NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
437289 | 2k2o | 15718 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2k2o save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 109 _TA_constraint_stats_list.Viol_count 241 _TA_constraint_stats_list.Viol_total 5913.58 _TA_constraint_stats_list.Viol_max 4.89 _TA_constraint_stats_list.Viol_rms 0.51 _TA_constraint_stats_list.Viol_average_all_restraints 0.14 _TA_constraint_stats_list.Viol_average_violations_only 1.23 _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 THR C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -173.00 -103.00 -133.36 -121.67 -126.55 0.25 9 0 "[ . 1 . 2]" 2 . 1 12 GLU C 1 13 PHE N 1 13 PHE CA 1 13 PHE C 179.00 -105.00 -137.99 -159.82 -121.55 . . 0 "[ . 1 . 2]" 3 . 1 13 PHE C 1 14 THR N 1 14 THR CA 1 14 THR C -140.00 -70.00 -75.38 -79.77 -69.57 0.43 1 0 "[ . 1 . 2]" 4 . 1 14 THR C 1 15 ASP N 1 15 ASP CA 1 15 ASP C -172.00 -78.00 -100.55 -93.66 -94.98 . . 0 "[ . 1 . 2]" 5 . 1 15 ASP C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -170.00 -110.00 -154.44 -168.83 -143.66 . . 0 "[ . 1 . 2]" 6 . 1 17 VAL C 1 18 TYR N 1 18 TYR CA 1 18 TYR C -144.00 -80.00 -120.85 -84.18 -88.94 0.07 7 0 "[ . 1 . 2]" 7 . 1 18 TYR C 1 19 GLN N 1 19 GLN CA 1 19 GLN C -160.00 -80.00 -108.00 -126.18 -78.46 1.54 12 0 "[ . 1 . 2]" 8 . 1 19 GLN C 1 20 ASN N 1 20 ASN CA 1 20 ASN C -166.00 -84.00 -116.52 -124.25 -137.92 . . 0 "[ . 1 . 2]" 9 . 1 20 ASN C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -163.00 -115.00 -135.16 -144.00 -115.31 . . 0 "[ . 1 . 2]" 10 . 1 21 GLU C 1 22 SER N 1 22 SER CA 1 22 SER C -163.00 -93.00 -141.70 -152.08 -128.59 . . 0 "[ . 1 . 2]" 11 . 1 22 SER C 1 23 ARG N 1 23 ARG CA 1 23 ARG C -157.00 -95.00 -148.34 -146.62 -148.36 . . 0 "[ . 1 . 2]" 12 . 1 30 LYS C 1 31 PRO N 1 31 PRO CA 1 31 PRO C -74.00 -50.00 -53.56 -52.21 -54.73 0.92 8 0 "[ . 1 . 2]" 13 . 1 33 GLU C 1 34 ASP N 1 34 ASP CA 1 34 ASP C -131.00 -75.00 -118.69 -116.45 -117.94 1.63 18 0 "[ . 1 . 2]" 14 . 1 34 ASP C 1 35 THR N 1 35 THR CA 1 35 THR C -111.00 -31.00 -66.20 -60.03 -61.16 . . 0 "[ . 1 . 2]" 15 . 1 35 THR C 1 36 TYR N 1 36 TYR CA 1 36 TYR C -163.00 -63.00 -100.94 -110.03 -92.77 . . 0 "[ . 1 . 2]" 16 . 1 36 TYR C 1 37 THR N 1 37 THR CA 1 37 THR C -161.00 -109.00 -144.04 -149.66 -135.16 . . 0 "[ . 1 . 2]" 17 . 1 37 THR C 1 38 ASP N 1 38 ASP CA 1 38 ASP C -143.00 -43.00 -101.16 -109.81 -91.19 . . 0 "[ . 1 . 2]" 18 . 1 38 ASP C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -73.00 -53.00 -51.97 -54.40 -50.05 2.95 19 0 "[ . 1 . 2]" 19 . 1 39 ALA C 1 40 ASN N 1 40 ASN CA 1 40 ASN C -131.00 -59.00 -87.23 -105.90 -73.23 . . 0 "[ . 1 . 2]" 20 . 1 41 GLY C 1 42 ASP N 1 42 ASP CA 1 42 ASP C -154.00 -34.00 -64.56 -59.41 -60.51 . . 0 "[ . 1 . 2]" 21 . 1 42 ASP C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -104.00 -48.00 -49.93 -60.36 -44.21 3.79 9 0 "[ . 1 . 2]" 22 . 1 43 LYS C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -157.00 -81.00 -120.33 -118.45 -120.95 . . 0 "[ . 1 . 2]" 23 . 1 47 PRO C 1 48 SER N 1 48 SER CA 1 48 SER C -88.00 -52.00 -75.35 -88.23 -68.35 0.23 2 0 "[ . 1 . 2]" 24 . 1 48 SER C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -118.00 -66.00 -66.66 -75.42 -64.47 1.53 1 0 "[ . 1 . 2]" 25 . 1 49 GLU C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -118.00 -46.00 -73.21 -102.02 -59.81 . . 0 "[ . 1 . 2]" 26 . 1 55 GLY C 1 56 TRP N 1 56 TRP CA 1 56 TRP C -147.00 -67.00 -125.61 -146.24 -69.23 . . 0 "[ . 1 . 2]" 27 . 1 56 TRP C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -170.00 -90.00 -119.50 -108.18 -110.08 . . 0 "[ . 1 . 2]" 28 . 1 64 SER C 1 65 TYR N 1 65 TYR CA 1 65 TYR C -152.00 -76.00 -85.58 -109.88 -112.89 3.53 16 0 "[ . 1 . 2]" 29 . 1 68 ASN C 1 69 ARG N 1 69 ARG CA 1 69 ARG C -157.00 -57.00 -141.14 -153.43 -134.02 . . 0 "[ . 1 . 2]" 30 . 1 69 ARG C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -119.00 -63.00 -81.42 -89.00 -73.85 . . 0 "[ . 1 . 2]" 31 . 1 70 ALA C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -151.00 -107.00 -134.39 -143.92 -115.50 . . 0 "[ . 1 . 2]" 32 . 1 71 VAL C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -108.00 -56.00 -65.03 -55.02 -55.22 3.19 20 0 "[ . 1 . 2]" 33 . 1 72 ASP C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -77.00 -53.00 -57.08 -53.28 -54.73 0.47 17 0 "[ . 1 . 2]" 34 . 1 76 TRP C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -156.00 -100.00 -111.45 -143.15 -98.60 1.40 12 0 "[ . 1 . 2]" 35 . 1 79 GLY C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -149.00 -93.00 -108.43 -133.44 -92.16 0.84 3 0 "[ . 1 . 2]" 36 . 1 81 THR C 1 82 ILE N 1 82 ILE CA 1 82 ILE C -154.00 -58.00 -100.11 -117.81 -72.98 . . 0 "[ . 1 . 2]" 37 . 1 82 ILE C 1 83 PRO N 1 83 PRO CA 1 83 PRO C -70.00 -50.00 -66.11 -65.87 -68.32 1.69 5 0 "[ . 1 . 2]" 38 . 1 83 PRO C 1 84 PRO N 1 84 PRO CA 1 84 PRO C -99.00 -31.00 -88.31 -91.29 -92.63 . . 0 "[ . 1 . 2]" 39 . 1 86 HIS C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -163.00 -39.00 -137.80 -105.88 -112.80 4.26 12 0 "[ . 1 . 2]" 40 . 1 87 LYS C 1 88 PRO N 1 88 PRO CA 1 88 PRO C -79.00 -51.00 -59.75 -71.51 -50.16 0.84 7 0 "[ . 1 . 2]" 41 . 1 89 LYS C 1 90 SER N 1 90 SER CA 1 90 SER C 167.00 -49.00 -127.62 -160.81 -85.15 . . 0 "[ . 1 . 2]" 42 . 1 90 SER C 1 91 TRP N 1 91 TRP CA 1 91 TRP C -149.00 -85.00 -132.84 -138.76 -112.83 . . 0 "[ . 1 . 2]" 43 . 1 96 LYS C 1 97 MET N 1 97 MET CA 1 97 MET C -81.00 -45.00 -54.20 -51.13 -53.03 1.56 3 0 "[ . 1 . 2]" 44 . 1 100 THR C 1 101 HIS N 1 101 HIS CA 1 101 HIS C -177.00 -77.00 -138.65 -139.97 -140.50 . . 0 "[ . 1 . 2]" 45 . 1 101 HIS C 1 102 ARG N 1 102 ARG CA 1 102 ARG C -160.00 -92.00 -149.89 -149.93 -150.94 0.44 19 0 "[ . 1 . 2]" 46 . 1 102 ARG C 1 103 ARG N 1 103 ARG CA 1 103 ARG C -162.00 -110.00 -149.26 -156.15 -134.05 . . 0 "[ . 1 . 2]" 47 . 1 103 ARG C 1 104 ARG N 1 104 ARG CA 1 104 ARG C -177.00 -125.00 -146.37 -159.28 -124.65 0.35 7 0 "[ . 1 . 2]" 48 . 1 104 ARG C 1 105 ARG N 1 105 ARG CA 1 105 ARG C -161.00 -65.00 -86.73 -91.51 -78.43 . . 0 "[ . 1 . 2]" 49 . 1 105 ARG C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -135.00 -75.00 -96.33 -104.98 -80.44 . . 0 "[ . 1 . 2]" 50 . 1 106 LEU C 1 107 VAL N 1 107 VAL CA 1 107 VAL C -147.00 -99.00 -108.00 -110.29 -111.11 . . 0 "[ . 1 . 2]" 51 . 1 107 VAL C 1 108 ARG N 1 108 ARG CA 1 108 ARG C -165.00 -17.00 -145.15 -144.24 -148.09 . . 0 "[ . 1 . 2]" 52 . 1 108 ARG C 1 109 LYS N 1 109 LYS CA 1 109 LYS C -124.00 -68.00 -75.69 -76.29 -77.56 . . 0 "[ . 1 . 2]" 53 . 1 109 LYS C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -151.00 -107.00 -137.09 -147.35 -122.02 . . 0 "[ . 1 . 2]" 54 . 1 110 ARG C 1 111 LYS N 1 111 LYS CA 1 111 LYS C 174.00 -94.00 -138.80 -108.61 -121.55 . . 0 "[ . 1 . 2]" 55 . 1 111 LYS C 1 112 LYS N 1 112 LYS CA 1 112 LYS C -155.00 -43.00 -88.74 -99.26 -83.73 . . 0 "[ . 1 . 2]" 56 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 PHE N 130.00 174.00 145.44 165.92 150.26 1.45 4 0 "[ . 1 . 2]" 57 . 1 13 PHE N 1 13 PHE CA 1 13 PHE C 1 14 THR N 107.00 151.00 135.04 119.49 143.89 . . 0 "[ . 1 . 2]" 58 . 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 ASP N 108.00 146.00 124.74 113.83 133.65 . . 0 "[ . 1 . 2]" 59 . 1 15 ASP N 1 15 ASP CA 1 15 ASP C 1 16 GLU N 107.00 175.00 158.05 155.86 150.31 0.02 10 0 "[ . 1 . 2]" 60 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 VAL N 144.00 172.00 151.05 142.31 159.48 1.69 2 0 "[ . 1 . 2]" 61 . 1 18 TYR N 1 18 TYR CA 1 18 TYR C 1 19 GLN N 114.00 150.00 138.17 138.88 118.51 2.10 9 0 "[ . 1 . 2]" 62 . 1 19 GLN N 1 19 GLN CA 1 19 GLN C 1 20 ASN N 111.00 171.00 123.42 111.66 142.80 . . 0 "[ . 1 . 2]" 63 . 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 GLU N 109.00 171.00 145.88 126.17 163.23 . . 0 "[ . 1 . 2]" 64 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 SER N 116.00 172.00 158.70 150.48 172.11 0.11 16 0 "[ . 1 . 2]" 65 . 1 22 SER N 1 22 SER CA 1 22 SER C 1 23 ARG N 118.00 178.00 148.39 151.48 149.55 . . 0 "[ . 1 . 2]" 66 . 1 23 ARG N 1 23 ARG CA 1 23 ARG C 1 24 TYR N 126.00 158.00 160.51 157.38 162.47 4.47 14 0 "[ . 1 . 2]" 67 . 1 31 PRO N 1 31 PRO CA 1 31 PRO C 1 32 ALA N 125.00 165.00 133.07 123.40 152.01 1.60 15 0 "[ . 1 . 2]" 68 . 1 35 THR N 1 35 THR CA 1 35 THR C 1 36 TYR N -64.00 -12.00 -54.51 -64.30 -37.04 0.30 5 0 "[ . 1 . 2]" 69 . 1 36 TYR N 1 36 TYR CA 1 36 TYR C 1 37 THR N 106.00 162.00 130.36 132.21 131.01 . . 0 "[ . 1 . 2]" 70 . 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 ASP N 127.00 -173.00 176.14 177.22 174.77 . . 0 "[ . 1 . 2]" 71 . 1 38 ASP N 1 38 ASP CA 1 38 ASP C 1 39 ALA N 134.00 -170.00 175.41 164.94 -173.48 . . 0 "[ . 1 . 2]" 72 . 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 ASN N -46.00 -6.00 -31.12 -37.44 -24.42 . . 0 "[ . 1 . 2]" 73 . 1 40 ASN N 1 40 ASN CA 1 40 ASN C 1 41 GLY N -51.00 37.00 -14.02 -15.23 -37.74 0.33 5 0 "[ . 1 . 2]" 74 . 1 42 ASP N 1 42 ASP CA 1 42 ASP C 1 43 LYS N 84.00 -168.00 105.04 99.15 109.66 . . 0 "[ . 1 . 2]" 75 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 ALA N 110.00 150.00 123.01 128.24 126.57 . . 0 "[ . 1 . 2]" 76 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 ALA N 115.00 -173.00 179.74 168.54 -172.40 0.60 20 0 "[ . 1 . 2]" 77 . 1 48 SER N 1 48 SER CA 1 48 SER C 1 49 GLU N -60.00 4.00 -46.60 -35.61 -41.80 . . 0 "[ . 1 . 2]" 78 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 LEU N -42.00 22.00 -24.67 -25.94 -27.26 . . 0 "[ . 1 . 2]" 79 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 THR N 112.00 168.00 113.39 118.55 114.70 1.64 7 0 "[ . 1 . 2]" 80 . 1 56 TRP N 1 56 TRP CA 1 56 TRP C 1 57 GLU N 110.00 178.00 135.66 121.40 145.98 . . 0 "[ . 1 . 2]" 81 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 TRP N 118.00 174.00 137.82 118.18 157.57 . . 0 "[ . 1 . 2]" 82 . 1 65 TYR N 1 65 TYR CA 1 65 TYR C 1 66 ASP N 119.00 155.00 141.52 126.57 154.34 . . 0 "[ . 1 . 2]" 83 . 1 69 ARG N 1 69 ARG CA 1 69 ARG C 1 70 ALA N 99.00 -177.00 -178.56 179.75 177.46 1.14 12 0 "[ . 1 . 2]" 84 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 VAL N 69.00 -179.00 81.19 69.82 86.20 . . 0 "[ . 1 . 2]" 85 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 ASP N 108.00 -172.00 165.93 150.66 -170.79 1.21 8 0 "[ . 1 . 2]" 86 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 GLU N 150.00 -174.00 173.94 165.94 -172.23 1.77 8 0 "[ . 1 . 2]" 87 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 LYS N -33.00 -9.00 -32.85 -25.25 -28.14 2.57 6 0 "[ . 1 . 2]" 88 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 TYR N 126.00 162.00 153.80 155.44 154.02 . . 0 "[ . 1 . 2]" 89 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 THR N 123.00 171.00 144.33 138.70 133.19 2.67 8 0 "[ . 1 . 2]" 90 . 1 82 ILE N 1 82 ILE CA 1 82 ILE C 1 83 PRO N 91.00 -177.00 114.82 97.38 133.59 . . 0 "[ . 1 . 2]" 91 . 1 83 PRO N 1 83 PRO CA 1 83 PRO C 1 84 PRO N 127.00 155.00 140.24 137.74 136.60 . . 0 "[ . 1 . 2]" 92 . 1 84 PRO N 1 84 PRO CA 1 84 PRO C 1 85 ASP N 115.00 171.00 144.11 127.22 156.63 . . 0 "[ . 1 . 2]" 93 . 1 87 LYS N 1 87 LYS CA 1 87 LYS C 1 88 PRO N 86.00 -174.00 143.55 123.54 160.76 . . 0 "[ . 1 . 2]" 94 . 1 88 PRO N 1 88 PRO CA 1 88 PRO C 1 89 LYS N 126.00 170.00 131.72 121.11 170.38 4.89 3 0 "[ . 1 . 2]" 95 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 TRP N 118.00 178.00 138.79 147.23 144.69 1.52 4 0 "[ . 1 . 2]" 96 . 1 91 TRP N 1 91 TRP CA 1 91 TRP C 1 92 VAL N 112.00 176.00 136.20 124.33 145.55 . . 0 "[ . 1 . 2]" 97 . 1 97 MET N 1 97 MET CA 1 97 MET C 1 98 TYR N -46.00 6.00 -36.54 -35.11 -36.10 1.66 12 0 "[ . 1 . 2]" 98 . 1 101 HIS N 1 101 HIS CA 1 101 HIS C 1 102 ARG N 124.00 164.00 149.31 123.30 157.89 0.70 15 0 "[ . 1 . 2]" 99 . 1 102 ARG N 1 102 ARG CA 1 102 ARG C 1 103 ARG N 116.00 152.00 146.98 144.87 143.70 0.58 20 0 "[ . 1 . 2]" 100 . 1 103 ARG N 1 103 ARG CA 1 103 ARG C 1 104 ARG N 125.00 165.00 163.66 163.65 161.97 3.79 18 0 "[ . 1 . 2]" 101 . 1 104 ARG N 1 104 ARG CA 1 104 ARG C 1 105 ARG N 116.00 172.00 150.45 153.47 151.47 . . 0 "[ . 1 . 2]" 102 . 1 105 ARG N 1 105 ARG CA 1 105 ARG C 1 106 LEU N 91.00 155.00 123.80 119.48 115.65 . . 0 "[ . 1 . 2]" 103 . 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 VAL N 106.00 162.00 128.40 123.31 137.71 . . 0 "[ . 1 . 2]" 104 . 1 107 VAL N 1 107 VAL CA 1 107 VAL C 1 108 ARG N 123.00 175.00 141.67 135.26 133.68 . . 0 "[ . 1 . 2]" 105 . 1 108 ARG N 1 108 ARG CA 1 108 ARG C 1 109 LYS N 98.00 158.00 106.43 103.98 102.52 0.37 17 0 "[ . 1 . 2]" 106 . 1 109 LYS N 1 109 LYS CA 1 109 LYS C 1 110 ARG N 114.00 154.00 144.93 134.76 154.21 0.21 1 0 "[ . 1 . 2]" 107 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 LYS N 130.00 -178.00 152.42 129.49 179.90 0.51 12 0 "[ . 1 . 2]" 108 . 1 111 LYS N 1 111 LYS CA 1 111 LYS C 1 112 LYS N 108.00 180.00 143.04 150.30 142.60 . . 0 "[ . 1 . 2]" 109 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 THR N -72.00 16.00 -25.13 -42.18 -47.32 0.31 18 0 "[ . 1 . 2]" stop_ save_
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