29 5 0 "[ . 1 . 2]" 29 . 1 21 SER C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -151.10 -43.10 -77.13 -65.38 -67.43 . . 0 "[ . 1 . 2]" 30 . 1 22 ILE N 1 22 ILE CA 1 22 ILE C 1 23 PRO N 60.00 169.00 126.76 133.91 130.59 . . 0 "[ . 1 . 2]" 31 . 1 22 ILE C 1 23 PRO N 1 23 PRO CA 1 23 PRO C -91.90 -51.90 -53.97 -52.30 -52.90 0.40 8 0 "[ . 1 . 2]" 32 . 1 23 PRO N 1 23 PRO CA 1 23 PRO C 1 24 SER N 130.90 170.90 132.48 129.61 140.39 1.29 6 0 "[ . 1 . 2]" 33 . 1 24 SER C 1 25 ALA N 1 25 ALA CA 1 25 ALA C 176.10 -98.50 -112.68 -148.89 -97.25 1.25 10 0 "[ . 1 . 2]" 34 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 SER N 131.80 -177.00 -178.90 179.36 177.79 1.01 10 0 "[ . 1 . 2]" 35 . 1 25 ALA C 1 26 SER N 1 26 SER CA 1 26 SER C 178.30 -91.70 -96.65 -104.42 -91.18 0.52 3 0 "[ . 1 . 2]" 36 . 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 GLY N 135.00 175.00 143.20 143.34 142.15 0.26 7 0 "[ . 1 . 2]" 37 . 1 27 GLY C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -160.10 -107.10 -119.35 -115.78 -119.31 . . 0 "[ . 1 . 2]" 38 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 TYR N 137.50 179.70 149.82 150.28 149.78 . . 0 "[ . 1 . 2]" 39 . 1 28 VAL C 1 29 TYR N 1 29 TYR CA 1 29 TYR C -166.40 -126.40 -139.95 -145.61 -135.95 . . 0 "[ . 1 . 2]" 40 . 1 29 TYR N 1 29 TYR CA 1 29 TYR C 1 30 ALA N 125.40 177.40 151.75 146.06 160.24 . . 0 "[ . 1 . 2]" 41 . 1 29 TYR C 1 30 ALA N 1 30 ALA CA 1 30 ALA C -171.00 -96.80 -125.52 -141.02 -118.26 . . 0 "[ . 1 . 2]" 42 . 1 30 ALA N 1 30 ALA CA 1 30 ALA C 1 31 VAL N 100.80 174.00 121.82 120.59 118.65 . . 0 "[ . 1 . 2]" 43 . 1 30 ALA C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -145.30 -82.70 -96.74 -106.61 -89.00 . . 0 "[ . 1 . 2]" 44 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 TYR N 103.50 143.50 120.90 114.23 127.59 . . 0 "[ . 1 . 2]" 45 . 1 31 VAL C 1 32 TYR N 1 32 TYR CA 1 32 TYR C -146.50 -84.50 -108.91 -107.40 -108.52 . . 0 "[ . 1 . 2]" 46 . 1 32 TYR N 1 32 TYR CA 1 32 TYR C 1 33 ASP N 102.70 164.10 135.73 132.58 132.06 . . 0 "[ . 1 . 2]" 47 . 1 32 TYR C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -105.60 -62.40 -82.40 -95.20 -76.91 . . 0 "[ . 1 . 2]" 48 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 LYS N 138.30 -146.70 -170.04 -173.26 -175.08 . . 0 "[ . 1 . 2]" 49 . 1 33 ASP C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -83.60 -43.60 -62.40 -57.22 -57.70 . . 0 "[ . 1 . 2]" 50 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 SER N -42.80 14.80 -24.87 -41.46 3.18 . . 0 "[ . 1 . 2]" 51 . 1 34 LYS C 1 35 SER N 1 35 SER CA 1 35 SER C -121.80 -73.60 -87.23 -90.72 -91.74 . . 0 "[ . 1 . 2]" 52 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 ASP N -4.60 35.40 2.36 7.42 4.78 . . 0 "[ . 1 . 2]" 53 . 1 37 GLU C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -103.10 -55.50 -81.61 -85.89 -89.69 . . 0 "[ . 1 . 2]" 54 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 GLN N 82.80 152.40 118.75 124.57 119.64 . . 0 "[ . 1 . 2]" 55 . 1 38 LEU C 1 39 GLN N 1 39 GLN CA 1 39 GLN C -128.10 -76.10 -119.60 -129.10 -105.13 1.00 9 0 "[ . 1 . 2]" 56 . 1 39 GLN N 1 39 GLN CA 1 39 GLN C 1 40 PHE N -54.90 -14.90 -26.72 -47.13 -13.21 1.69 7 0 "[ . 1 . 2]" 57 . 1 39 GLN C 1 40 PHE N 1 40 PHE CA 1 40 PHE C -165.90 -125.90 -139.71 -131.60 -143.63 1.80 11 0 "[ . 1 . 2]" 58 . 1 40 PHE N 1 40 PHE CA 1 40 PHE C 1 41 VAL N 115.20 155.20 125.59 118.15 115.25 0.24 7 0 "[ . 1 . 2]" 59 . 1 40 PHE C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -164.30 -76.50 -116.27 -132.54 -98.55 . . 0 "[ . 1 . 2]" 60 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 GLY N 71.60 -167.60 145.07 146.31 145.29 . . 0 "[ . 1 . 2]" 61 . 1 42 GLY C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -166.20 -85.80 -118.16 -133.14 -110.56 . . 0 "[ . 1 . 2]" 62 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 SER N 133.10 -179.50 144.14 144.01 141.13 . . 0 "[ . 1 . 2]" 63 . 1 43 ILE C 1 44 SER N 1 44 SER CA 1 44 SER C 167.40 -70.80 -152.30 -150.03 -150.41 . . 0 "[ . 1 . 2]" 64 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 ARG N 104.30 -179.90 159.95 136.41 170.36 . . 0 "[ . 1 . 2]" 65 . 1 45 ARG C 1 46 ASN N 1 46 ASN CA 1 46 ASN C -142.10 -47.50 -137.37 -142.93 -127.39 0.83 6 0 "[ . 1 . 2]" 66 . 1 46 ASN N 1 46 ASN CA 1 46 ASN C 1 47 ILE N 73.20 -178.20 97.69 84.74 109.31 . . 0 "[ . 1 . 2]" 67 . 1 46 ASN C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -75.20 -35.20 -53.69 -56.76 -57.83 . . 0 "[ . 1 . 2]" 68 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 ALA N -66.00 -26.00 -56.83 -55.32 -56.94 . . 0 "[ . 1 . 2]" 69 . 1 47 ILE C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -81.60 -41.60 -48.89 -52.85 -44.69 . . 0 "[ . 1 . 2]" 70 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 ALA N -62.60 -22.60 -48.97 -44.48 -46.22 . . 0 "[ . 1 . 2]" 71 . 1 48 ALA C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -84.80 -44.80 -63.29 -73.54 -58.18 . . 0 "[ . 1 . 2]" 72 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 SER N -57.70 -17.70 -46.30 -57.91 -34.29 0.21 5 0 "[ . 1 . 2]" 73 . 1 49 ALA C 1 50 SER N 1 50 SER CA 1 50 SER C -87.10 -47.10 -66.80 -79.53 -58.74 . . 0 "[ . 1 . 2]" 74 . 1 50 SER N 1 50 SER CA 1 50 SER C 1 51 VAL N -61.00 -21.00 -47.80 -46.38 -47.84 0.18 16 0 "[ . 1 . 2]" 75 . 1 50 SER C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -82.40 -42.40 -57.53 -61.70 -54.66 . . 0 "[ . 1 . 2]" 76 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 SER N -64.80 -24.80 -55.27 -60.19 -51.61 . . 0 "[ . 1 . 2]" 77 . 1 51 VAL C 1 52 SER N 1 52 SER CA 1 52 SER C -79.90 -39.90 -60.21 -58.56 -59.48 . . 0 "[ . 1 . 2]" 78 . 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 ALA N -62.10 -22.10 -41.80 -47.77 -32.06 . . 0 "[ . 1 . 2]" 79 . 1 52 SER C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -84.50 -44.50 -58.66 -63.26 -65.51 . . 0 "[ . 1 . 2]" 80 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 HIS N -61.00 -21.00 -57.23 -56.43 -58.18 0.77 7 0 "[ . 1 . 2]" 81 . 1 53 ALA C 1 54 HIS N 1 54 HIS CA 1 54 HIS C -87.40 -47.40 -76.27 -81.95 -71.53 . . 0 "[ . 1 . 2]" 82 . 1 54 HIS N 1 54 HIS CA 1 54 HIS C 1 55 LEU N -62.30 -22.30 -24.77 -30.80 -21.68 0.62 10 0 "[ . 1 . 2]" 83 . 1 54 HIS C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -87.90 -47.90 -76.78 -76.63 -77.62 . . 0 "[ . 1 . 2]" 84 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 LYS N -64.30 -24.30 -28.22 -24.49 -24.82 0.33 11 0 "[ . 1 . 2]" 85 . 1 55 LEU C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -102.40 -33.60 -84.40 -89.46 -75.62 . . 0 "[ . 1 . 2]" 86 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 SER N -65.70 -1.30 -17.01 -11.21 -15.10 . . 0 "[ . 1 . 2]" 87 . 1 56 LYS C 1 57 SER N 1 57 SER CA 1 57 SER C -109.70 -50.30 -83.12 -95.28 -72.89 . . 0 "[ . 1 . 2]" 88 . 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 VAL N -76.60 24.60 -46.47 -43.62 -46.26 . . 0 "[ . 1 . 2]" 89 . 1 57 SER C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -174.50 -88.50 -131.83 -152.73 -113.27 . . 0 "[ . 1 . 2]" 90 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 PRO N 28.40 140.40 94.60 90.56 85.00 . . 0 "[ . 1 . 2]" 91 . 1 59 PRO C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -84.40 -44.40 -63.72 -63.42 -64.52 . . 0 "[ . 1 . 2]" 92 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 LEU N -42.70 -2.70 -39.51 -44.36 -28.27 1.66 5 0 "[ . 1 . 2]" 93 . 1 60 GLU C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -119.60 -79.60 -103.66 -119.94 -88.16 0.34 4 0 "[ . 1 . 2]" 94 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 CYS N -21.90 20.30 19.61 10.98 21.87 1.57 13 0 "[ . 1 . 2]" 95 . 1 63 GLY C 1 64 SER N 1 64 SER CA 1 64 SER C 179.40 -62.80 -159.49 -160.05 -161.43 . . 0 "[ . 1 . 2]" 96 . 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 VAL N 93.40 -159.20 162.92 152.49 173.17 . . 0 "[ . 1 . 2]" 97 . 1 64 SER C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -151.20 -102.40 -138.82 -144.82 -132.23 . . 0 "[ . 1 . 2]" 98 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 LYS N 131.20 178.80 138.51 133.97 142.32 . . 0 "[ . 1 . 2]" 99 . 1 65 VAL C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -165.80 -107.00 -106.91 -109.44 -105.67 1.33 13 0 "[ . 1 . 2]" 100 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 VAL N 125.20 165.20 132.91 125.54 142.21 . . 0 "[ . 1 . 2]" 101 . 1 66 LYS C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -159.80 -111.00 -120.69 -114.51 -115.34 . . 0 "[ . 1 . 2]" 102 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 GLY N 105.80 156.20 134.35 126.00 139.35 . . 0 "[ . 1 . 2]" 103 . 1 68 GLY C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -128.70 -57.70 -86.72 -88.06 -89.27 . . 0 "[ . 1 . 2]" 104 . 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 VAL N 101.10 151.30 114.90 133.22 121.94 . . 0 "[ . 1 . 2]" 105 . 1 69 ILE C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -124.70 -79.70 -105.44 -125.33 -83.33 0.63 15 0 "[ . 1 . 2]" 106 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 GLU N 93.00 175.60 138.75 138.30 134.56 . . 0 "[ . 1 . 2]" 107 . 1 70 VAL C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -117.70 -56.70 -75.50 -95.61 -58.63 . . 0 "[ . 1 . 2]" 108 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 GLU N -62.70 8.30 -22.13 4.51 -0.62 0.10 9 0 "[ . 1 . 2]" 109 . 1 71 GLU C 1 72 GLU N 1 72 GLU CA 1 72 GLU C 179.10 -53.30 -99.81 -127.08 -75.08 . . 0 "[ . 1 . 2]" 110 . 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 PRO N 63.60 -164.60 109.77 84.31 146.55 . . 0 "[ . 1 . 2]" 111 . 1 73 PRO C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -108.40 -65.80 -78.16 -97.64 -67.15 . . 0 "[ . 1 . 2]" 112 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 LYS N 121.70 -173.30 136.98 133.56 131.39 0.41 16 0 "[ . 1 . 2]" 113 . 1 74 ASP C 1 75 LYS N 1 75 LYS CA 1 75 LYS C -80.20 -40.20 -58.91 -62.51 -67.15 . . 0 "[ . 1 . 2]" 114 . 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1 76 ALA N -54.90 -14.90 -33.06 -28.40 -29.98 . . 0 "[ . 1 . 2]" 115 . 1 75 LYS C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -87.60 -47.60 -72.22 -74.02 -74.72 . . 0 "[ . 1 . 2]" 116 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 VAL N -58.60 -16.40 -42.07 -50.42 -33.34 . . 0 "[ . 1 . 2]" 117 . 1 76 ALA C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -94.70 -46.10 -67.85 -79.52 -59.09 . . 0 "[ . 1 . 2]" 118 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 LEU N -60.10 -12.90 -38.95 -42.51 -43.07 . . 0 "[ . 1 . 2]" 119 . 1 77 VAL C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -84.50 -44.50 -61.24 -66.52 -57.25 . . 0 "[ . 1 . 2]" 120 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 THR N -60.70 -20.70 -49.13 -46.73 -47.73 . . 0 "[ . 1 . 2]" 121 . 1 78 LEU C 1 79 THR N 1 79 THR CA 1 79 THR C -83.10 -43.10 -67.62 -71.94 -60.78 . . 0 "[ . 1 . 2]" 122 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 GLN N -62.20 -22.20 -33.68 -31.10 -32.14 . . 0 "[ . 1 . 2]" 123 . 1 79 THR C 1 80 GLN N 1 80 GLN CA 1 80 GLN C -82.70 -42.70 -63.65 -63.69 -64.35 . . 0 "[ . 1 . 2]" 124 . 1 80 GLN N 1 80 GLN CA 1 80 GLN C 1 81 ALA N -60.60 -20.60 -50.54 -56.70 -44.78 . . 0 "[ . 1 . 2]" 125 . 1 80 GLN C 1 81 ALA N 1 81 ALA CA 1 81 ALA C -84.00 -44.00 -62.32 -66.21 -58.83 . . 0 "[ . 1 . 2]" 126 . 1 81 ALA N 1 81 ALA CA 1 81 ALA C 1 82 TRP N -63.20 -23.20 -43.08 -42.39 -43.61 . . 0 "[ . 1 . 2]" 127 . 1 81 ALA C 1 82 TRP N 1 82 TRP CA 1 82 TRP C -82.30 -42.30 -53.27 -56.40 -49.17 . . 0 "[ . 1 . 2]" 128 . 1 82 TRP N 1 82 TRP CA 1 82 TRP C 1 83 LYS N -65.60 -25.60 -46.61 -50.95 -43.32 . . 0 "[ . 1 . 2]" 129 . 1 82 TRP C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -79.10 -39.10 -62.71 -57.79 -59.97 . . 0 "[ . 1 . 2]" 130 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 LEU N -63.30 -23.30 -48.20 -58.51 -38.24 . . 0 "[ . 1 . 2]" 131 . 1 83 LYS C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -83.80 -43.80 -60.05 -59.20 -60.36 . . 0 "[ . 1 . 2]" 132 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 TRP N -60.40 -20.40 -44.50 -56.92 -37.12 . . 0 "[ . 1 . 2]" 133 . 1 84 LEU C 1 85 TRP N 1 85 TRP CA 1 85 TRP C -85.10 -45.10 -62.39 -59.32 -61.48 . . 0 "[ . 1 . 2]" 134 . 1 85 TRP N 1 85 TRP CA 1 85 TRP C 1 86 ILE N -65.70 -25.70 -50.08 -52.35 -53.08 . . 0 "[ . 1 . 2]" 135 . 1 85 TRP C 1 86 ILE N 1 86 ILE CA 1 86 ILE C -84.50 -44.50 -64.81 -70.21 -59.19 . . 0 "[ . 1 . 2]" 136 . 1 86 ILE N 1 86 ILE CA 1 86 ILE C 1 87 GLU N -62.30 -22.30 -43.08 -51.07 -39.07 . . 0 "[ . 1 . 2]" 137 . 1 86 ILE C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -82.50 -42.50 -63.27 -68.64 -56.01 . . 0 "[ . 1 . 2]" 138 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 GLU N -58.30 -18.30 -33.81 -34.44 -36.44 . . 0 "[ . 1 . 2]" 139 . 1 87 GLU C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -86.50 -46.50 -58.37 -67.31 -46.39 0.11 12 0 "[ . 1 . 2]" 140 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 HIS N -61.40 -21.40 -45.74 -44.49 -45.95 . . 0 "[ . 1 . 2]" 141 . 1 88 GLU C 1 89 HIS N 1 89 HIS CA 1 89 HIS C -83.20 -43.20 -77.77 -75.41 -76.28 0.26 6 0 "[ . 1 . 2]" 142 . 1 89 HIS N 1 89 HIS CA 1 89 HIS C 1 90 ILE N -61.50 -21.50 -27.28 -28.45 -29.54 0.31 7 0 "[ . 1 . 2]" 143 . 1 89 HIS C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -85.60 -45.60 -63.44 -76.85 -57.06 . . 0 "[ . 1 . 2]" 144 . 1 90 ILE N 1 90 ILE CA 1 90 ILE C 1 91 LYS N -62.40 -22.40 -41.40 -53.51 -26.77 . . 0 "[ . 1 . 2]" 145 . 1 90 ILE C 1 91 LYS N 1 91 LYS CA 1 91 LYS C -84.80 -44.80 -73.25 -84.85 -56.45 0.05 11 0 "[ . 1 . 2]" 146 . 1 91 LYS N 1 91 LYS CA 1 91 LYS C 1 92 VAL N -61.00 -21.00 -42.00 -38.68 -42.57 0.04 5 0 "[ . 1 . 2]" 147 . 1 91 LYS C 1 92 VAL N 1 92 VAL CA 1 92 VAL C -102.30 -49.50 -83.42 -101.75 -71.28 . . 0 "[ . 1 . 2]" 148 . 1 92 VAL N 1 92 VAL CA 1 92 VAL C 1 93 THR N -64.00 -21.00 -40.79 -60.13 -20.85 0.15 17 0 "[ . 1 . 2]" 149 . 1 92 VAL C 1 93 THR N 1 93 THR CA 1 93 THR C -137.70 -74.10 -117.60 -119.10 -125.95 0.43 12 0 "[ . 1 . 2]" 150 . 1 93 THR N 1 93 THR CA 1 93 THR C 1 94 GLY N -34.80 5.20 -24.71 -28.72 -30.21 1.48 3 0 "[ . 1 . 2]" 151 . 1 93 THR C 1 94 GLY N 1 94 GLY CA 1 94 GLY C 45.30 124.30 80.22 56.44 99.71 . . 0 "[ . 1 . 2]" 152 . 1 94 GLY N 1 94 GLY CA 1 94 GLY C 1 95 LYS N -20.00 33.80 27.27 28.27 26.12 1.06 2 0 "[ . 1 . 2]" 153 . 1 96 VAL C 1 97 PRO N 1 97 PRO CA 1 97 PRO C -90.30 -43.90 -82.56 -90.88 -69.98 0.58 12 0 "[ . 1 . 2]" 154 . 1 97 PRO N 1 97 PRO CA 1 97 PRO C 1 98 PRO N 123.80 169.40 162.71 153.28 169.87 0.47 19 0 "[ . 1 . 2]" 155 . 1 97 PRO C 1 98 PRO N 1 98 PRO CA 1 98 PRO C -75.60 -35.60 -51.55 -52.34 -52.84 . . 0 "[ . 1 . 2]" 156 . 1 98 PRO N 1 98 PRO CA 1 98 PRO C 1 99 GLY N -55.10 -15.10 -26.34 -40.79 -13.82 1.28 5 0 "[ . 1 . 2]" 157 . 1 99 GLY C 1 100 ASN N 1 100 ASN CA 1 100 ASN C -121.70 -77.10 -92.89 -94.27 -94.65 0.60 17 0 "[ . 1 . 2]" 158 . 1 100 ASN N 1 100 ASN CA 1 100 ASN C 1 101 LYS N -43.10 21.50 -20.82 -33.11 5.71 . . 0 "[ . 1 . 2]" 159 . 1 103 GLY C 1 104 ASN N 1 104 ASN CA 1 104 ASN C -141.40 -23.20 -99.35 -127.09 -64.62 . . 0 "[ . 1 . 2]" 160 . 1 104 ASN N 1 104 ASN CA 1 104 ASN C 1 105 ASN N 111.30 -179.90 121.30 120.05 113.17 1.25 14 0 "[ . 1 . 2]" 161 . 1 105 ASN C 1 106 THR N 1 106 THR CA 1 106 THR C -78.90 -38.90 -60.63 -75.21 -79.02 0.12 1 0 "[ . 1 . 2]" 162 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 PHE N -45.70 -4.30 -27.04 -25.77 -28.27 0.08 12 0 "[ . 1 . 2]" 163 . 1 106 THR C 1 107 PHE N 1 107 PHE CA 1 107 PHE C -87.30 -47.30 -80.04 -88.41 -67.83 1.11 4 0 "[ . 1 . 2]" 164 . 1 107 PHE N 1 107 PHE CA 1 107 PHE C 1 108 VAL N -56.10 7.70 -22.96 -56.53 -4.47 0.43 4 0 "[ . 1 . 2]" 165 . 1 107 PHE C 1 108 VAL N 1 108 VAL CA 1 108 VAL C -138.30 -66.50 -106.57 -136.35 -82.75 . . 0 "[ . 1 . 2]" 166 . 1 108 VAL N 1 108 VAL CA 1 108 VAL C 1 109 LYS N -32.90 26.30 -14.62 -12.67 -24.01 1.69 13 0 "[ . 1 . 2]" 167 . 1 114 HIS C 1 115 HIS N 1 115 HIS CA 1 115 HIS C -99.70 -57.10 -80.31 -64.44 -70.32 1.33 10 0 "[ . 1 . 2]" 168 . 1 115 HIS N 1 115 HIS CA 1 115 HIS C 1 116 HIS N 84.90 159.90 109.48 109.84 100.26 1.05 16 0 "[ . 1 . 2]" 169 . 1 115 HIS C 1 116 HIS N 1 116 HIS CA 1 116 HIS C -134.20 -27.20 -82.51 -134.42 -48.83 0.22 2 0 "[ . 1 . 2]" 170 . 1 116 HIS N 1 116 HIS CA 1 116 HIS C 1 117 HIS N 94.20 169.00 119.48 134.65 118.28 0.59 16 0 "[ . 1 . 2]" stop_ save_
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