NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
423814 | 2fgx | 6929 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2fgx save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 78 _TA_constraint_stats_list.Viol_count 220 _TA_constraint_stats_list.Viol_total 4689.28 _TA_constraint_stats_list.Viol_max 6.00 _TA_constraint_stats_list.Viol_rms 0.55 _TA_constraint_stats_list.Viol_average_all_restraints 0.15 _TA_constraint_stats_list.Viol_average_violations_only 1.07 _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 31 LYS C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -150.30 -96.80 -114.54 -127.77 -103.63 . . 0 "[ . 1 . 2]" 2 PSI 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 VAL N 110.70 157.20 133.77 145.89 139.85 . . 0 "[ . 1 . 2]" 3 PHI 1 32 LEU C 1 33 VAL N 1 33 VAL CA 1 33 VAL C -141.70 -103.20 -111.32 -127.03 -102.07 1.13 20 0 "[ . 1 . 2]" 4 PSI 1 33 VAL N 1 33 VAL CA 1 33 VAL C 1 34 VAL N 107.10 164.20 131.80 126.36 139.62 . . 0 "[ . 1 . 2]" 5 PHI 1 33 VAL C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -146.30 -96.80 -102.95 -106.09 -107.54 0.47 20 0 "[ . 1 . 2]" 6 PSI 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 TYR N 107.30 157.10 111.83 114.25 114.01 1.74 16 0 "[ . 1 . 2]" 7 PHI 1 34 VAL C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -123.00 -71.30 -82.79 -95.90 -72.13 . . 0 "[ . 1 . 2]" 8 PSI 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 GLY N 98.90 161.90 116.46 97.02 154.42 1.88 18 0 "[ . 1 . 2]" 9 PHI 1 40 CYS C 1 41 HIS N 1 41 HIS CA 1 41 HIS C -70.60 -50.60 -65.87 -71.46 -52.92 0.86 18 0 "[ . 1 . 2]" 10 PSI 1 41 HIS N 1 41 HIS CA 1 41 HIS C 1 42 LEU N -64.90 -31.00 -36.75 -48.80 -28.29 2.71 18 0 "[ . 1 . 2]" 11 PHI 1 41 HIS C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -73.10 -53.10 -60.03 -73.72 -52.95 0.62 5 0 "[ . 1 . 2]" 12 PSI 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 CYS N -52.90 -32.70 -32.21 -36.08 -29.20 3.50 19 0 "[ . 1 . 2]" 13 PHI 1 42 LEU C 1 43 CYS N 1 43 CYS CA 1 43 CYS C -76.20 -55.30 -61.22 -68.35 -54.50 0.80 6 0 "[ . 1 . 2]" 14 PSI 1 43 CYS N 1 43 CYS CA 1 43 CYS C 1 44 GLU N -50.30 -30.30 -43.71 -48.45 -49.50 0.64 16 0 "[ . 1 . 2]" 15 PHI 1 43 CYS C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -84.80 -47.10 -65.33 -56.88 -59.65 0.44 8 0 "[ . 1 . 2]" 16 PSI 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 GLU N -58.20 -19.80 -37.91 -43.88 -44.11 . . 0 "[ . 1 . 2]" 17 PHI 1 44 GLU C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -79.10 -51.90 -64.74 -74.75 -55.12 . . 0 "[ . 1 . 2]" 18 PSI 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 MET N -53.10 -32.60 -41.17 -49.44 -34.18 . . 0 "[ . 1 . 2]" 19 PHI 1 45 GLU C 1 46 MET N 1 46 MET CA 1 46 MET C -76.50 -53.40 -66.04 -68.00 -68.72 . . 0 "[ . 1 . 2]" 20 PSI 1 46 MET N 1 46 MET CA 1 46 MET C 1 47 ILE N -57.80 -26.10 -42.35 -54.28 -27.29 . . 0 "[ . 1 . 2]" 21 PHI 1 46 MET C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -75.10 -55.10 -56.67 -59.12 -54.40 0.70 10 0 "[ . 1 . 2]" 22 PSI 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 ALA N -53.20 -33.20 -48.18 -46.56 -47.39 0.05 20 0 "[ . 1 . 2]" 23 PHI 1 47 ILE C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -71.50 -48.70 -59.76 -57.61 -58.13 . . 0 "[ . 1 . 2]" 24 PSI 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 SER N -58.30 -27.00 -40.08 -44.45 -31.07 . . 0 "[ . 1 . 2]" 25 PHI 1 48 ALA C 1 49 SER N 1 49 SER CA 1 49 SER C -74.40 -53.30 -64.35 -73.33 -55.79 . . 0 "[ . 1 . 2]" 26 PSI 1 49 SER N 1 49 SER CA 1 49 SER C 1 50 LEU N -53.50 -28.00 -43.41 -44.71 -45.52 . . 0 "[ . 1 . 2]" 27 PHI 1 49 SER C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -72.30 -50.00 -66.41 -69.72 -71.24 0.31 1 0 "[ . 1 . 2]" 28 PSI 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 ARG N -51.30 -31.30 -36.40 -45.59 -30.80 0.50 8 0 "[ . 1 . 2]" 29 PHI 1 50 LEU C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -75.70 -55.70 -59.98 -62.36 -62.87 0.22 4 0 "[ . 1 . 2]" 30 PSI 1 51 ARG N 1 51 ARG CA 1 51 ARG C 1 52 VAL N -50.50 -27.00 -39.71 -38.94 -39.02 0.56 6 0 "[ . 1 . 2]" 31 PHI 1 51 ARG C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -77.40 -53.00 -69.27 -77.32 -62.97 . . 0 "[ . 1 . 2]" 32 PSI 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1 53 LEU N -65.60 -24.50 -41.43 -43.83 -44.28 . . 0 "[ . 1 . 2]" 33 PHI 1 52 VAL C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -76.70 -47.90 -67.42 -76.87 -62.73 0.17 6 0 "[ . 1 . 2]" 34 PSI 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 GLN N -59.70 -15.40 -32.94 -33.86 -34.71 . . 0 "[ . 1 . 2]" 35 PHI 1 53 LEU C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -79.80 -48.50 -59.28 -64.13 -52.52 . . 0 "[ . 1 . 2]" 36 PSI 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 LYS N -50.00 -21.40 -24.27 -34.52 -20.54 0.86 6 0 "[ . 1 . 2]" 37 PHI 1 54 GLN C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -82.40 -59.10 -75.81 -82.02 -63.36 . . 0 "[ . 1 . 2]" 38 PSI 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 LYS N -47.10 -12.10 -20.11 -23.97 -28.97 0.87 16 0 "[ . 1 . 2]" 39 PHI 1 60 GLU C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -148.30 -87.90 -151.71 -151.60 -151.95 6.00 12 1 "[ . 1 + . 2]" 40 PSI 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 GLU N 110.70 159.70 116.40 108.71 137.03 1.99 5 0 "[ . 1 . 2]" 41 PHI 1 61 LEU C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -146.20 -95.00 -123.71 -108.76 -114.75 0.16 20 0 "[ . 1 . 2]" 42 PSI 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 VAL N 119.30 146.90 126.66 141.16 128.23 1.91 10 0 "[ . 1 . 2]" 43 PHI 1 62 GLU C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -129.50 -80.70 -112.94 -127.90 -99.94 . . 0 "[ . 1 . 2]" 44 PSI 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 ILE N 108.30 134.90 114.84 117.29 116.86 0.90 15 0 "[ . 1 . 2]" 45 PHI 1 63 VAL C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -158.90 -76.70 -119.63 -135.43 -107.86 . . 0 "[ . 1 . 2]" 46 PSI 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 ASN N 110.50 152.00 117.57 109.85 130.15 0.65 11 0 "[ . 1 . 2]" 47 PHI 1 69 ASN C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -73.10 -50.90 -58.44 -59.08 -62.92 0.28 4 0 "[ . 1 . 2]" 48 PSI 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 HIS N -46.60 -16.60 -35.21 -47.37 -18.94 0.77 20 0 "[ . 1 . 2]" 49 PHI 1 70 GLU C 1 71 HIS N 1 71 HIS CA 1 71 HIS C -77.30 -53.30 -67.11 -77.80 -55.40 0.50 17 0 "[ . 1 . 2]" 50 PSI 1 71 HIS N 1 71 HIS CA 1 71 HIS C 1 72 LEU N -54.40 -29.00 -45.38 -37.90 -41.26 3.69 17 0 "[ . 1 . 2]" 51 PHI 1 71 HIS C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -77.00 -50.30 -71.93 -78.78 -63.91 1.78 17 0 "[ . 1 . 2]" 52 PSI 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 THR N -56.30 -24.30 -34.76 -34.71 -36.93 . . 0 "[ . 1 . 2]" 53 PHI 1 72 LEU C 1 73 THR N 1 73 THR CA 1 73 THR C -87.40 -50.50 -60.51 -63.35 -64.35 . . 0 "[ . 1 . 2]" 54 PSI 1 73 THR N 1 73 THR CA 1 73 THR C 1 74 ARG N -56.90 -25.90 -44.24 -31.19 -33.68 0.82 10 0 "[ . 1 . 2]" 55 PHI 1 73 THR C 1 74 ARG N 1 74 ARG CA 1 74 ARG C -78.20 -49.90 -65.28 -59.54 -61.11 0.24 3 0 "[ . 1 . 2]" 56 PSI 1 74 ARG N 1 74 ARG CA 1 74 ARG C 1 75 LEU N -54.00 -32.80 -32.73 -38.54 -29.39 3.41 17 0 "[ . 1 . 2]" 57 PHI 1 74 ARG C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -91.00 -45.30 -76.55 -91.15 -64.12 0.15 11 0 "[ . 1 . 2]" 58 PSI 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 TYR N -56.50 -2.80 -48.55 -50.14 -50.67 1.00 11 0 "[ . 1 . 2]" 59 PHI 1 81 PRO C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -143.80 -92.20 -101.82 -91.09 -91.71 1.67 16 0 "[ . 1 . 2]" 60 PSI 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 LEU N 106.30 162.10 129.60 127.21 127.00 . . 0 "[ . 1 . 2]" 61 PHI 1 82 VAL C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -127.50 -77.60 -92.63 -113.28 -82.65 . . 0 "[ . 1 . 2]" 62 PSI 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 PHE N 103.40 134.60 109.03 106.48 105.13 1.41 12 0 "[ . 1 . 2]" 63 PHI 1 83 LEU C 1 84 PHE N 1 84 PHE CA 1 84 PHE C -164.20 -92.50 -95.55 -106.67 -91.31 1.19 17 0 "[ . 1 . 2]" 64 PSI 1 84 PHE N 1 84 PHE CA 1 84 PHE C 1 85 ALA N 105.00 158.70 127.82 138.22 136.89 . . 0 "[ . 1 . 2]" 65 PHI 1 84 PHE C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -134.30 -70.20 -83.34 -87.01 -90.54 . . 0 "[ . 1 . 2]" 66 PSI 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 VAL N 78.00 150.50 105.58 111.06 109.30 . . 0 "[ . 1 . 2]" 67 PHI 1 93 CYS C 1 94 HIS N 1 94 HIS CA 1 94 HIS C -143.90 -61.20 -137.91 -139.54 -143.96 2.38 13 0 "[ . 1 . 2]" 68 PSI 1 94 HIS N 1 94 HIS CA 1 94 HIS C 1 95 TYR N 131.20 -172.60 158.60 128.82 -170.32 2.38 15 0 "[ . 1 . 2]" 69 PHI 1 100 ASP C 1 101 VAL N 1 101 VAL CA 1 101 VAL C -75.50 -55.50 -66.99 -76.80 -55.31 1.30 3 0 "[ . 1 . 2]" 70 PSI 1 101 VAL N 1 101 VAL CA 1 101 VAL C 1 102 ILE N -62.90 -10.30 -46.34 -42.93 -44.37 . . 0 "[ . 1 . 2]" 71 PHI 1 101 VAL C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -113.10 -58.90 -68.04 -72.55 -63.36 . . 0 "[ . 1 . 2]" 72 PSI 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 GLY N -38.90 33.80 -32.07 -37.22 -25.87 . . 0 "[ . 1 . 2]" 73 PHI 1 103 GLY C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -80.80 -51.20 -70.08 -66.34 -67.33 0.18 5 0 "[ . 1 . 2]" 74 PSI 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 TYR N -64.40 -5.90 -33.07 -47.46 -24.49 . . 0 "[ . 1 . 2]" 75 PHI 1 104 ALA C 1 105 TYR N 1 105 TYR CA 1 105 TYR C -86.90 -45.00 -83.55 -88.08 -67.66 1.18 2 0 "[ . 1 . 2]" 76 PSI 1 105 TYR N 1 105 TYR CA 1 105 TYR C 1 106 LEU N -62.70 -14.20 -43.90 -47.73 -50.09 . . 0 "[ . 1 . 2]" 77 PHI 1 105 TYR C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -91.70 -46.40 -76.94 -92.22 -63.58 0.52 9 0 "[ . 1 . 2]" 78 PSI 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 SER N -58.30 13.20 -11.67 -8.51 -21.18 1.11 2 0 "[ . 1 . 2]" stop_ save_
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