NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
452645 | 2vxf | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2vxf save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 215 _TA_constraint_stats_list.Viol_count 503 _TA_constraint_stats_list.Viol_total 1126.61 _TA_constraint_stats_list.Viol_max 0.52 _TA_constraint_stats_list.Viol_rms 0.05 _TA_constraint_stats_list.Viol_average_all_restraints 0.01 _TA_constraint_stats_list.Viol_average_violations_only 0.11 _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 11 PRO N 1 11 PRO CA 1 11 PRO C 1 12 SER N -41.00 -13.00 -35.76 -36.33 -38.96 0.07 6 0 "[ . 1 . 2]" 2 . 1 11 PRO C 1 12 SER N 1 12 SER CA 1 12 SER C -100.00 -58.00 -68.07 -65.99 -66.69 . . 0 "[ . 1 . 2]" 3 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 GLY N -39.00 -3.00 -35.23 -34.13 -34.92 0.00 16 0 "[ . 1 . 2]" 4 . 1 12 SER C 1 13 GLY N 1 13 GLY CA 1 13 GLY C -95.00 -65.00 -71.93 -66.47 -67.42 0.03 14 0 "[ . 1 . 2]" 5 . 1 13 GLY N 1 13 GLY CA 1 13 GLY C 1 14 GLY N -39.00 5.00 -31.32 -37.62 5.15 0.15 9 0 "[ . 1 . 2]" 6 . 1 13 GLY C 1 14 GLY N 1 14 GLY CA 1 14 GLY C -85.00 -35.00 -65.96 -70.96 -60.41 . . 0 "[ . 1 . 2]" 7 . 1 14 GLY N 1 14 GLY CA 1 14 GLY C 1 15 THR N -55.00 -5.00 -35.77 -34.61 -35.31 . . 0 "[ . 1 . 2]" 8 . 1 14 GLY C 1 15 THR N 1 15 THR CA 1 15 THR C -143.00 -67.00 -100.81 -89.90 -96.39 0.06 14 0 "[ . 1 . 2]" 9 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 PRO N 123.00 175.00 129.56 122.97 122.95 0.19 12 0 "[ . 1 . 2]" 10 . 1 15 THR C 1 16 PRO N 1 16 PRO CA 1 16 PRO C -74.00 -46.00 -70.07 -71.96 -73.70 0.15 1 0 "[ . 1 . 2]" 11 . 1 16 PRO N 1 16 PRO CA 1 16 PRO C 1 17 TYR N 125.00 149.00 143.35 124.94 149.18 0.18 17 0 "[ . 1 . 2]" 12 . 1 16 PRO C 1 17 TYR N 1 17 TYR CA 1 17 TYR C -69.00 -47.00 -65.67 -69.25 -58.67 0.25 14 0 "[ . 1 . 2]" 13 . 1 17 TYR N 1 17 TYR CA 1 17 TYR C 1 18 ILE N -52.00 -20.00 -32.54 -33.91 -35.22 0.13 14 0 "[ . 1 . 2]" 14 . 1 17 TYR C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -73.00 -43.00 -64.54 -65.29 -65.66 . . 0 "[ . 1 . 2]" 15 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 GLY N 117.00 153.00 136.73 133.91 133.47 . . 0 "[ . 1 . 2]" 16 . 1 18 ILE C 1 19 GLY N 1 19 GLY CA 1 19 GLY C 80.00 100.00 96.24 92.31 98.65 . . 0 "[ . 1 . 2]" 17 . 1 19 GLY N 1 19 GLY CA 1 19 GLY C 1 20 SER N -2.00 22.00 -2.17 -2.32 -2.06 0.32 19 0 "[ . 1 . 2]" 18 . 1 19 GLY C 1 20 SER N 1 20 SER CA 1 20 SER C -107.00 -55.00 -92.93 -101.66 -102.99 . . 0 "[ . 1 . 2]" 19 . 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 LYS N 128.00 160.00 155.53 148.41 160.12 0.12 16 0 "[ . 1 . 2]" 20 . 1 20 SER C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -121.00 -75.00 -84.85 -82.07 -82.84 . . 0 "[ . 1 . 2]" 21 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 ILE N 97.00 137.00 131.35 127.63 137.03 0.03 19 0 "[ . 1 . 2]" 22 . 1 21 LYS C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -139.00 -111.00 -132.50 -134.09 -135.85 . . 0 "[ . 1 . 2]" 23 . 1 22 ILE N 1 22 ILE CA 1 22 ILE C 1 23 SER N 122.00 172.00 147.92 149.39 147.85 . . 0 "[ . 1 . 2]" 24 . 1 22 ILE C 1 23 SER N 1 23 SER CA 1 23 SER C -126.00 -90.00 -115.10 -114.63 -114.68 . . 0 "[ . 1 . 2]" 25 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 LEU N 101.00 137.00 131.68 135.95 133.91 . . 0 "[ . 1 . 2]" 26 . 1 23 SER C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -139.00 -109.00 -121.50 -127.07 -116.18 . . 0 "[ . 1 . 2]" 27 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 ILE N 118.00 150.00 135.42 130.19 137.51 . . 0 "[ . 1 . 2]" 28 . 1 24 LEU C 1 25 ILE N 1 25 ILE CA 1 25 ILE C -130.00 -104.00 -108.93 -110.11 -111.96 . . 0 "[ . 1 . 2]" 29 . 1 25 ILE N 1 25 ILE CA 1 25 ILE C 1 26 SER N 114.00 132.00 121.14 122.90 122.55 . . 0 "[ . 1 . 2]" 30 . 1 25 ILE C 1 26 SER N 1 26 SER CA 1 26 SER C -105.00 -75.00 -92.67 -95.78 -87.92 . . 0 "[ . 1 . 2]" 31 . 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 LYS N 158.00 -178.00 172.05 170.60 169.89 . . 0 "[ . 1 . 2]" 32 . 1 26 SER C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -81.00 -51.00 -60.04 -59.79 -59.86 . . 0 "[ . 1 . 2]" 33 . 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 ALA N -32.00 -8.00 -19.14 -20.01 -20.53 . . 0 "[ . 1 . 2]" 34 . 1 27 LYS C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -107.00 -77.00 -89.88 -91.14 -87.05 . . 0 "[ . 1 . 2]" 35 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 GLU N -7.00 27.00 16.04 14.88 13.67 . . 0 "[ . 1 . 2]" 36 . 1 28 ALA C 1 29 GLU N 1 29 GLU CA 1 29 GLU C 44.00 86.00 57.68 56.17 61.90 . . 0 "[ . 1 . 2]" 37 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 ILE N 15.00 51.00 28.58 27.50 25.22 . . 0 "[ . 1 . 2]" 38 . 1 29 GLU C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -105.00 -63.00 -104.76 -105.13 -101.87 0.13 4 0 "[ . 1 . 2]" 39 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 ARG N 110.00 154.00 146.37 144.89 143.34 . . 0 "[ . 1 . 2]" 40 . 1 30 ILE C 1 31 ARG N 1 31 ARG CA 1 31 ARG C -148.00 -96.00 -105.30 -107.63 -100.84 . . 0 "[ . 1 . 2]" 41 . 1 31 ARG N 1 31 ARG CA 1 31 ARG C 1 32 TYR N 118.00 164.00 120.67 118.92 122.65 . . 0 "[ . 1 . 2]" 42 . 1 31 ARG C 1 32 TYR N 1 32 TYR CA 1 32 TYR C -142.00 -94.00 -111.78 -112.73 -113.60 . . 0 "[ . 1 . 2]" 43 . 1 32 TYR N 1 32 TYR CA 1 32 TYR C 1 33 GLU N 117.00 159.00 136.17 140.71 139.80 . . 0 "[ . 1 . 2]" 44 . 1 32 TYR C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -148.00 -116.00 -119.28 -125.83 -115.96 0.04 3 0 "[ . 1 . 2]" 45 . 1 33 GLU N 1 33 GLU CA 1 33 GLU C 1 34 GLY N 141.00 171.00 140.65 140.80 140.75 0.51 12 0 "[ . 1 . 2]" 46 . 1 33 GLU C 1 34 GLY N 1 34 GLY CA 1 34 GLY C 177.00 -121.00 -166.07 -165.86 -166.19 . . 0 "[ . 1 . 2]" 47 . 1 34 GLY N 1 34 GLY CA 1 34 GLY C 1 35 ILE N 127.00 -179.00 -178.88 -178.96 -178.81 0.19 8 0 "[ . 1 . 2]" 48 . 1 34 GLY C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -131.00 -83.00 -107.63 -109.37 -105.35 . . 0 "[ . 1 . 2]" 49 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 LEU N 110.00 148.00 139.05 132.39 144.15 . . 0 "[ . 1 . 2]" 50 . 1 35 ILE C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -87.00 -55.00 -64.34 -62.38 -64.44 . . 0 "[ . 1 . 2]" 51 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 TYR N 109.00 143.00 111.58 112.04 110.90 0.16 5 0 "[ . 1 . 2]" 52 . 1 36 LEU C 1 37 TYR N 1 37 TYR CA 1 37 TYR C -111.00 -75.00 -93.87 -98.06 -89.31 . . 0 "[ . 1 . 2]" 53 . 1 37 TYR N 1 37 TYR CA 1 37 TYR C 1 38 THR N -52.00 -16.00 -52.05 -52.05 -52.07 0.16 5 0 "[ . 1 . 2]" 54 . 1 37 TYR C 1 38 THR N 1 38 THR CA 1 38 THR C -178.00 -138.00 -144.56 -147.50 -150.23 . . 0 "[ . 1 . 2]" 55 . 1 38 THR N 1 38 THR CA 1 38 THR C 1 39 ILE N 128.00 176.00 143.55 141.34 145.53 . . 0 "[ . 1 . 2]" 56 . 1 38 THR C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -140.00 -92.00 -116.42 -118.31 -118.45 . . 0 "[ . 1 . 2]" 57 . 1 39 ILE N 1 39 ILE CA 1 39 ILE C 1 40 ASP N 120.00 142.00 125.69 124.63 124.18 . . 0 "[ . 1 . 2]" 58 . 1 39 ILE C 1 40 ASP N 1 40 ASP CA 1 40 ASP C -112.00 -76.00 -112.09 -112.17 -112.03 0.17 15 0 "[ . 1 . 2]" 59 . 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 THR N 94.00 134.00 96.91 96.75 96.37 . . 0 "[ . 1 . 2]" 60 . 1 40 ASP C 1 41 THR N 1 41 THR CA 1 41 THR C -74.00 -50.00 -70.69 -71.97 -67.87 . . 0 "[ . 1 . 2]" 61 . 1 41 THR N 1 41 THR CA 1 41 THR C 1 42 GLU N -42.00 -8.00 -36.80 -38.04 -38.62 . . 0 "[ . 1 . 2]" 62 . 1 41 THR C 1 42 GLU N 1 42 GLU CA 1 42 GLU C -82.00 -56.00 -59.02 -59.83 -58.56 . . 0 "[ . 1 . 2]" 63 . 1 42 GLU N 1 42 GLU CA 1 42 GLU C 1 43 ASN N -43.00 -17.00 -29.44 -29.88 -32.15 . . 0 "[ . 1 . 2]" 64 . 1 42 GLU C 1 43 ASN N 1 43 ASN CA 1 43 ASN C -119.00 -79.00 -115.63 -117.70 -111.17 . . 0 "[ . 1 . 2]" 65 . 1 43 ASN N 1 43 ASN CA 1 43 ASN C 1 44 SER N -18.00 14.00 13.95 14.02 13.99 0.14 11 0 "[ . 1 . 2]" 66 . 1 43 ASN C 1 44 SER N 1 44 SER CA 1 44 SER C 50.00 70.00 49.94 49.79 50.06 0.21 17 0 "[ . 1 . 2]" 67 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 THR N 25.00 65.00 47.52 45.65 44.64 . . 0 "[ . 1 . 2]" 68 . 1 44 SER C 1 45 THR N 1 45 THR CA 1 45 THR C -149.00 -91.00 -131.91 -131.27 -131.37 . . 0 "[ . 1 . 2]" 69 . 1 45 THR N 1 45 THR CA 1 45 THR C 1 46 VAL N 139.00 173.00 149.04 149.40 149.16 . . 0 "[ . 1 . 2]" 70 . 1 45 THR C 1 46 VAL N 1 46 VAL CA 1 46 VAL C -149.00 -113.00 -131.08 -133.56 -128.84 . . 0 "[ . 1 . 2]" 71 . 1 46 VAL N 1 46 VAL CA 1 46 VAL C 1 47 ALA N 111.00 153.00 139.31 141.75 140.64 . . 0 "[ . 1 . 2]" 72 . 1 46 VAL C 1 47 ALA N 1 47 ALA CA 1 47 ALA C -141.00 -95.00 -111.97 -113.17 -113.77 . . 0 "[ . 1 . 2]" 73 . 1 47 ALA N 1 47 ALA CA 1 47 ALA C 1 48 LEU N 117.00 151.00 128.56 127.98 127.66 . . 0 "[ . 1 . 2]" 74 . 1 47 ALA C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -147.00 -117.00 -116.84 -116.92 -116.93 0.23 20 0 "[ . 1 . 2]" 75 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 ALA N 126.00 160.00 138.19 136.14 139.48 . . 0 "[ . 1 . 2]" 76 . 1 48 LEU C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -148.00 -98.00 -114.92 -116.54 -117.11 . . 0 "[ . 1 . 2]" 77 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 LYS N 123.00 167.00 163.51 161.71 159.48 . . 0 "[ . 1 . 2]" 78 . 1 50 LYS C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -130.00 -84.00 -121.06 -126.77 -116.79 . . 0 "[ . 1 . 2]" 79 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 ARG N 122.00 164.00 147.13 145.19 142.58 . . 0 "[ . 1 . 2]" 80 . 1 51 VAL C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -149.00 -99.00 -135.87 -140.70 -127.36 . . 0 "[ . 1 . 2]" 81 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 SER N 114.00 160.00 150.90 152.31 150.98 . . 0 "[ . 1 . 2]" 82 . 1 52 ARG C 1 53 SER N 1 53 SER CA 1 53 SER C -139.00 -83.00 -98.34 -102.39 -95.98 . . 0 "[ . 1 . 2]" 83 . 1 53 SER N 1 53 SER CA 1 53 SER C 1 54 PHE N 111.00 159.00 130.66 130.12 129.67 . . 0 "[ . 1 . 2]" 84 . 1 53 SER C 1 54 PHE N 1 54 PHE CA 1 54 PHE C -74.00 -52.00 -71.57 -74.06 -68.85 0.06 19 0 "[ . 1 . 2]" 85 . 1 54 PHE N 1 54 PHE CA 1 54 PHE C 1 55 GLY N -40.00 -12.00 -40.26 -40.20 -40.24 0.52 16 0 "[ . 1 . 2]" 86 . 1 54 PHE C 1 55 GLY N 1 55 GLY CA 1 55 GLY C 168.00 -176.00 167.76 167.51 167.95 0.49 16 0 "[ . 1 . 2]" 87 . 1 55 GLY N 1 55 GLY CA 1 55 GLY C 1 56 THR N 165.00 -159.00 172.24 169.13 167.96 . . 0 "[ . 1 . 2]" 88 . 1 55 GLY C 1 56 THR N 1 56 THR CA 1 56 THR C -118.00 -60.00 -117.56 -118.15 -114.40 0.15 19 0 "[ . 1 . 2]" 89 . 1 56 THR N 1 56 THR CA 1 56 THR C 1 57 GLU N -36.00 6.00 -8.03 -28.28 -30.60 0.37 18 0 "[ . 1 . 2]" 90 . 1 56 THR C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -109.00 -51.00 -60.87 -66.23 -53.95 . . 0 "[ . 1 . 2]" 91 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 ASP N -44.00 52.00 -26.74 -32.70 -19.34 . . 0 "[ . 1 . 2]" 92 . 1 57 GLU C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -84.00 -48.00 -60.42 -63.47 -57.84 . . 0 "[ . 1 . 2]" 93 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 ARG N -59.00 3.00 -32.87 -32.52 -32.73 . . 0 "[ . 1 . 2]" 94 . 1 58 ASP C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -150.00 -110.00 -130.23 -144.53 -118.97 . . 0 "[ . 1 . 2]" 95 . 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 PRO N 65.00 95.00 94.89 95.01 94.97 0.15 5 0 "[ . 1 . 2]" 96 . 1 59 ARG C 1 60 PRO N 1 60 PRO CA 1 60 PRO C -71.00 -47.00 -58.64 -64.40 -50.51 . . 0 "[ . 1 . 2]" 97 . 1 60 PRO N 1 60 PRO CA 1 60 PRO C 1 61 THR N 130.00 162.00 135.61 131.60 130.36 0.05 19 0 "[ . 1 . 2]" 98 . 1 60 PRO C 1 61 THR N 1 61 THR CA 1 61 THR C -143.00 -83.00 -128.28 -128.20 -128.97 . . 0 "[ . 1 . 2]" 99 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 ASP N 93.00 165.00 165.11 165.10 165.05 0.20 19 0 "[ . 1 . 2]" 100 . 1 61 THR C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -118.00 -78.00 -77.82 -77.85 -77.89 0.34 6 0 "[ . 1 . 2]" 101 . 1 62 ASP N 1 62 ASP CA 1 62 ASP C 1 63 ARG N -34.00 12.00 -2.59 -3.08 -4.07 . . 0 "[ . 1 . 2]" 102 . 1 62 ASP C 1 63 ARG N 1 63 ARG CA 1 63 ARG C -118.00 -66.00 -112.86 -115.22 -116.84 0.22 6 0 "[ . 1 . 2]" 103 . 1 63 ARG N 1 63 ARG CA 1 63 ARG C 1 64 PRO N 107.00 173.00 112.53 115.00 107.02 0.15 5 0 "[ . 1 . 2]" 104 . 1 63 ARG C 1 64 PRO N 1 64 PRO CA 1 64 PRO C -70.00 -50.00 -64.70 -69.96 -58.83 . . 0 "[ . 1 . 2]" 105 . 1 64 PRO N 1 64 PRO CA 1 64 PRO C 1 65 ILE N 132.00 158.00 137.05 132.04 131.98 0.13 16 0 "[ . 1 . 2]" 106 . 1 64 PRO C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -141.00 -89.00 -114.95 -124.22 -95.50 . . 0 "[ . 1 . 2]" 107 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 ALA N 108.00 146.00 140.31 136.01 130.75 0.01 2 0 "[ . 1 . 2]" 108 . 1 65 ILE C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -112.00 -62.00 -83.08 -102.28 -63.41 . . 0 "[ . 1 . 2]" 109 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 PRO N 110.00 158.00 148.74 150.56 148.61 0.14 11 0 "[ . 1 . 2]" 110 . 1 66 ALA C 1 67 PRO N 1 67 PRO CA 1 67 PRO C -69.00 -45.00 -64.23 -69.11 -57.66 0.11 2 0 "[ . 1 . 2]" 111 . 1 67 PRO N 1 67 PRO CA 1 67 PRO C 1 68 ARG N 129.00 165.00 150.93 141.35 137.19 0.11 12 0 "[ . 1 . 2]" 112 . 1 70 GLU C 1 71 THR N 1 71 THR CA 1 71 THR C -149.00 -103.00 -107.00 -102.91 -102.93 0.09 2 0 "[ . 1 . 2]" 113 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 PHE N 114.00 172.00 152.94 135.54 172.09 0.09 18 0 "[ . 1 . 2]" 114 . 1 71 THR C 1 72 PHE N 1 72 PHE CA 1 72 PHE C -102.00 -72.00 -100.30 -102.06 -102.08 0.12 5 0 "[ . 1 . 2]" 115 . 1 72 PHE N 1 72 PHE CA 1 72 PHE C 1 73 GLU N 100.00 176.00 129.44 125.24 136.37 . . 0 "[ . 1 . 2]" 116 . 1 72 PHE C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -85.00 -47.00 -68.11 -69.35 -66.31 . . 0 "[ . 1 . 2]" 117 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 TYR N -46.00 -22.00 -42.65 -46.03 -38.92 0.03 18 0 "[ . 1 . 2]" 118 . 1 73 GLU C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -158.00 -120.00 -150.24 -154.80 -146.85 . . 0 "[ . 1 . 2]" 119 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 ILE N 122.00 178.00 121.99 121.96 121.94 0.13 18 0 "[ . 1 . 2]" 120 . 1 74 TYR C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -146.00 -102.00 -130.91 -132.27 -134.17 . . 0 "[ . 1 . 2]" 121 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 ILE N 112.00 148.00 147.16 146.37 144.58 0.02 19 0 "[ . 1 . 2]" 122 . 1 75 ILE C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -128.00 -80.00 -110.65 -111.51 -112.36 . . 0 "[ . 1 . 2]" 123 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 PHE N 116.00 148.00 137.09 133.42 139.19 . . 0 "[ . 1 . 2]" 124 . 1 76 ILE C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -143.00 -89.00 -128.15 -129.47 -129.69 . . 0 "[ . 1 . 2]" 125 . 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 ARG N 117.00 167.00 142.63 142.12 141.49 . . 0 "[ . 1 . 2]" 126 . 1 77 PHE C 1 78 ARG N 1 78 ARG CA 1 78 ARG C -134.00 -62.00 -107.89 -110.73 -102.15 . . 0 "[ . 1 . 2]" 127 . 1 78 ARG N 1 78 ARG CA 1 78 ARG C 1 79 GLY N 139.00 175.00 151.95 151.07 149.11 . . 0 "[ . 1 . 2]" 128 . 1 78 ARG C 1 79 GLY N 1 79 GLY CA 1 79 GLY C -70.00 -50.00 -56.90 -57.74 -55.68 . . 0 "[ . 1 . 2]" 129 . 1 79 GLY N 1 79 GLY CA 1 79 GLY C 1 80 SER N -50.00 -26.00 -26.10 -26.15 -27.86 0.07 3 0 "[ . 1 . 2]" 130 . 1 79 GLY C 1 80 SER N 1 80 SER CA 1 80 SER C -88.00 -54.00 -66.33 -66.56 -66.70 . . 0 "[ . 1 . 2]" 131 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 ASP N -46.00 -4.00 -44.13 -46.05 -36.47 0.05 9 0 "[ . 1 . 2]" 132 . 1 80 SER C 1 81 ASP N 1 81 ASP CA 1 81 ASP C -116.00 -82.00 -83.49 -81.95 -81.95 0.06 19 0 "[ . 1 . 2]" 133 . 1 81 ASP N 1 81 ASP CA 1 81 ASP C 1 82 ILE N -32.00 18.00 -31.46 -31.61 -31.78 0.07 16 0 "[ . 1 . 2]" 134 . 1 81 ASP C 1 82 ILE N 1 82 ILE CA 1 82 ILE C -131.00 -51.00 -65.97 -68.71 -63.52 . . 0 "[ . 1 . 2]" 135 . 1 82 ILE N 1 82 ILE CA 1 82 ILE C 1 83 LYS N 119.00 147.00 141.21 136.14 146.78 . . 0 "[ . 1 . 2]" 136 . 1 82 ILE C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -115.00 -81.00 -104.15 -108.16 -98.86 . . 0 "[ . 1 . 2]" 137 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 ASP N -46.00 -4.00 -42.78 -45.20 -45.99 . . 0 "[ . 1 . 2]" 138 . 1 83 LYS C 1 84 ASP N 1 84 ASP CA 1 84 ASP C -171.00 -133.00 -145.05 -146.03 -146.86 . . 0 "[ . 1 . 2]" 139 . 1 84 ASP N 1 84 ASP CA 1 84 ASP C 1 85 LEU N 124.00 158.00 146.49 141.82 151.72 . . 0 "[ . 1 . 2]" 140 . 1 84 ASP C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -137.00 -91.00 -130.22 -130.39 -130.84 . . 0 "[ . 1 . 2]" 141 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 THR N 111.00 141.00 129.51 126.96 135.27 . . 0 "[ . 1 . 2]" 142 . 1 85 LEU C 1 86 THR N 1 86 THR CA 1 86 THR C -152.00 -96.00 -131.66 -135.90 -128.29 . . 0 "[ . 1 . 2]" 143 . 1 86 THR N 1 86 THR CA 1 86 THR C 1 87 VAL N 108.00 148.00 141.19 138.89 136.50 . . 0 "[ . 1 . 2]" 144 . 1 86 THR C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -110.00 -68.00 -100.68 -98.19 -98.79 . . 0 "[ . 1 . 2]" 145 . 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 CYS N 112.00 144.00 144.06 144.00 143.97 0.15 15 0 "[ . 1 . 2]" 146 . 1 87 VAL C 1 88 CYS N 1 88 CYS CA 1 88 CYS C -116.00 -64.00 -94.67 -114.98 -80.11 . . 0 "[ . 1 . 2]" 147 . 1 88 CYS N 1 88 CYS CA 1 88 CYS C 1 89 GLU N -37.00 -9.00 -36.42 -37.06 -37.08 0.14 3 0 "[ . 1 . 2]" 148 . 1 88 CYS C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -157.10 -84.30 -91.88 -155.57 -84.18 0.12 17 0 "[ . 1 . 2]" 149 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 PRO N 117.60 179.40 130.63 139.17 117.60 0.15 6 0 "[ . 1 . 2]" 150 . 1 90 PRO C 1 91 PRO N 1 91 PRO CA 1 91 PRO C -77.10 -48.10 -67.66 -64.16 -67.82 . . 0 "[ . 1 . 2]" 151 . 1 91 PRO N 1 91 PRO CA 1 91 PRO C 1 92 LYS N 127.10 156.70 152.44 145.78 135.87 0.07 16 0 "[ . 1 . 2]" 152 . 1 91 PRO C 1 92 LYS N 1 92 LYS CA 1 92 LYS C -102.10 -65.90 -93.65 -83.31 -86.25 0.06 4 0 "[ . 1 . 2]" 153 . 1 92 LYS N 1 92 LYS CA 1 92 LYS C 1 93 PRO N 127.80 170.60 155.59 156.79 154.70 . . 0 "[ . 1 . 2]" 154 . 1 92 LYS C 1 93 PRO N 1 93 PRO CA 1 93 PRO C -72.70 -50.10 -65.00 -68.80 -57.79 . . 0 "[ . 1 . 2]" 155 . 1 93 PRO N 1 93 PRO CA 1 93 PRO C 1 94 ILE N 130.90 156.70 143.12 145.65 143.38 . . 0 "[ . 1 . 2]" 156 . 1 93 PRO C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -155.00 -65.00 -116.13 -70.39 -94.92 . . 0 "[ . 1 . 2]" 157 . 1 94 ILE N 1 94 ILE CA 1 94 ILE C 1 95 MET N -60.00 -170.00 122.31 -35.02 160.37 . . 0 "[ . 1 . 2]" 158 . 1 94 ILE C 1 95 MET N 1 95 MET CA 1 95 MET C -155.00 -65.00 -130.59 -110.04 -120.82 . . 0 "[ . 1 . 2]" 159 . 1 15 THR N 1 15 THR CA 1 15 THR CB 1 15 THR OG1 -90.00 -30.00 -49.78 -52.52 -43.33 . . 0 "[ . 1 . 2]" 160 . 1 18 ILE N 1 18 ILE CA 1 18 ILE CB 1 18 ILE CG1 -90.00 -30.00 -61.25 -62.39 -55.98 . . 0 "[ . 1 . 2]" 161 . 1 20 SER N 1 20 SER CA 1 20 SER CB 1 20 SER OG -90.00 -30.00 -60.26 -59.55 -59.93 . . 0 "[ . 1 . 2]" 162 . 1 22 ILE N 1 22 ILE CA 1 22 ILE CB 1 22 ILE CG1 -90.00 -30.00 -60.75 -61.85 -54.02 . . 0 "[ . 1 . 2]" 163 . 1 23 SER N 1 23 SER CA 1 23 SER CB 1 23 SER OG 150.00 -150.00 -176.44 173.82 -171.40 . . 0 "[ . 1 . 2]" 164 . 1 24 LEU N 1 24 LEU CA 1 24 LEU CB 1 24 LEU CG 150.00 -150.00 -159.15 -156.81 -157.21 . . 0 "[ . 1 . 2]" 165 . 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 -90.00 -30.00 -60.11 -61.06 -54.42 . . 0 "[ . 1 . 2]" 166 . 1 26 SER N 1 26 SER CA 1 26 SER CB 1 26 SER OG -90.00 -30.00 -82.79 -85.92 -77.96 . . 0 "[ . 1 . 2]" 167 . 1 29 GLU N 1 29 GLU CA 1 29 GLU CB 1 29 GLU CG -90.00 90.00 -64.95 -80.94 -58.33 . . 0 "[ . 1 . 2]" 168 . 1 30 ILE N 1 30 ILE CA 1 30 ILE CB 1 30 ILE CG1 -90.00 -30.00 -61.05 -62.37 -55.68 . . 0 "[ . 1 . 2]" 169 . 1 31 ARG N 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 150.00 -150.00 -168.34 -171.02 -155.76 . . 0 "[ . 1 . 2]" 170 . 1 32 TYR N 1 32 TYR CA 1 32 TYR CB 1 32 TYR CG -90.00 -30.00 -68.85 -70.81 -64.42 . . 0 "[ . 1 . 2]" 171 . 1 35 ILE N 1 35 ILE CA 1 35 ILE CB 1 35 ILE CG1 -90.00 -30.00 -48.95 -52.79 -41.70 . . 0 "[ . 1 . 2]" 172 . 1 36 LEU N 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 150.00 -150.00 -165.22 -165.16 -166.21 . . 0 "[ . 1 . 2]" 173 . 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG 150.00 -150.00 -175.53 -177.80 -173.66 . . 0 "[ . 1 . 2]" 174 . 1 38 THR N 1 38 THR CA 1 38 THR CB 1 38 THR OG1 30.00 90.00 47.87 46.51 54.57 . . 0 "[ . 1 . 2]" 175 . 1 39 ILE N 1 39 ILE CA 1 39 ILE CB 1 39 ILE CG1 -90.00 -30.00 -58.03 -59.19 -51.72 . . 0 "[ . 1 . 2]" 176 . 1 40 ASP N 1 40 ASP CA 1 40 ASP CB 1 40 ASP CG 150.00 -150.00 -169.16 -171.01 -166.22 . . 0 "[ . 1 . 2]" 177 . 1 41 THR N 1 41 THR CA 1 41 THR CB 1 41 THR OG1 -90.00 -30.00 -49.82 -50.19 -46.11 . . 0 "[ . 1 . 2]" 178 . 1 43 ASN N 1 43 ASN CA 1 43 ASN CB 1 43 ASN CG -90.00 -30.00 -66.92 -67.79 -61.55 . . 0 "[ . 1 . 2]" 179 . 1 43 ASN CA 1 43 ASN CB 1 43 ASN CG 1 43 ASN ND2 150.00 -150.00 157.97 -150.03 150.08 0.10 12 0 "[ . 1 . 2]" 180 . 1 45 THR N 1 45 THR CA 1 45 THR CB 1 45 THR OG1 30.00 90.00 48.08 46.01 41.12 . . 0 "[ . 1 . 2]" 181 . 1 46 VAL N 1 46 VAL CA 1 46 VAL CB 1 46 VAL CG1 150.00 -150.00 -179.17 179.68 -172.66 . . 0 "[ . 1 . 2]" 182 . 1 48 LEU N 1 48 LEU CA 1 48 LEU CB 1 48 LEU CG -90.00 -30.00 -67.85 -82.20 -57.95 . . 0 "[ . 1 . 2]" 183 . 1 51 VAL N 1 51 VAL CA 1 51 VAL CB 1 51 VAL CG1 30.00 90.00 64.37 64.69 64.53 . . 0 "[ . 1 . 2]" 184 . 1 53 SER N 1 53 SER CA 1 53 SER CB 1 53 SER OG 30.00 90.00 73.64 70.33 77.99 . . 0 "[ . 1 . 2]" 185 . 1 54 PHE N 1 54 PHE CA 1 54 PHE CB 1 54 PHE CG -90.00 -30.00 -78.45 -90.05 -67.83 0.05 6 0 "[ . 1 . 2]" 186 . 1 56 THR N 1 56 THR CA 1 56 THR CB 1 56 THR OG1 30.00 90.00 55.13 52.81 61.25 . . 0 "[ . 1 . 2]" 187 . 1 58 ASP N 1 58 ASP CA 1 58 ASP CB 1 58 ASP CG 150.00 -150.00 -166.26 -169.93 -153.87 . . 0 "[ . 1 . 2]" 188 . 1 59 ARG N 1 59 ARG CA 1 59 ARG CB 1 59 ARG CG -90.00 -30.00 -81.79 -71.26 -75.58 0.04 19 0 "[ . 1 . 2]" 189 . 1 61 THR N 1 61 THR CA 1 61 THR CB 1 61 THR OG1 30.00 90.00 52.56 47.91 58.75 . . 0 "[ . 1 . 2]" 190 . 1 65 ILE N 1 65 ILE CA 1 65 ILE CB 1 65 ILE CG1 -90.00 -30.00 -57.47 -58.48 -51.23 . . 0 "[ . 1 . 2]" 191 . 1 68 ARG N 1 68 ARG CA 1 68 ARG CB 1 68 ARG CG -90.00 90.00 -34.37 58.92 -61.82 . . 0 "[ . 1 . 2]" 192 . 1 72 PHE N 1 72 PHE CA 1 72 PHE CB 1 72 PHE CG -90.00 -30.00 -65.53 -71.34 -62.05 . . 0 "[ . 1 . 2]" 193 . 1 75 ILE N 1 75 ILE CA 1 75 ILE CB 1 75 ILE CG1 -90.00 -30.00 -61.80 -68.35 -56.60 . . 0 "[ . 1 . 2]" 194 . 1 76 ILE N 1 76 ILE CA 1 76 ILE CB 1 76 ILE CG1 -90.00 -30.00 -60.55 -61.68 -55.60 . . 0 "[ . 1 . 2]" 195 . 1 77 PHE N 1 77 PHE CA 1 77 PHE CB 1 77 PHE CG -90.00 -30.00 -68.16 -72.38 -62.87 . . 0 "[ . 1 . 2]" 196 . 1 78 ARG N 1 78 ARG CA 1 78 ARG CB 1 78 ARG CG -90.00 90.00 -65.64 -67.47 -59.05 . . 0 "[ . 1 . 2]" 197 . 1 81 ASP N 1 81 ASP CA 1 81 ASP CB 1 81 ASP CG 30.00 90.00 61.52 61.15 56.99 . . 0 "[ . 1 . 2]" 198 . 1 82 ILE N 1 82 ILE CA 1 82 ILE CB 1 82 ILE CG1 -90.00 -30.00 -60.82 -62.98 -57.35 . . 0 "[ . 1 . 2]" 199 . 1 83 LYS N 1 83 LYS CA 1 83 LYS CB 1 83 LYS CG 150.00 -150.00 -170.09 -170.69 -166.25 . . 0 "[ . 1 . 2]" 200 . 1 84 ASP N 1 84 ASP CA 1 84 ASP CB 1 84 ASP CG 150.00 -150.00 -169.35 -170.14 -165.90 . . 0 "[ . 1 . 2]" 201 . 1 86 THR N 1 86 THR CA 1 86 THR CB 1 86 THR OG1 -90.00 -30.00 -50.16 -50.62 -46.35 . . 0 "[ . 1 . 2]" 202 . 1 87 VAL N 1 87 VAL CA 1 87 VAL CB 1 87 VAL CG1 150.00 -150.00 -178.62 -179.15 -172.28 . . 0 "[ . 1 . 2]" 203 . 1 18 ILE CA 1 18 ILE CB 1 18 ILE CG1 1 18 ILE CD1 150.00 -150.00 166.04 166.69 166.67 . . 0 "[ . 1 . 2]" 204 . 1 22 ILE CA 1 22 ILE CB 1 22 ILE CG1 1 22 ILE CD1 150.00 -150.00 171.70 170.50 170.22 . . 0 "[ . 1 . 2]" 205 . 1 24 LEU CA 1 24 LEU CB 1 24 LEU CG 1 24 LEU CD1 30.00 90.00 75.62 73.06 72.78 . . 0 "[ . 1 . 2]" 206 . 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 1 25 ILE CD1 150.00 -150.00 166.99 166.81 162.67 . . 0 "[ . 1 . 2]" 207 . 1 30 ILE CA 1 30 ILE CB 1 30 ILE CG1 1 30 ILE CD1 150.00 -150.00 165.91 159.07 168.06 . . 0 "[ . 1 . 2]" 208 . 1 35 ILE CA 1 35 ILE CB 1 35 ILE CG1 1 35 ILE CD1 -90.00 -30.00 -57.31 -58.66 -54.95 . . 0 "[ . 1 . 2]" 209 . 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 1 36 LEU CD1 30.00 90.00 75.19 76.19 72.73 . . 0 "[ . 1 . 2]" 210 . 1 39 ILE CA 1 39 ILE CB 1 39 ILE CG1 1 39 ILE CD1 150.00 -150.00 167.42 167.42 167.34 . . 0 "[ . 1 . 2]" 211 . 1 48 LEU CA 1 48 LEU CB 1 48 LEU CG 1 48 LEU CD1 150.00 -150.00 170.39 163.43 175.61 . . 0 "[ . 1 . 2]" 212 . 1 65 ILE CA 1 65 ILE CB 1 65 ILE CG1 1 65 ILE CD1 -90.00 -30.00 -58.63 -59.36 -59.72 . . 0 "[ . 1 . 2]" 213 . 1 75 ILE CA 1 75 ILE CB 1 75 ILE CG1 1 75 ILE CD1 150.00 -150.00 177.54 -175.58 174.68 . . 0 "[ . 1 . 2]" 214 . 1 76 ILE CA 1 76 ILE CB 1 76 ILE CG1 1 76 ILE CD1 150.00 -150.00 166.01 166.21 166.11 . . 0 "[ . 1 . 2]" 215 . 1 82 ILE CA 1 82 ILE CB 1 82 ILE CG1 1 82 ILE CD1 150.00 -150.00 164.11 162.35 161.47 . . 0 "[ . 1 . 2]" stop_ save_
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