NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
423325 | 2f3w | 6908 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2f3w save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 161 _TA_constraint_stats_list.Viol_count 465 _TA_constraint_stats_list.Viol_total 2271.78 _TA_constraint_stats_list.Viol_max 5.29 _TA_constraint_stats_list.Viol_rms 0.35 _TA_constraint_stats_list.Viol_average_all_restraints 0.10 _TA_constraint_stats_list.Viol_average_violations_only 0.41 _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 . 1 1 ALA C 1 2 THR N 1 2 THR CA 1 2 THR C -141.00 -91.00 -115.95 -115.82 -128.51 0.14 5 0 "[ . 1 ]" 2 . 1 2 THR C 1 3 SER N 1 3 SER CA 1 3 SER C -110.00 -60.00 -89.99 -109.69 -62.85 . . 0 "[ . 1 ]" 3 . 1 3 SER C 1 4 THR N 1 4 THR CA 1 4 THR C -113.00 -63.00 -86.92 -111.99 -63.11 . . 0 "[ . 1 ]" 4 . 1 4 THR C 1 5 LYS N 1 5 LYS CA 1 5 LYS C -120.00 -70.00 -89.71 -98.88 -110.19 . . 0 "[ . 1 ]" 5 . 1 5 LYS C 1 6 LYS N 1 6 LYS CA 1 6 LYS C -134.00 -84.00 -105.04 -106.44 -123.87 . . 0 "[ . 1 ]" 6 . 1 6 LYS C 1 7 LEU N 1 7 LEU CA 1 7 LEU C -127.00 -77.00 -107.50 -110.47 -119.99 0.32 3 0 "[ . 1 ]" 7 . 1 7 LEU C 1 8 HIS N 1 8 HIS CA 1 8 HIS C -120.00 -70.00 -91.61 -120.31 -68.97 1.03 5 0 "[ . 1 ]" 8 . 1 8 HIS C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -117.70 -67.70 -88.05 -117.68 -67.28 0.42 4 0 "[ . 1 ]" 9 . 1 9 LYS C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -146.25 -96.25 -122.96 -138.44 -96.10 0.15 5 0 "[ . 1 ]" 10 . 1 10 GLU C 1 11 PRO N 1 11 PRO CA 1 11 PRO C -93.00 -43.00 -61.43 -76.18 -54.36 . . 0 "[ . 1 ]" 11 . 1 11 PRO C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -145.00 -95.00 -145.39 -145.42 -145.64 1.55 5 0 "[ . 1 ]" 12 . 1 12 ALA C 1 13 THR N 1 13 THR CA 1 13 THR C -125.00 -75.00 -120.60 -117.49 -120.49 0.44 11 0 "[ . 1 ]" 13 . 1 13 THR C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -106.00 -56.00 -92.14 -106.23 -67.04 0.23 12 0 "[ . 1 ]" 14 . 1 14 LEU C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -106.00 -56.00 -82.07 -77.49 -82.13 . . 0 "[ . 1 ]" 15 . 1 16 LYS C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -114.00 -64.00 -105.46 -114.25 -71.14 0.25 7 0 "[ . 1 ]" 16 . 1 17 ALA C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -101.00 -51.00 -70.45 -63.11 -80.38 0.07 8 0 "[ . 1 ]" 17 . 1 19 ASP C 1 20 GLY N 1 20 GLY CA 1 20 GLY C -93.00 -43.00 -71.08 -93.73 -46.33 0.73 5 0 "[ . 1 ]" 18 . 1 21 ASP C 1 22 THR N 1 22 THR CA 1 22 THR C -147.00 -97.00 -126.17 -97.14 -125.40 0.55 7 0 "[ . 1 ]" 19 . 1 22 THR C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -153.00 -103.00 -137.56 -150.71 -120.77 . . 0 "[ . 1 ]" 20 . 1 23 VAL C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -133.00 -83.00 -111.12 -128.67 -132.52 0.21 7 0 "[ . 1 ]" 21 . 1 24 LYS C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -137.00 -87.00 -108.31 -89.74 -99.14 0.06 2 0 "[ . 1 ]" 22 . 1 25 LEU C 1 26 MET N 1 26 MET CA 1 26 MET C -113.00 -63.00 -104.25 -113.18 -85.45 0.18 3 0 "[ . 1 ]" 23 . 1 26 MET C 1 27 TYR N 1 27 TYR CA 1 27 TYR C -126.00 -76.00 -113.87 -114.63 -120.71 0.10 12 0 "[ . 1 ]" 24 . 1 27 TYR C 1 28 LYS N 1 28 LYS CA 1 28 LYS C 35.00 85.00 53.27 55.18 54.54 . . 0 "[ . 1 ]" 25 . 1 28 LYS C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 56.00 106.00 83.14 58.15 100.20 . . 0 "[ . 1 ]" 26 . 1 29 GLY C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -136.00 -86.00 -104.78 -128.73 -85.81 0.19 6 0 "[ . 1 ]" 27 . 1 30 GLN C 1 31 PRO N 1 31 PRO CA 1 31 PRO C -92.00 -42.00 -69.40 -54.88 -66.87 . . 0 "[ . 1 ]" 28 . 1 31 PRO C 1 32 MET N 1 32 MET CA 1 32 MET C -125.00 -75.00 -84.11 -85.39 -87.60 0.06 3 0 "[ . 1 ]" 29 . 1 32 MET C 1 33 THR N 1 33 THR CA 1 33 THR C -121.00 -71.00 -89.89 -110.23 -70.93 0.07 6 0 "[ . 1 ]" 30 . 1 33 THR C 1 34 PHE N 1 34 PHE CA 1 34 PHE C -139.00 -89.00 -123.28 -139.24 -88.83 0.24 3 0 "[ . 1 ]" 31 . 1 35 ARG C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -135.00 -45.00 -111.35 -98.64 -105.75 0.46 5 0 "[ . 1 ]" 32 . 1 36 LEU C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -125.00 -35.00 -94.12 -125.53 -54.66 0.53 9 0 "[ . 1 ]" 33 . 1 37 LEU C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -146.00 -56.00 -102.69 -136.15 -60.82 . . 0 "[ . 1 ]" 34 . 1 38 LEU C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -153.00 -63.00 -116.31 -153.75 -65.41 0.75 9 0 "[ . 1 ]" 35 . 1 39 VAL C 1 40 ASP N 1 40 ASP CA 1 40 ASP C -155.00 -65.00 -121.31 -154.90 -76.30 . . 0 "[ . 1 ]" 36 . 1 40 ASP C 1 41 THR N 1 41 THR CA 1 41 THR C -148.00 -58.00 -120.29 -148.51 -62.65 0.51 9 0 "[ . 1 ]" 37 . 1 48 LYS C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -107.00 -57.00 -93.67 -107.81 -56.85 0.81 9 0 "[ . 1 ]" 38 . 1 49 LYS C 1 50 GLY N 1 50 GLY CA 1 50 GLY C 66.00 116.00 83.61 80.26 74.02 0.51 3 0 "[ . 1 ]" 39 . 1 50 GLY C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -127.00 -37.00 -94.92 -127.35 -128.28 3.43 12 0 "[ . 1 ]" 40 . 1 51 VAL C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -116.00 -26.00 -88.15 -92.71 -111.11 5.29 12 1 "[ . 1 +]" 41 . 1 55 GLY C 1 56 PRO N 1 56 PRO CA 1 56 PRO C -91.00 -41.00 -64.83 -92.06 -40.77 1.06 12 0 "[ . 1 ]" 42 . 1 56 PRO C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -97.00 -47.00 -83.24 -97.23 -55.47 0.23 6 0 "[ . 1 ]" 43 . 1 57 GLU C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -91.00 -41.00 -43.70 -47.89 -51.49 1.73 7 0 "[ . 1 ]" 44 . 1 58 ALA C 1 59 SER N 1 59 SER CA 1 59 SER C -93.00 -43.00 -70.40 -61.38 -64.06 0.18 11 0 "[ . 1 ]" 45 . 1 59 SER C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -91.00 -41.00 -61.33 -54.82 -60.75 0.73 12 0 "[ . 1 ]" 46 . 1 60 ALA C 1 61 PHE N 1 61 PHE CA 1 61 PHE C -87.00 -37.00 -53.75 -57.64 -60.97 . . 0 "[ . 1 ]" 47 . 1 61 PHE C 1 62 THR N 1 62 THR CA 1 62 THR C -94.00 -44.00 -76.89 -94.15 -49.63 0.15 4 0 "[ . 1 ]" 48 . 1 62 THR C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -89.00 -39.00 -61.35 -76.61 -40.34 . . 0 "[ . 1 ]" 49 . 1 63 LYS C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -92.00 -42.00 -88.20 -89.97 -91.46 0.16 10 0 "[ . 1 ]" 50 . 1 64 LYS C 1 65 MET N 1 65 MET CA 1 65 MET C -97.00 -47.00 -71.56 -58.39 -62.01 . . 0 "[ . 1 ]" 51 . 1 65 MET C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -123.00 -73.00 -114.73 -116.90 -117.16 0.48 9 0 "[ . 1 ]" 52 . 1 66 VAL C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -95.00 -45.00 -87.88 -95.69 -70.33 0.69 3 0 "[ . 1 ]" 53 . 1 67 GLU C 1 68 ASN N 1 68 ASN CA 1 68 ASN C -102.00 -52.00 -70.81 -80.11 -84.88 . . 0 "[ . 1 ]" 54 . 1 68 ASN C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -114.00 -64.00 -88.06 -72.29 -76.17 0.12 3 0 "[ . 1 ]" 55 . 1 72 ILE C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -146.00 -96.00 -133.13 -141.28 -146.10 0.27 1 0 "[ . 1 ]" 56 . 1 73 GLU C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -146.00 -96.00 -99.46 -110.94 -95.67 0.33 9 0 "[ . 1 ]" 57 . 1 74 VAL C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -137.00 -87.00 -103.22 -94.61 -101.40 0.21 4 0 "[ . 1 ]" 58 . 1 76 PHE C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -114.00 -64.00 -89.45 -93.54 -113.18 0.36 5 0 "[ . 1 ]" 59 . 1 79 GLY C 1 80 GLN N 1 80 GLN CA 1 80 GLN C -118.00 -68.00 -92.94 -117.70 -67.80 0.20 12 0 "[ . 1 ]" 60 . 1 80 GLN C 1 81 ARG N 1 81 ARG CA 1 81 ARG C -113.00 -63.00 -104.75 -114.34 -83.18 1.34 10 0 "[ . 1 ]" 61 . 1 81 ARG C 1 82 THR N 1 82 THR CA 1 82 THR C -140.00 -90.00 -115.06 -130.10 -140.18 1.40 10 0 "[ . 1 ]" 62 . 1 83 ASP C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -92.00 -42.00 -71.41 -71.02 -78.55 0.21 8 0 "[ . 1 ]" 63 . 1 85 TYR C 1 86 GLY N 1 86 GLY CA 1 86 GLY C 59.00 109.00 88.15 105.38 102.35 0.25 10 0 "[ . 1 ]" 64 . 1 88 GLY C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -124.00 -74.00 -86.92 -83.70 -89.08 0.15 3 0 "[ . 1 ]" 65 . 1 89 LEU C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -144.00 -94.00 -142.99 -144.50 -131.85 0.50 5 0 "[ . 1 ]" 66 . 1 90 ALA C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -112.00 -62.00 -84.61 -112.11 -61.97 0.11 10 0 "[ . 1 ]" 67 . 1 91 TYR C 1 92 ILE N 1 92 ILE CA 1 92 ILE C -135.00 -85.00 -114.68 -91.24 -109.37 0.02 2 0 "[ . 1 ]" 68 . 1 92 ILE C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -142.00 -92.00 -128.18 -141.99 -113.69 . . 0 "[ . 1 ]" 69 . 1 93 TYR C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -130.00 -80.00 -79.92 -84.74 -78.99 1.01 3 0 "[ . 1 ]" 70 . 1 94 ALA C 1 95 ASP N 1 95 ASP CA 1 95 ASP C 33.00 83.00 59.13 44.78 68.40 . . 0 "[ . 1 ]" 71 . 1 95 ASP C 1 96 GLY N 1 96 GLY CA 1 96 GLY C 56.00 106.00 71.96 58.19 57.49 . . 0 "[ . 1 ]" 72 . 1 96 GLY C 1 97 LYS N 1 97 LYS CA 1 97 LYS C -158.00 -68.00 -125.67 -127.88 -134.17 3.70 10 0 "[ . 1 ]" 73 . 1 97 LYS C 1 98 MET N 1 98 MET CA 1 98 MET C -145.00 -55.00 -101.36 -147.41 -57.18 2.41 10 0 "[ . 1 ]" 74 . 1 98 MET C 1 99 VAL N 1 99 VAL CA 1 99 VAL C -95.00 -45.00 -81.52 -84.49 -91.40 3.95 10 0 "[ . 1 ]" 75 . 1 99 VAL C 1 100 ASN N 1 100 ASN CA 1 100 ASN C -88.00 -38.00 -61.12 -58.66 -63.06 1.56 10 0 "[ . 1 ]" 76 . 1 100 ASN C 1 101 GLU N 1 101 GLU CA 1 101 GLU C -91.00 -41.00 -79.72 -72.58 -86.38 0.44 10 0 "[ . 1 ]" 77 . 1 101 GLU C 1 102 ALA N 1 102 ALA CA 1 102 ALA C -90.00 -40.00 -70.99 -90.17 -48.98 0.17 5 0 "[ . 1 ]" 78 . 1 102 ALA C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -111.00 -21.00 -105.53 -111.22 -111.37 3.42 10 0 "[ . 1 ]" 79 . 1 103 LEU C 1 104 VAL N 1 104 VAL CA 1 104 VAL C -90.00 -40.00 -60.63 -66.09 -70.36 0.12 12 0 "[ . 1 ]" 80 . 1 104 VAL C 1 105 ARG N 1 105 ARG CA 1 105 ARG C -98.00 -48.00 -69.91 -58.65 -69.77 0.17 11 0 "[ . 1 ]" 81 . 1 105 ARG C 1 106 GLN N 1 106 GLN CA 1 106 GLN C -110.00 -60.00 -86.62 -103.76 -61.75 . . 0 "[ . 1 ]" 82 . 1 106 GLN C 1 107 GLY N 1 107 GLY CA 1 107 GLY C 47.00 97.00 89.80 54.85 98.18 1.18 3 0 "[ . 1 ]" 83 . 1 2 THR N 1 2 THR CA 1 2 THR C 1 3 SER N 95.00 145.00 120.22 95.15 139.96 . . 0 "[ . 1 ]" 84 . 1 3 SER N 1 3 SER CA 1 3 SER C 1 4 THR N 110.00 160.00 136.45 113.46 160.01 0.01 6 0 "[ . 1 ]" 85 . 1 4 THR N 1 4 THR CA 1 4 THR C 1 5 LYS N 98.00 148.00 132.41 145.22 139.33 . . 0 "[ . 1 ]" 86 . 1 5 LYS N 1 5 LYS CA 1 5 LYS C 1 6 LYS N 101.00 151.00 126.14 134.22 125.85 0.14 8 0 "[ . 1 ]" 87 . 1 6 LYS N 1 6 LYS CA 1 6 LYS C 1 7 LEU N 104.00 154.00 130.58 105.41 153.99 . . 0 "[ . 1 ]" 88 . 1 7 LEU N 1 7 LEU CA 1 7 LEU C 1 8 HIS N 104.00 154.00 121.12 103.64 155.14 1.14 5 0 "[ . 1 ]" 89 . 1 8 HIS N 1 8 HIS CA 1 8 HIS C 1 9 LYS N 103.00 153.00 130.31 140.58 128.80 0.43 4 0 "[ . 1 ]" 90 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 GLU N 106.96 156.96 110.52 106.81 127.90 0.15 4 0 "[ . 1 ]" 91 . 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 PRO N 102.39 152.39 140.97 137.40 130.59 0.03 6 0 "[ . 1 ]" 92 . 1 11 PRO N 1 11 PRO CA 1 11 PRO C 1 12 ALA N 121.00 171.00 120.67 121.46 120.86 1.90 5 0 "[ . 1 ]" 93 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 THR N 108.00 158.00 107.74 107.39 107.94 0.61 9 0 "[ . 1 ]" 94 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 LEU N 119.00 169.00 155.79 158.73 150.58 . . 0 "[ . 1 ]" 95 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 ILE N 94.00 144.00 140.01 113.42 144.19 0.19 12 0 "[ . 1 ]" 96 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 LYS N -59.00 -9.00 -45.27 -59.04 -28.90 0.04 12 0 "[ . 1 ]" 97 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 ILE N 100.00 150.00 129.61 148.59 137.73 0.18 2 0 "[ . 1 ]" 98 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 ASP N -61.00 -11.00 -43.48 -14.77 -31.87 0.26 4 0 "[ . 1 ]" 99 . 1 20 GLY N 1 20 GLY CA 1 20 GLY C 1 21 ASP N -61.00 -11.00 -19.06 -38.52 -10.05 0.95 7 0 "[ . 1 ]" 100 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 VAL N 109.00 159.00 156.75 144.27 159.43 0.43 9 0 "[ . 1 ]" 101 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 LYS N 108.00 158.00 135.95 154.40 148.11 0.05 2 0 "[ . 1 ]" 102 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 LEU N 97.00 147.00 131.70 105.07 147.13 0.13 3 0 "[ . 1 ]" 103 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 MET N 116.00 166.00 155.47 161.19 160.85 . . 0 "[ . 1 ]" 104 . 1 26 MET N 1 26 MET CA 1 26 MET C 1 27 TYR N 95.00 145.00 98.68 97.63 95.62 0.09 9 0 "[ . 1 ]" 105 . 1 27 TYR N 1 27 TYR CA 1 27 TYR C 1 28 LYS N 88.00 138.00 99.93 91.58 112.47 . . 0 "[ . 1 ]" 106 . 1 28 LYS N 1 28 LYS CA 1 28 LYS C 1 29 GLY N 10.00 60.00 38.15 51.23 43.42 . . 0 "[ . 1 ]" 107 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 GLN N -21.00 29.00 3.33 16.03 -4.13 0.18 3 0 "[ . 1 ]" 108 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 PRO N 115.00 165.00 123.94 114.83 142.29 0.17 4 0 "[ . 1 ]" 109 . 1 32 MET N 1 32 MET CA 1 32 MET C 1 33 THR N 100.00 150.00 126.08 120.64 113.07 0.04 9 0 "[ . 1 ]" 110 . 1 33 THR N 1 33 THR CA 1 33 THR C 1 34 PHE N 105.00 155.00 138.00 121.51 155.01 0.01 1 0 "[ . 1 ]" 111 . 1 35 ARG N 1 35 ARG CA 1 35 ARG C 1 36 LEU N 74.00 164.00 121.64 74.54 164.11 0.11 6 0 "[ . 1 ]" 112 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 LEU N 82.00 172.00 133.20 81.35 172.12 0.65 9 0 "[ . 1 ]" 113 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 LEU N 83.00 173.00 110.78 82.93 156.15 0.07 2 0 "[ . 1 ]" 114 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 VAL N 106.00 -164.00 138.79 105.22 -169.47 0.78 9 0 "[ . 1 ]" 115 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 ASP N 104.00 -166.00 137.84 112.10 159.23 . . 0 "[ . 1 ]" 116 . 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 THR N 88.00 178.00 102.21 87.38 127.20 0.62 9 0 "[ . 1 ]" 117 . 1 41 THR N 1 41 THR CA 1 41 THR C 1 42 PRO N 76.00 166.00 112.38 75.44 157.03 0.56 9 0 "[ . 1 ]" 118 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 GLY N -38.00 12.00 -34.74 -38.81 -10.86 0.81 9 0 "[ . 1 ]" 119 . 1 50 GLY N 1 50 GLY CA 1 50 GLY C 1 51 VAL N -48.00 42.00 6.36 -5.65 -48.11 3.90 12 0 "[ . 1 ]" 120 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 GLU N -63.00 27.00 -14.03 16.86 1.42 4.37 12 0 "[ . 1 ]" 121 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 LYS N -77.00 13.00 -25.95 -38.00 -45.40 2.01 9 0 "[ . 1 ]" 122 . 1 54 TYR N 1 54 TYR CA 1 54 TYR C 1 55 GLY N -25.00 25.00 -4.70 -25.28 -25.35 1.32 5 0 "[ . 1 ]" 123 . 1 56 PRO N 1 56 PRO CA 1 56 PRO C 1 57 GLU N -48.00 2.00 -14.19 -5.34 -19.79 0.59 4 0 "[ . 1 ]" 124 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 SER N -60.00 -10.00 -42.09 -60.16 -26.23 0.16 7 0 "[ . 1 ]" 125 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 ALA N -69.00 -19.00 -39.93 -57.95 -18.68 0.32 6 0 "[ . 1 ]" 126 . 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 PHE N -64.00 -14.00 -40.48 -38.19 -40.37 . . 0 "[ . 1 ]" 127 . 1 61 PHE N 1 61 PHE CA 1 61 PHE C 1 62 THR N -65.00 -15.00 -55.02 -65.40 -39.42 0.40 10 0 "[ . 1 ]" 128 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 LYS N -66.00 -16.00 -30.94 -49.74 -20.40 . . 0 "[ . 1 ]" 129 . 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 LYS N -72.00 -22.00 -26.58 -22.11 -24.73 0.23 12 0 "[ . 1 ]" 130 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 MET N -59.00 -9.00 -30.11 -38.30 -21.34 . . 0 "[ . 1 ]" 131 . 1 65 MET N 1 65 MET CA 1 65 MET C 1 66 VAL N -51.00 -1.00 -8.34 -17.04 -0.52 0.48 3 0 "[ . 1 ]" 132 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 GLU N -41.00 9.00 -41.38 -42.02 -40.50 1.02 11 0 "[ . 1 ]" 133 . 1 68 ASN N 1 68 ASN CA 1 68 ASN C 1 69 ALA N -45.00 5.00 -26.34 -43.56 -45.05 0.39 10 0 "[ . 1 ]" 134 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 VAL N 121.00 171.00 152.13 164.92 162.28 0.20 5 0 "[ . 1 ]" 135 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 GLU N 110.00 160.00 111.63 109.79 109.64 0.51 3 0 "[ . 1 ]" 136 . 1 76 PHE N 1 76 PHE CA 1 76 PHE C 1 77 ASP N 118.00 168.00 130.64 163.78 136.75 0.54 11 0 "[ . 1 ]" 137 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 GLY N -59.00 -9.00 -37.60 -8.60 -27.55 0.40 2 0 "[ . 1 ]" 138 . 1 80 GLN N 1 80 GLN CA 1 80 GLN C 1 81 ARG N 111.00 161.00 123.81 110.15 160.99 0.85 10 0 "[ . 1 ]" 139 . 1 81 ARG N 1 81 ARG CA 1 81 ARG C 1 82 THR N -55.00 -5.00 -36.67 -55.72 -4.66 0.72 10 0 "[ . 1 ]" 140 . 1 82 THR N 1 82 THR CA 1 82 THR C 1 83 ASP N 134.00 -176.00 163.96 -176.39 164.09 0.70 10 0 "[ . 1 ]" 141 . 1 85 TYR N 1 85 TYR CA 1 85 TYR C 1 86 GLY N -39.00 11.00 -9.27 -38.54 11.68 0.68 6 0 "[ . 1 ]" 142 . 1 86 GLY N 1 86 GLY CA 1 86 GLY C 1 87 ARG N -10.00 40.00 17.38 -10.54 40.60 0.60 1 0 "[ . 1 ]" 143 . 1 87 ARG N 1 87 ARG CA 1 87 ARG C 1 88 GLY N -24.00 26.00 -14.84 26.51 26.14 0.60 8 0 "[ . 1 ]" 144 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 ALA N 110.00 160.00 113.65 109.58 122.13 0.42 5 0 "[ . 1 ]" 145 . 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 TYR N 110.00 160.00 137.70 109.87 159.87 0.13 6 0 "[ . 1 ]" 146 . 1 91 TYR N 1 91 TYR CA 1 91 TYR C 1 92 ILE N 92.00 142.00 124.23 93.68 142.17 0.17 12 0 "[ . 1 ]" 147 . 1 92 ILE N 1 92 ILE CA 1 92 ILE C 1 93 TYR N 108.00 158.00 128.91 124.72 120.46 0.19 6 0 "[ . 1 ]" 148 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 ASP N 91.00 141.00 111.25 91.03 141.81 0.81 10 0 "[ . 1 ]" 149 . 1 95 ASP N 1 95 ASP CA 1 95 ASP C 1 96 GLY N 12.00 62.00 39.42 51.26 47.93 . . 0 "[ . 1 ]" 150 . 1 96 GLY N 1 96 GLY CA 1 96 GLY C 1 97 LYS N -44.00 46.00 11.53 23.58 21.75 3.01 10 0 "[ . 1 ]" 151 . 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 MET N 114.00 164.00 141.73 111.69 164.05 2.31 10 0 "[ . 1 ]" 152 . 1 98 MET N 1 98 MET CA 1 98 MET C 1 99 VAL N 84.00 174.00 104.62 80.64 166.75 3.36 10 0 "[ . 1 ]" 153 . 1 99 VAL N 1 99 VAL CA 1 99 VAL C 1 100 ASN N -58.00 -8.00 -26.43 -19.35 -27.67 1.85 10 0 "[ . 1 ]" 154 . 1 100 ASN N 1 100 ASN CA 1 100 ASN C 1 101 GLU N -64.00 -14.00 -33.29 -63.76 -16.57 . . 0 "[ . 1 ]" 155 . 1 101 GLU N 1 101 GLU CA 1 101 GLU C 1 102 ALA N -69.00 -19.00 -24.14 -18.75 -18.83 0.29 5 0 "[ . 1 ]" 156 . 1 102 ALA N 1 102 ALA CA 1 102 ALA C 1 103 LEU N -84.00 6.00 -64.96 -46.55 -69.66 0.87 6 0 "[ . 1 ]" 157 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 VAL N -66.00 -16.00 -39.85 -66.21 -15.96 0.21 5 0 "[ . 1 ]" 158 . 1 104 VAL N 1 104 VAL CA 1 104 VAL C 1 105 ARG N -62.00 -12.00 -26.59 -23.87 -26.43 0.26 12 0 "[ . 1 ]" 159 . 1 105 ARG N 1 105 ARG CA 1 105 ARG C 1 106 GLN N -66.00 -16.00 -21.86 -34.86 -15.58 0.42 4 0 "[ . 1 ]" 160 . 1 106 GLN N 1 106 GLN CA 1 106 GLN C 1 107 GLY N -27.00 23.00 8.11 19.12 10.13 0.29 7 0 "[ . 1 ]" 161 . 1 107 GLY N 1 107 GLY CA 1 107 GLY C 1 108 LEU N -3.00 47.00 22.54 -4.59 47.80 1.59 6 0 "[ . 1 ]" stop_ save_
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