NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
389830 | 1ny8 | 5798 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1ny8 save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 110 _TA_constraint_stats_list.Viol_count 148 _TA_constraint_stats_list.Viol_total 3346.77 _TA_constraint_stats_list.Viol_max 5.14 _TA_constraint_stats_list.Viol_rms 0.50 _TA_constraint_stats_list.Viol_average_all_restraints 0.12 _TA_constraint_stats_list.Viol_average_violations_only 1.41 _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 PHI 1 8 ASN C 1 9 ASN N 1 9 ASN CA 1 9 ASN C -85.00 -30.00 -73.22 -87.95 -36.14 2.95 15 0 "[ . 1 . ]" 2 PSI 1 9 ASN N 1 9 ASN CA 1 9 ASN C 1 10 GLU N -75.00 -20.00 -27.71 -74.86 -19.22 0.78 14 0 "[ . 1 . ]" 3 PHI 1 9 ASN C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -85.00 -30.00 -58.92 -45.70 -60.59 . . 0 "[ . 1 . ]" 4 PSI 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 ILE N -75.00 -20.00 -61.59 -75.30 -44.12 0.30 3 0 "[ . 1 . ]" 5 PHI 1 10 GLU C 1 11 ILE N 1 11 ILE CA 1 11 ILE C -85.00 -30.00 -55.70 -49.13 -56.39 . . 0 "[ . 1 . ]" 6 PSI 1 11 ILE N 1 11 ILE CA 1 11 ILE C 1 12 GLN N -75.00 -20.00 -27.15 -33.21 -19.79 0.21 8 0 "[ . 1 . ]" 7 PHI 1 11 ILE C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -85.00 -30.00 -76.01 -73.59 -74.92 . . 0 "[ . 1 . ]" 8 PSI 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 SER N -75.00 -20.00 -45.28 -69.70 -34.86 . . 0 "[ . 1 . ]" 9 PHI 1 12 GLN C 1 13 SER N 1 13 SER CA 1 13 SER C -85.00 -30.00 -64.27 -63.11 -65.93 . . 0 "[ . 1 . ]" 10 PSI 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 VAL N -75.00 -20.00 -34.13 -28.59 -35.06 . . 0 "[ . 1 . ]" 11 PHI 1 13 SER C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -85.00 -30.00 -76.91 -80.88 -73.80 . . 0 "[ . 1 . ]" 12 PSI 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 LEU N -75.00 -20.00 -39.02 -50.12 -28.64 . . 0 "[ . 1 . ]" 13 PHI 1 14 VAL C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -85.00 -30.00 -63.27 -59.42 -66.37 . . 0 "[ . 1 . ]" 14 PSI 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 MET N -75.00 -20.00 -39.61 -48.57 -31.92 . . 0 "[ . 1 . ]" 15 PHI 1 15 LEU C 1 16 MET N 1 16 MET CA 1 16 MET C -85.00 -30.00 -78.50 -85.92 -71.19 0.92 13 0 "[ . 1 . ]" 16 PSI 1 16 MET N 1 16 MET CA 1 16 MET C 1 17 ASN N -75.00 -20.00 -41.21 -47.09 -34.15 . . 0 "[ . 1 . ]" 17 PHI 1 16 MET C 1 17 ASN N 1 17 ASN CA 1 17 ASN C -85.00 -30.00 -59.45 -59.84 -63.24 . . 0 "[ . 1 . ]" 18 PSI 1 17 ASN N 1 17 ASN CA 1 17 ASN C 1 18 ALA N -75.00 -20.00 -35.84 -34.79 -38.41 . . 0 "[ . 1 . ]" 19 PHI 1 17 ASN C 1 18 ALA N 1 18 ALA CA 1 18 ALA C -85.00 -30.00 -75.90 -85.78 -60.13 0.78 2 0 "[ . 1 . ]" 20 PSI 1 18 ALA N 1 18 ALA CA 1 18 ALA C 1 19 LEU N -75.00 -20.00 -48.55 -44.63 -47.48 . . 0 "[ . 1 . ]" 21 PHI 1 22 GLN C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -180.00 -70.00 -119.75 -118.85 -122.33 . . 0 "[ . 1 . ]" 22 PSI 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 VAL N 60.00 180.00 174.42 167.60 -178.30 1.70 11 0 "[ . 1 . ]" 23 PHI 1 23 GLU C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -180.00 -70.00 -135.44 -129.07 -132.36 . . 0 "[ . 1 . ]" 24 PSI 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 HIS N 60.00 180.00 157.33 149.83 164.53 . . 0 "[ . 1 . ]" 25 PHI 1 24 VAL C 1 25 HIS N 1 25 HIS CA 1 25 HIS C -180.00 -70.00 -143.91 -141.54 -143.33 . . 0 "[ . 1 . ]" 26 PSI 1 25 HIS N 1 25 HIS CA 1 25 HIS C 1 26 VAL N 60.00 180.00 115.03 84.99 134.23 . . 0 "[ . 1 . ]" 27 PHI 1 25 HIS C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -180.00 -70.00 -112.20 -128.33 -92.80 . . 0 "[ . 1 . ]" 28 PSI 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 SER N 60.00 180.00 91.30 90.44 80.67 . . 0 "[ . 1 . ]" 29 PHI 1 26 VAL C 1 27 SER N 1 27 SER CA 1 27 SER C -180.00 -70.00 -101.54 -127.80 -76.43 . . 0 "[ . 1 . ]" 30 PSI 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 GLY N 60.00 180.00 142.75 111.97 171.46 . . 0 "[ . 1 . ]" 31 PHI 1 31 SER C 1 32 HIS N 1 32 HIS CA 1 32 HIS C -180.00 -70.00 -106.28 -122.55 -80.81 . . 0 "[ . 1 . ]" 32 PSI 1 32 HIS N 1 32 HIS CA 1 32 HIS C 1 33 PHE N 60.00 180.00 112.06 92.88 138.30 . . 0 "[ . 1 . ]" 33 PHI 1 32 HIS C 1 33 PHE N 1 33 PHE CA 1 33 PHE C -180.00 -70.00 -137.16 -148.97 -119.81 . . 0 "[ . 1 . ]" 34 PSI 1 33 PHE N 1 33 PHE CA 1 33 PHE C 1 34 GLN N 60.00 180.00 151.17 149.74 142.28 . . 0 "[ . 1 . ]" 35 PHI 1 33 PHE C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -180.00 -70.00 -99.77 -116.38 -89.13 . . 0 "[ . 1 . ]" 36 PSI 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 VAL N 60.00 180.00 130.07 131.79 128.32 . . 0 "[ . 1 . ]" 37 PHI 1 34 GLN C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -180.00 -70.00 -107.08 -114.77 -98.57 . . 0 "[ . 1 . ]" 38 PSI 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 ILE N 60.00 180.00 96.17 94.31 92.71 . . 0 "[ . 1 . ]" 39 PHI 1 35 VAL C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -180.00 -70.00 -93.38 -99.41 -86.55 . . 0 "[ . 1 . ]" 40 PSI 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 ALA N 60.00 180.00 130.59 119.16 150.97 . . 0 "[ . 1 . ]" 41 PHI 1 36 ILE C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -180.00 -70.00 -93.26 -88.77 -91.15 . . 0 "[ . 1 . ]" 42 PSI 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 VAL N 60.00 180.00 106.81 101.26 117.51 . . 0 "[ . 1 . ]" 43 PHI 1 37 ALA C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -180.00 -70.00 -79.18 -82.59 -86.07 . . 0 "[ . 1 . ]" 44 PSI 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 GLY N 60.00 180.00 150.85 150.40 149.58 . . 0 "[ . 1 . ]" 45 PHI 1 46 SER C 1 47 ARG N 1 47 ARG CA 1 47 ARG C -85.00 -30.00 -39.12 -39.24 -47.03 . . 0 "[ . 1 . ]" 46 PSI 1 47 ARG N 1 47 ARG CA 1 47 ARG C 1 48 VAL N -75.00 -20.00 -34.66 -32.76 -33.26 . . 0 "[ . 1 . ]" 47 PHI 1 47 ARG C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -85.00 -30.00 -72.82 -77.64 -48.10 . . 0 "[ . 1 . ]" 48 PSI 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 LYS N -75.00 -20.00 -63.72 -59.15 -60.97 0.08 16 0 "[ . 1 . ]" 49 PHI 1 48 VAL C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -85.00 -30.00 -53.02 -66.24 -38.10 . . 0 "[ . 1 . ]" 50 PSI 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 LYS N -75.00 -20.00 -33.25 -32.61 -32.86 . . 0 "[ . 1 . ]" 51 PHI 1 49 LYS C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -85.00 -30.00 -69.33 -78.96 -59.04 . . 0 "[ . 1 . ]" 52 PSI 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 GLN N -75.00 -20.00 -63.22 -76.09 -76.27 1.27 1 0 "[ . 1 . ]" 53 PHI 1 50 LYS C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -85.00 -30.00 -56.44 -75.18 -38.54 . . 0 "[ . 1 . ]" 54 PSI 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 GLN N -75.00 -20.00 -26.19 -39.72 -17.22 2.78 3 0 "[ . 1 . ]" 55 PHI 1 51 GLN C 1 52 GLN N 1 52 GLN CA 1 52 GLN C -85.00 -30.00 -72.85 -65.39 -66.01 . . 0 "[ . 1 . ]" 56 PSI 1 52 GLN N 1 52 GLN CA 1 52 GLN C 1 53 THR N -75.00 -20.00 -53.87 -73.78 -75.04 0.15 4 0 "[ . 1 . ]" 57 PHI 1 52 GLN C 1 53 THR N 1 53 THR CA 1 53 THR C -85.00 -30.00 -72.31 -85.25 -49.42 0.25 8 0 "[ . 1 . ]" 58 PSI 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 VAL N -75.00 -20.00 -21.37 -29.29 -17.77 2.23 11 0 "[ . 1 . ]" 59 PHI 1 53 THR C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -85.00 -30.00 -85.64 -83.37 -84.18 2.48 15 0 "[ . 1 . ]" 60 PSI 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 TYR N -75.00 -20.00 -41.49 -49.36 -30.01 . . 0 "[ . 1 . ]" 61 PHI 1 54 VAL C 1 55 TYR N 1 55 TYR CA 1 55 TYR C -85.00 -30.00 -85.35 -85.48 -85.76 1.59 6 0 "[ . 1 . ]" 62 PSI 1 55 TYR N 1 55 TYR CA 1 55 TYR C 1 56 GLY N -75.00 -20.00 -22.78 -22.93 -23.75 2.86 15 0 "[ . 1 . ]" 63 PHI 1 55 TYR C 1 56 GLY N 1 56 GLY CA 1 56 GLY C -85.00 -30.00 -51.72 -59.66 -41.36 . . 0 "[ . 1 . ]" 64 PSI 1 56 GLY N 1 56 GLY CA 1 56 GLY C 1 57 PRO N -75.00 -20.00 -52.63 -54.41 -50.32 . . 0 "[ . 1 . ]" 65 PHI 1 58 LEU C 1 59 MET N 1 59 MET CA 1 59 MET C -85.00 -30.00 -84.15 -82.48 -83.89 2.56 8 0 "[ . 1 . ]" 66 PSI 1 59 MET N 1 59 MET CA 1 59 MET C 1 60 GLU N -75.00 -20.00 -44.47 -55.14 -39.38 . . 0 "[ . 1 . ]" 67 PHI 1 59 MET C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -85.00 -30.00 -69.75 -74.33 -62.51 . . 0 "[ . 1 . ]" 68 PSI 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 TYR N -75.00 -20.00 -60.93 -61.34 -62.39 . . 0 "[ . 1 . ]" 69 PHI 1 60 GLU C 1 61 TYR N 1 61 TYR CA 1 61 TYR C -85.00 -30.00 -42.30 -61.93 -36.08 . . 0 "[ . 1 . ]" 70 PSI 1 61 TYR N 1 61 TYR CA 1 61 TYR C 1 62 ILE N -75.00 -20.00 -46.24 -44.93 -47.33 . . 0 "[ . 1 . ]" 71 PHI 1 61 TYR C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -85.00 -30.00 -68.31 -75.92 -54.91 . . 0 "[ . 1 . ]" 72 PSI 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 ALA N -75.00 -20.00 -45.31 -44.02 -46.67 . . 0 "[ . 1 . ]" 73 PHI 1 62 ILE C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -85.00 -30.00 -45.33 -63.31 -39.91 . . 0 "[ . 1 . ]" 74 PSI 1 63 ALA N 1 63 ALA CA 1 63 ALA C 1 64 ASP N -75.00 -20.00 -42.59 -41.53 -41.74 . . 0 "[ . 1 . ]" 75 PHI 1 63 ALA C 1 64 ASP N 1 64 ASP CA 1 64 ASP C -85.00 -30.00 -79.22 -85.91 -63.38 0.91 15 0 "[ . 1 . ]" 76 PSI 1 64 ASP N 1 64 ASP CA 1 64 ASP C 1 65 ASN N -75.00 -20.00 -38.58 -40.41 -41.03 . . 0 "[ . 1 . ]" 77 PHI 1 64 ASP C 1 65 ASN N 1 65 ASN CA 1 65 ASN C -85.00 -30.00 -59.55 -55.78 -56.29 . . 0 "[ . 1 . ]" 78 PSI 1 65 ASN N 1 65 ASN CA 1 65 ASN C 1 66 ARG N -75.00 -20.00 -18.59 -32.47 -16.54 3.46 6 0 "[ . 1 . ]" 79 PHI 1 65 ASN C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -85.00 -30.00 -32.74 -35.99 -30.02 . . 0 "[ . 1 . ]" 80 PSI 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 ILE N -75.00 -20.00 -36.13 -35.87 -37.33 . . 0 "[ . 1 . ]" 81 PHI 1 68 HIS C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -180.00 -70.00 -140.47 -153.68 -121.03 . . 0 "[ . 1 . ]" 82 PSI 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 VAL N 60.00 180.00 82.80 64.45 101.24 . . 0 "[ . 1 . ]" 83 PHI 1 69 ALA C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -180.00 -70.00 -107.55 -127.50 -94.84 . . 0 "[ . 1 . ]" 84 PSI 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 SER N 60.00 180.00 95.32 94.48 93.30 . . 0 "[ . 1 . ]" 85 PHI 1 70 VAL C 1 71 SER N 1 71 SER CA 1 71 SER C -180.00 -70.00 -78.48 -100.13 -71.54 . . 0 "[ . 1 . ]" 86 PSI 1 71 SER N 1 71 SER CA 1 71 SER C 1 72 ILE N 60.00 180.00 156.55 118.17 168.97 . . 0 "[ . 1 . ]" 87 PHI 1 71 SER C 1 72 ILE N 1 72 ILE CA 1 72 ILE C -180.00 -70.00 -142.37 -146.19 -151.51 . . 0 "[ . 1 . ]" 88 PSI 1 72 ILE N 1 72 ILE CA 1 72 ILE C 1 73 LYS N 60.00 180.00 123.02 112.81 138.84 . . 0 "[ . 1 . ]" 89 PHI 1 72 ILE C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -180.00 -70.00 -147.82 -146.84 -155.14 . . 0 "[ . 1 . ]" 90 PSI 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 ALA N 60.00 180.00 122.23 124.90 122.67 . . 0 "[ . 1 . ]" 91 PHI 1 73 LYS C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -180.00 -70.00 -82.88 -104.95 -74.89 . . 0 "[ . 1 . ]" 92 PSI 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 TYR N 60.00 180.00 114.23 114.36 112.83 . . 0 "[ . 1 . ]" 93 PHI 1 74 ALA C 1 75 TYR N 1 75 TYR CA 1 75 TYR C -180.00 -70.00 -146.07 -158.01 -134.99 . . 0 "[ . 1 . ]" 94 PSI 1 75 TYR N 1 75 TYR CA 1 75 TYR C 1 76 THR N 60.00 180.00 -178.68 -179.22 -179.75 2.63 4 0 "[ . 1 . ]" 95 PHI 1 77 PRO C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -85.00 -30.00 -81.66 -80.25 -80.89 0.54 12 0 "[ . 1 . ]" 96 PSI 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 GLU N -75.00 -20.00 -26.27 -32.05 -20.30 . . 0 "[ . 1 . ]" 97 PHI 1 78 ALA C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -85.00 -30.00 -57.21 -58.69 -59.70 . . 0 "[ . 1 . ]" 98 PSI 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 TRP N -75.00 -20.00 -32.41 -38.50 -27.22 . . 0 "[ . 1 . ]" 99 PHI 1 79 GLU C 1 80 TRP N 1 80 TRP CA 1 80 TRP C -85.00 -30.00 -62.72 -61.66 -63.67 . . 0 "[ . 1 . ]" 100 PSI 1 80 TRP N 1 80 TRP CA 1 80 TRP C 1 81 ALA N -75.00 -20.00 -63.54 -75.04 -75.98 1.19 13 0 "[ . 1 . ]" 101 PHI 1 80 TRP C 1 81 ALA N 1 81 ALA CA 1 81 ALA C -85.00 -30.00 -47.02 -84.57 -37.50 . . 0 "[ . 1 . ]" 102 PSI 1 81 ALA N 1 81 ALA CA 1 81 ALA C 1 82 ARG N -75.00 -20.00 -51.23 -49.80 -51.11 . . 0 "[ . 1 . ]" 103 PHI 1 81 ALA C 1 82 ARG N 1 82 ARG CA 1 82 ARG C -85.00 -30.00 -59.67 -68.95 -55.06 . . 0 "[ . 1 . ]" 104 PSI 1 82 ARG N 1 82 ARG CA 1 82 ARG C 1 83 ASP N -75.00 -20.00 -40.69 -40.24 -40.47 . . 0 "[ . 1 . ]" 105 PHI 1 82 ARG C 1 83 ASP N 1 83 ASP CA 1 83 ASP C -85.00 -30.00 -67.37 -87.82 -48.27 2.82 14 0 "[ . 1 . ]" 106 PSI 1 83 ASP N 1 83 ASP CA 1 83 ASP C 1 84 ARG N -75.00 -20.00 -46.21 -51.80 -42.43 . . 0 "[ . 1 . ]" 107 PHI 1 83 ASP C 1 84 ARG N 1 84 ARG CA 1 84 ARG C -85.00 -30.00 -70.48 -69.81 -70.23 . . 0 "[ . 1 . ]" 108 PSI 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 LYS N -75.00 -20.00 -25.44 -23.11 -23.31 0.08 5 0 "[ . 1 . ]" 109 PHI 1 84 ARG C 1 85 LYS N 1 85 LYS CA 1 85 LYS C -85.00 -30.00 -85.59 -86.36 -86.49 1.99 9 0 "[ . 1 . ]" 110 PSI 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 LEU N -75.00 -20.00 -16.80 -18.63 -14.86 5.14 8 1 "[ . + 1 . ]" stop_ save_ save_distance_constraint_statistics_2 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 73 _TA_constraint_stats_list.Viol_count 21 _TA_constraint_stats_list.Viol_total 192.89 _TA_constraint_stats_list.Viol_max 1.56 _TA_constraint_stats_list.Viol_rms 0.10 _TA_constraint_stats_list.Viol_average_all_restraints 0.01 _TA_constraint_stats_list.Viol_average_violations_only 0.57 _TA_constraint_stats_list.Cutoff_violation_report 5.00 _TA_constraint_stats_list.Details . 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 PHI 1 8 ASN C 1 9 ASN N 1 9 ASN CA 1 9 ASN C -103.53 -23.53 -73.22 -87.95 -36.14 . . 0 "[ . 1 . ]" 2 PSI 1 9 ASN N 1 9 ASN CA 1 9 ASN C 1 10 GLU N -91.31 8.69 -27.71 -74.86 -19.22 . . 0 "[ . 1 . ]" 3 PHI 1 9 ASN C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -108.69 -28.69 -58.92 -45.70 -60.59 . . 0 "[ . 1 . ]" 4 PSI 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 ILE N -89.98 10.02 -61.59 -75.30 -44.12 . . 0 "[ . 1 . ]" 5 PHI 1 10 GLU C 1 11 ILE N 1 11 ILE CA 1 11 ILE C -107.45 -27.45 -55.70 -49.13 -56.39 . . 0 "[ . 1 . ]" 6 PSI 1 11 ILE N 1 11 ILE CA 1 11 ILE C 1 12 GLN N -88.70 11.30 -27.15 -33.21 -19.79 . . 0 "[ . 1 . ]" 7 PHI 1 11 ILE C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -104.30 -24.30 -76.01 -73.59 -74.92 . . 0 "[ . 1 . ]" 8 PSI 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 SER N -89.97 10.03 -45.28 -69.70 -34.86 . . 0 "[ . 1 . ]" 9 PHI 1 12 GLN C 1 13 SER N 1 13 SER CA 1 13 SER C -105.75 -25.75 -64.27 -63.11 -65.93 . . 0 "[ . 1 . ]" 10 PSI 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 VAL N -88.98 11.02 -34.13 -28.59 -35.06 . . 0 "[ . 1 . ]" 11 PHI 1 13 SER C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -106.33 -26.33 -76.91 -80.88 -73.80 . . 0 "[ . 1 . ]" 12 PSI 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 LEU N -89.95 10.05 -39.02 -50.12 -28.64 . . 0 "[ . 1 . ]" 13 PHI 1 14 VAL C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -103.60 -23.60 -63.27 -59.42 -66.37 . . 0 "[ . 1 . ]" 14 PSI 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 MET N -89.72 10.28 -39.61 -48.57 -31.92 . . 0 "[ . 1 . ]" 15 PHI 1 15 LEU C 1 16 MET N 1 16 MET CA 1 16 MET C -105.15 -25.15 -78.50 -85.92 -71.19 . . 0 "[ . 1 . ]" 16 PSI 1 16 MET N 1 16 MET CA 1 16 MET C 1 17 ASN N -82.26 17.74 -41.21 -47.09 -34.15 . . 0 "[ . 1 . ]" 17 PHI 1 16 MET C 1 17 ASN N 1 17 ASN CA 1 17 ASN C -122.74 -42.74 -59.45 -59.84 -63.24 . . 0 "[ . 1 . ]" 18 PSI 1 17 ASN N 1 17 ASN CA 1 17 ASN C 1 18 ALA N -77.67 22.33 -35.84 -34.79 -38.41 . . 0 "[ . 1 . ]" 19 PHI 1 23 GLU C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -144.13 -64.13 -135.44 -129.07 -132.36 . . 0 "[ . 1 . ]" 20 PSI 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 HIS N 84.10 -175.90 157.33 149.83 164.53 . . 0 "[ . 1 . ]" 21 PHI 1 25 HIS C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -140.37 -60.37 -112.20 -128.33 -92.80 . . 0 "[ . 1 . ]" 22 PSI 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 SER N 73.96 173.96 91.30 90.44 80.67 . . 0 "[ . 1 . ]" 23 PHI 1 26 VAL C 1 27 SER N 1 27 SER CA 1 27 SER C -135.65 -55.65 -101.54 -127.80 -76.43 . . 0 "[ . 1 . ]" 24 PSI 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 GLY N 109.37 -150.63 142.75 111.97 171.46 . . 0 "[ . 1 . ]" 25 PHI 1 32 HIS C 1 33 PHE N 1 33 PHE CA 1 33 PHE C -149.06 -69.06 -137.16 -148.97 -119.81 . . 0 "[ . 1 . ]" 26 PSI 1 33 PHE N 1 33 PHE CA 1 33 PHE C 1 34 GLN N 95.47 -164.53 151.17 149.74 142.28 . . 0 "[ . 1 . ]" 27 PHI 1 34 GLN C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -158.55 -78.55 -107.08 -114.77 -98.57 . . 0 "[ . 1 . ]" 28 PSI 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 ILE N 76.97 176.97 96.17 94.31 92.71 . . 0 "[ . 1 . ]" 29 PHI 1 35 VAL C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -145.03 -65.03 -93.38 -99.41 -86.55 . . 0 "[ . 1 . ]" 30 PSI 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 ALA N 83.38 -176.62 130.59 119.16 150.97 . . 0 "[ . 1 . ]" 31 PHI 1 36 ILE C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -163.13 -83.13 -93.26 -88.77 -91.15 0.06 2 0 "[ . 1 . ]" 32 PSI 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 VAL N 82.22 -177.78 106.81 101.26 117.51 . . 0 "[ . 1 . ]" 33 PHI 1 37 ALA C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -157.31 -77.31 -79.18 -82.59 -86.07 1.56 6 0 "[ . 1 . ]" 34 PSI 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 GLY N 80.70 -179.30 150.85 150.40 149.58 . . 0 "[ . 1 . ]" 35 PHI 1 47 ARG C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -105.29 -25.29 -72.82 -77.64 -48.10 . . 0 "[ . 1 . ]" 36 PSI 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 LYS N -88.06 11.94 -63.72 -59.15 -60.97 . . 0 "[ . 1 . ]" 37 PHI 1 48 VAL C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -106.77 -26.77 -53.02 -66.24 -38.10 . . 0 "[ . 1 . ]" 38 PSI 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 LYS N -85.76 14.24 -33.25 -32.61 -32.86 . . 0 "[ . 1 . ]" 39 PHI 1 49 LYS C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -104.48 -24.48 -69.33 -78.96 -59.04 . . 0 "[ . 1 . ]" 40 PSI 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 GLN N -91.94 8.06 -63.22 -76.09 -76.27 . . 0 "[ . 1 . ]" 41 PHI 1 50 LYS C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -102.22 -22.22 -56.44 -75.18 -38.54 . . 0 "[ . 1 . ]" 42 PSI 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 GLN N -90.88 9.12 -26.19 -39.72 -17.22 . . 0 "[ . 1 . ]" 43 PHI 1 52 GLN C 1 53 THR N 1 53 THR CA 1 53 THR C -109.74 -29.74 -72.31 -85.25 -49.42 . . 0 "[ . 1 . ]" 44 PSI 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 VAL N -92.89 7.11 -21.37 -29.29 -17.77 . . 0 "[ . 1 . ]" 45 PHI 1 53 THR C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -117.37 -37.37 -85.64 -83.37 -84.18 . . 0 "[ . 1 . ]" 46 PSI 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 TYR N -80.37 19.63 -41.49 -49.36 -30.01 . . 0 "[ . 1 . ]" 47 PHI 1 54 VAL C 1 55 TYR N 1 55 TYR CA 1 55 TYR C -106.62 -26.62 -85.35 -85.48 -85.76 . . 0 "[ . 1 . ]" 48 PSI 1 55 TYR N 1 55 TYR CA 1 55 TYR C 1 56 GLY N -91.36 8.64 -22.78 -22.93 -23.75 . . 0 "[ . 1 . ]" 49 PSI 1 57 PRO N 1 57 PRO CA 1 57 PRO C 1 58 LEU N -78.46 21.54 -55.47 -73.44 -50.74 . . 0 "[ . 1 . ]" 50 PHI 1 63 ALA C 1 64 ASP N 1 64 ASP CA 1 64 ASP C -111.73 -31.73 -79.22 -85.91 -63.38 . . 0 "[ . 1 . ]" 51 PSI 1 64 ASP N 1 64 ASP CA 1 64 ASP C 1 65 ASN N -78.94 21.06 -38.58 -40.41 -41.03 . . 0 "[ . 1 . ]" 52 PHI 1 69 ALA C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -174.32 -94.32 -107.55 -127.50 -94.84 . . 0 "[ . 1 . ]" 53 PSI 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 SER N 79.04 179.04 95.32 94.48 93.30 . . 0 "[ . 1 . ]" 54 PHI 1 70 VAL C 1 71 SER N 1 71 SER CA 1 71 SER C -152.24 -72.24 -78.48 -100.13 -71.54 0.70 15 0 "[ . 1 . ]" 55 PSI 1 71 SER N 1 71 SER CA 1 71 SER C 1 72 ILE N 68.57 168.57 156.55 118.17 168.97 0.40 12 0 "[ . 1 . ]" 56 PHI 1 71 SER C 1 72 ILE N 1 72 ILE CA 1 72 ILE C -154.68 -74.68 -142.37 -146.19 -151.51 1.13 5 0 "[ . 1 . ]" 57 PSI 1 72 ILE N 1 72 ILE CA 1 72 ILE C 1 73 LYS N 79.65 179.65 123.02 112.81 138.84 . . 0 "[ . 1 . ]" 58 PHI 1 73 LYS C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -148.87 -68.87 -82.88 -104.95 -74.89 . . 0 "[ . 1 . ]" 59 PSI 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 TYR N 80.27 -179.73 114.23 114.36 112.83 . . 0 "[ . 1 . ]" 60 PHI 1 74 ALA C 1 75 TYR N 1 75 TYR CA 1 75 TYR C -169.05 -89.05 -146.07 -158.01 -134.99 . . 0 "[ . 1 . ]" 61 PSI 1 75 TYR N 1 75 TYR CA 1 75 TYR C 1 76 THR N 103.59 -156.41 -178.68 -179.22 -179.75 . . 0 "[ . 1 . ]" 62 PHI 1 75 TYR C 1 76 THR N 1 76 THR CA 1 76 THR C -148.93 -68.93 -86.95 -89.98 -83.37 . . 0 "[ . 1 . ]" 63 PSI 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 PRO N 83.19 -176.81 -177.57 -176.72 -177.26 1.55 16 0 "[ . 1 . ]" 64 PHI 1 77 PRO C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -105.35 -25.35 -81.66 -80.25 -80.89 . . 0 "[ . 1 . ]" 65 PSI 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 GLU N -84.90 15.10 -26.27 -32.05 -20.30 . . 0 "[ . 1 . ]" 66 PHI 1 78 ALA C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -108.72 -28.72 -57.21 -58.69 -59.70 . . 0 "[ . 1 . ]" 67 PSI 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 TRP N -88.09 11.91 -32.41 -38.50 -27.22 . . 0 "[ . 1 . ]" 68 PHI 1 79 GLU C 1 80 TRP N 1 80 TRP CA 1 80 TRP C -102.87 -22.87 -62.72 -61.66 -63.67 . . 0 "[ . 1 . ]" 69 PSI 1 80 TRP N 1 80 TRP CA 1 80 TRP C 1 81 ALA N -92.53 7.47 -63.54 -75.04 -75.98 . . 0 "[ . 1 . ]" 70 PHI 1 81 ALA C 1 82 ARG N 1 82 ARG CA 1 82 ARG C -108.10 -28.10 -59.67 -68.95 -55.06 . . 0 "[ . 1 . ]" 71 PSI 1 82 ARG N 1 82 ARG CA 1 82 ARG C 1 83 ASP N -85.03 14.97 -40.69 -40.24 -40.47 . . 0 "[ . 1 . ]" 72 PHI 1 86 LEU C 1 87 ASN N 1 87 ASN CA 1 87 ASN C -137.31 -57.31 -111.56 -137.53 -91.29 0.22 7 0 "[ . 1 . ]" 73 PSI 1 87 ASN N 1 87 ASN CA 1 87 ASN C 1 88 GLY N -47.13 52.87 19.44 -5.83 26.41 . . 0 "[ . 1 . ]" stop_ save_
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