NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
398615 | 1tm9 | 6244 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1tm9 save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 69 _TA_constraint_stats_list.Viol_count 109 _TA_constraint_stats_list.Viol_total 1978.28 _TA_constraint_stats_list.Viol_max 5.68 _TA_constraint_stats_list.Viol_rms 0.25 _TA_constraint_stats_list.Viol_average_all_restraints 0.04 _TA_constraint_stats_list.Viol_average_violations_only 0.70 _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 5 ASN C 1 6 ILE N 1 6 ILE CA 1 6 ILE C -90.00 -30.00 -48.94 -76.51 -30.83 . . 0 "[ . 1 . 2 . ]" 2 PHI 1 7 LYS C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -90.00 -30.00 -57.72 -66.98 -45.27 . . 0 "[ . 1 . 2 . ]" 3 PHI 1 8 GLU C 1 9 GLN N 1 9 GLN CA 1 9 GLN C -90.00 -30.00 -53.87 -70.87 -44.49 . . 0 "[ . 1 . 2 . ]" 4 PHI 1 9 GLN C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -90.00 -30.00 -62.95 -75.67 -46.55 . . 0 "[ . 1 . 2 . ]" 5 PHI 1 10 LEU C 1 11 ILE N 1 11 ILE CA 1 11 ILE C -90.00 -30.00 -48.48 -62.02 -27.27 2.73 26 0 "[ . 1 . 2 . ]" 6 PHI 1 11 ILE C 1 12 SER N 1 12 SER CA 1 12 SER C -90.00 -30.00 -39.28 -54.08 -29.90 0.10 19 0 "[ . 1 . 2 . ]" 7 PHI 1 12 SER C 1 13 PHE N 1 13 PHE CA 1 13 PHE C -90.00 -30.00 -48.41 -78.91 -31.82 . . 0 "[ . 1 . 2 . ]" 8 PHI 1 14 PHE C 1 15 ASN N 1 15 ASN CA 1 15 ASN C -90.00 -30.00 -56.17 -57.36 -58.20 . . 0 "[ . 1 . 2 . ]" 9 PHI 1 17 ALA C 1 18 CYS N 1 18 CYS CA 1 18 CYS C -170.00 -50.00 -99.20 -163.63 -50.67 . . 0 "[ . 1 . 2 . ]" 10 PHI 1 18 CYS C 1 19 SER N 1 19 SER CA 1 19 SER C -170.00 -50.00 -123.28 -128.38 -131.95 . . 0 "[ . 1 . 2 . ]" 11 PHI 1 21 HIS C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -90.00 -30.00 -57.01 -40.20 -41.23 5.68 12 1 "[ . 1 + . 2 . ]" 12 PHI 1 22 GLN C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -90.00 -30.00 -45.84 -64.73 -33.78 . . 0 "[ . 1 . 2 . ]" 13 PHI 1 25 LEU C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -90.00 -30.00 -83.64 -90.85 -73.74 0.85 5 0 "[ . 1 . 2 . ]" 14 PHI 1 26 ASP C 1 27 PHE N 1 27 PHE CA 1 27 PHE C -90.00 -30.00 -75.82 -90.22 -57.93 0.22 2 0 "[ . 1 . 2 . ]" 15 PHI 1 27 PHE C 1 28 ILE N 1 28 ILE CA 1 28 ILE C -90.00 -30.00 -38.90 -52.23 -32.72 . . 0 "[ . 1 . 2 . ]" 16 PHI 1 28 ILE C 1 29 CYS N 1 29 CYS CA 1 29 CYS C -90.00 -30.00 -87.82 -90.37 -90.54 2.48 20 0 "[ . 1 . 2 . ]" 17 PHI 1 29 CYS C 1 30 SER N 1 30 SER CA 1 30 SER C -90.00 -30.00 -43.77 -57.61 -33.66 . . 0 "[ . 1 . 2 . ]" 18 PHI 1 30 SER C 1 31 THR N 1 31 THR CA 1 31 THR C -90.00 -30.00 -50.35 -78.40 -36.19 . . 0 "[ . 1 . 2 . ]" 19 PHI 1 32 ARG C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -170.00 -50.00 -149.15 -170.89 -171.14 2.01 16 0 "[ . 1 . 2 . ]" 20 PHI 1 33 GLU C 1 34 SER N 1 34 SER CA 1 34 SER C -170.00 -50.00 -138.36 -170.28 -103.90 0.28 26 0 "[ . 1 . 2 . ]" 21 PHI 1 34 SER C 1 35 ASP N 1 35 ASP CA 1 35 ASP C -170.00 -50.00 -153.47 -171.05 -171.10 2.34 20 0 "[ . 1 . 2 . ]" 22 PHI 1 35 ASP C 1 36 THR N 1 36 THR CA 1 36 THR C -170.00 -50.00 -115.12 -140.27 -67.90 . . 0 "[ . 1 . 2 . ]" 23 PHI 1 38 SER C 1 39 SER N 1 39 SER CA 1 39 SER C -170.00 -50.00 -98.04 -93.90 -97.37 . . 0 "[ . 1 . 2 . ]" 24 PHI 1 44 LEU C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -90.00 -30.00 -47.41 -49.30 -51.68 . . 0 "[ . 1 . 2 . ]" 25 PHI 1 46 PRO C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -90.00 -30.00 -48.58 -52.72 -43.18 . . 0 "[ . 1 . 2 . ]" 26 PHI 1 47 ILE C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -90.00 -30.00 -54.95 -64.61 -44.49 . . 0 "[ . 1 . 2 . ]" 27 PHI 1 48 LYS C 1 49 ASN N 1 49 ASN CA 1 49 ASN C -90.00 -30.00 -81.30 -90.25 -73.66 0.25 2 0 "[ . 1 . 2 . ]" 28 PHI 1 49 ASN C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -90.00 -30.00 -82.66 -82.88 -83.25 . . 0 "[ . 1 . 2 . ]" 29 PHI 1 51 ILE C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -90.00 -30.00 -80.97 -90.40 -59.06 0.40 26 0 "[ . 1 . 2 . ]" 30 PHI 1 56 ASP C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -90.00 -30.00 -66.16 -88.60 -42.34 . . 0 "[ . 1 . 2 . ]" 31 PHI 1 57 GLU C 1 58 ASN N 1 58 ASN CA 1 58 ASN C -90.00 -30.00 -56.62 -75.21 -32.47 . . 0 "[ . 1 . 2 . ]" 32 PHI 1 58 ASN C 1 59 GLN N 1 59 GLN CA 1 59 GLN C -90.00 -30.00 -67.64 -89.18 -51.34 . . 0 "[ . 1 . 2 . ]" 33 PHI 1 59 GLN C 1 60 GLN N 1 60 GLN CA 1 60 GLN C -90.00 -30.00 -50.06 -59.28 -39.51 . . 0 "[ . 1 . 2 . ]" 34 PHI 1 60 GLN C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -90.00 -30.00 -64.13 -76.39 -50.38 . . 0 "[ . 1 . 2 . ]" 35 PHI 1 62 GLU C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -90.00 -30.00 -66.00 -69.61 -71.54 . . 0 "[ . 1 . 2 . ]" 36 PHI 1 63 ILE C 1 64 THR N 1 64 THR CA 1 64 THR C -90.00 -30.00 -46.17 -42.02 -43.87 . . 0 "[ . 1 . 2 . ]" 37 PHI 1 65 LYS C 1 66 ILE N 1 66 ILE CA 1 66 ILE C -90.00 -30.00 -55.28 -50.24 -51.67 . . 0 "[ . 1 . 2 . ]" 38 PHI 1 66 ILE C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -90.00 -30.00 -58.43 -59.34 -61.25 . . 0 "[ . 1 . 2 . ]" 39 PHI 1 67 ALA C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -90.00 -30.00 -63.31 -68.87 -53.29 . . 0 "[ . 1 . 2 . ]" 40 PHI 1 68 VAL C 1 69 ASN N 1 69 ASN CA 1 69 ASN C -90.00 -30.00 -45.21 -41.57 -42.26 . . 0 "[ . 1 . 2 . ]" 41 PHI 1 70 ASN C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -90.00 -30.00 -53.37 -49.24 -53.42 . . 0 "[ . 1 . 2 . ]" 42 PHI 1 71 ILE C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -90.00 -30.00 -49.39 -49.58 -52.23 . . 0 "[ . 1 . 2 . ]" 43 PHI 1 72 LYS C 1 73 THR N 1 73 THR CA 1 73 THR C -90.00 -30.00 -75.12 -80.17 -83.82 0.12 1 0 "[ . 1 . 2 . ]" 44 PHI 1 73 THR C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -90.00 -30.00 -58.07 -63.26 -67.66 . . 0 "[ . 1 . 2 . ]" 45 PHI 1 74 LEU C 1 75 SER N 1 75 SER CA 1 75 SER C -90.00 -30.00 -81.79 -86.06 -87.50 0.47 9 0 "[ . 1 . 2 . ]" 46 PHI 1 75 SER C 1 76 SER N 1 76 SER CA 1 76 SER C -170.00 -50.00 -165.90 -169.54 -169.56 0.41 7 0 "[ . 1 . 2 . ]" 47 PHI 1 85 ALA C 1 86 SER N 1 86 SER CA 1 86 SER C -90.00 -30.00 -55.92 -44.52 -48.05 . . 0 "[ . 1 . 2 . ]" 48 PHI 1 86 SER C 1 87 PHE N 1 87 PHE CA 1 87 PHE C -90.00 -30.00 -73.70 -57.89 -71.07 0.27 12 0 "[ . 1 . 2 . ]" 49 PHI 1 88 PHE C 1 89 SER N 1 89 SER CA 1 89 SER C -90.00 -30.00 -57.21 -40.54 -45.81 . . 0 "[ . 1 . 2 . ]" 50 PHI 1 89 SER C 1 90 THR N 1 90 THR CA 1 90 THR C -170.00 -50.00 -67.39 -94.43 -49.76 0.24 13 0 "[ . 1 . 2 . ]" 51 PHI 1 91 ASN C 1 92 SER N 1 92 SER CA 1 92 SER C -90.00 -30.00 -86.39 -90.65 -81.48 0.65 22 0 "[ . 1 . 2 . ]" 52 PHI 1 92 SER C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -90.00 -30.00 -42.42 -69.00 -35.42 . . 0 "[ . 1 . 2 . ]" 53 PHI 1 96 ILE C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -90.00 -30.00 -51.61 -60.94 -39.55 . . 0 "[ . 1 . 2 . ]" 54 PHI 1 100 VAL C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -90.00 -30.00 -57.00 -73.80 -37.62 . . 0 "[ . 1 . 2 . ]" 55 PHI 1 104 LEU C 1 105 TYR N 1 105 TYR CA 1 105 TYR C -90.00 -30.00 -58.19 -90.73 -34.41 0.73 13 0 "[ . 1 . 2 . ]" 56 PHI 1 106 HIS C 1 107 PHE N 1 107 PHE CA 1 107 PHE C -170.00 -50.00 -115.25 -86.63 -107.65 2.80 23 0 "[ . 1 . 2 . ]" 57 PHI 1 109 PHE C 1 110 LEU N 1 110 LEU CA 1 110 LEU C -170.00 -50.00 -57.07 -55.44 -58.13 1.82 21 0 "[ . 1 . 2 . ]" 58 PHI 1 110 LEU C 1 111 LYS N 1 111 LYS CA 1 111 LYS C -170.00 -50.00 -111.72 -108.79 -116.76 . . 0 "[ . 1 . 2 . ]" 59 PHI 1 111 LYS C 1 112 ASP N 1 112 ASP CA 1 112 ASP C -170.00 -50.00 -155.38 -170.45 -108.92 0.45 23 0 "[ . 1 . 2 . ]" 60 PHI 1 120 LYS C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -90.00 -30.00 -62.20 -56.91 -58.68 . . 0 "[ . 1 . 2 . ]" 61 PHI 1 121 LYS C 1 122 ALA N 1 122 ALA CA 1 122 ALA C -90.00 -30.00 -63.67 -61.97 -62.36 . . 0 "[ . 1 . 2 . ]" 62 PHI 1 124 GLU C 1 125 THR N 1 125 THR CA 1 125 THR C -90.00 -30.00 -54.53 -67.80 -44.47 . . 0 "[ . 1 . 2 . ]" 63 PHI 1 126 ILE C 1 127 ALA N 1 127 ALA CA 1 127 ALA C -90.00 -30.00 -42.71 -51.04 -38.18 . . 0 "[ . 1 . 2 . ]" 64 PHI 1 127 ALA C 1 128 ASP N 1 128 ASP CA 1 128 ASP C -90.00 -30.00 -87.21 -90.86 -82.01 0.86 13 0 "[ . 1 . 2 . ]" 65 PHI 1 128 ASP C 1 129 ASN N 1 129 ASN CA 1 129 ASN C -90.00 -30.00 -50.13 -62.47 -43.81 . . 0 "[ . 1 . 2 . ]" 66 PHI 1 129 ASN C 1 130 ILE N 1 130 ILE CA 1 130 ILE C -90.00 -30.00 -60.11 -56.16 -56.50 . . 0 "[ . 1 . 2 . ]" 67 PHI 1 130 ILE C 1 131 ALA N 1 131 ALA CA 1 131 ALA C -90.00 -30.00 -79.88 -90.55 -65.66 0.55 14 0 "[ . 1 . 2 . ]" 68 PHI 1 131 ALA C 1 132 ASP N 1 132 ASP CA 1 132 ASP C -90.00 -30.00 -83.15 -89.73 -74.07 . . 0 "[ . 1 . 2 . ]" 69 PHI 1 133 TYR C 1 134 LEU N 1 134 LEU CA 1 134 LEU C -90.00 -30.00 -57.75 -53.31 -56.00 1.17 19 0 "[ . 1 . 2 . ]" stop_ save_
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