NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
556217 | 2m0a | 18587 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m0a save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 160 _TA_constraint_stats_list.Viol_count 550 _TA_constraint_stats_list.Viol_total 167445.67 _TA_constraint_stats_list.Viol_max 147.77 _TA_constraint_stats_list.Viol_rms 12.44 _TA_constraint_stats_list.Viol_average_all_restraints 2.37 _TA_constraint_stats_list.Viol_average_violations_only 14.50 _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 8 ASP C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -133.10 -36.50 -74.21 -135.27 -27.22 9.28 1 1 "[+ . 1 . 2 ]" 2 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 PRO N 118.20 158.70 146.37 151.52 148.22 1.55 13 0 "[ . 1 . 2 ]" 3 . 1 12 VAL C 1 13 ARG N 1 13 ARG CA 1 13 ARG C -157.60 -41.80 -113.42 -157.48 -173.78 16.18 1 1 "[+ . 1 . 2 ]" 4 . 1 13 ARG N 1 13 ARG CA 1 13 ARG C 1 14 LYS N 91.70 -174.10 155.66 137.33 120.28 2.08 6 0 "[ . 1 . 2 ]" 5 . 1 13 ARG C 1 14 LYS N 1 14 LYS CA 1 14 LYS C -136.10 -53.50 -69.75 -112.70 -179.74 43.64 1 1 "[+ . 1 . 2 ]" 6 . 1 14 LYS N 1 14 LYS CA 1 14 LYS C 1 15 ILE N 96.70 175.40 140.74 98.03 -175.77 8.83 1 1 "[+ . 1 . 2 ]" 7 . 1 14 LYS C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -139.90 -44.70 -72.98 -83.52 -109.45 3.39 13 0 "[ . 1 . 2 ]" 8 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 PRO N 77.90 169.20 142.49 81.89 164.13 . . 0 "[ . 1 . 2 ]" 9 . 1 16 PRO C 1 17 SER N 1 17 SER CA 1 17 SER C -124.30 -61.90 -78.61 -114.63 -61.47 0.43 21 0 "[ . 1 . 2 ]" 10 . 1 17 SER N 1 17 SER CA 1 17 SER C 1 18 THR N -39.20 13.10 -2.52 -40.32 17.74 4.64 1 0 "[ . 1 . 2 ]" 11 . 1 17 SER C 1 18 THR N 1 18 THR CA 1 18 THR C -166.90 -89.00 -102.37 -89.79 -105.41 3.75 2 0 "[ . 1 . 2 ]" 12 . 1 18 THR N 1 18 THR CA 1 18 THR C 1 19 ARG N 133.90 -170.80 169.53 160.52 158.53 0.59 13 0 "[ . 1 . 2 ]" 13 . 1 18 THR C 1 19 ARG N 1 19 ARG CA 1 19 ARG C 179.00 -105.80 -125.44 -158.45 -103.11 2.69 1 0 "[ . 1 . 2 ]" 14 . 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 LYS N 121.70 176.90 158.74 165.12 160.00 0.97 18 0 "[ . 1 . 2 ]" 15 . 1 19 ARG C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -150.70 -74.10 -118.32 -145.54 -83.20 . . 0 "[ . 1 . 2 ]" 16 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 ILE N 107.00 149.20 138.20 133.72 126.71 . . 0 "[ . 1 . 2 ]" 17 . 1 20 LYS C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -140.20 -92.80 -120.24 -140.91 -99.16 0.71 16 0 "[ . 1 . 2 ]" 18 . 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 LYS N 118.00 146.20 140.46 122.40 149.30 3.10 15 0 "[ . 1 . 2 ]" 19 . 1 21 ILE C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -137.80 -90.70 -124.83 -138.88 -95.24 1.08 11 0 "[ . 1 . 2 ]" 20 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 ILE N 95.80 145.60 33.02 -35.23 121.50 131.03 4 17 "[** +* **** ** **-****]" 21 . 1 22 LYS C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -130.30 -85.90 -100.28 -118.34 -84.93 0.97 9 0 "[ . 1 . 2 ]" 22 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 THR N 98.40 140.80 121.17 122.30 118.63 1.08 13 0 "[ . 1 . 2 ]" 23 . 1 23 ILE C 1 24 THR N 1 24 THR CA 1 24 THR C -133.90 -68.90 -136.94 -168.06 -66.91 34.16 11 10 "[ ***. ** 1+- * ** ]" 24 . 1 24 THR N 1 24 THR CA 1 24 THR C 1 25 PHE N 97.10 145.00 134.06 137.59 134.48 1.60 10 0 "[ . 1 . 2 ]" 25 . 1 24 THR C 1 25 PHE N 1 25 PHE CA 1 25 PHE C -167.10 -37.50 -98.07 -161.06 -57.39 . . 0 "[ . 1 . 2 ]" 26 . 1 25 PHE N 1 25 PHE CA 1 25 PHE C 1 26 ALA N 109.10 142.30 125.28 116.58 114.90 1.93 6 0 "[ . 1 . 2 ]" 27 . 1 25 PHE C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -134.80 -59.90 -106.06 -137.79 -59.34 2.99 17 0 "[ . 1 . 2 ]" 28 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 LEU N 109.90 151.20 130.48 133.33 118.60 2.58 16 0 "[ . 1 . 2 ]" 29 . 1 29 ALA C 1 30 THR N 1 30 THR CA 1 30 THR C -83.30 -46.10 -59.91 -63.20 -49.74 . . 0 "[ . 1 . 2 ]" 30 . 1 30 THR N 1 30 THR CA 1 30 THR C 1 31 PHE N -58.50 -3.60 -52.02 -59.77 -63.89 6.18 1 2 "[+ . 1 . 2-]" 31 . 1 30 THR C 1 31 PHE N 1 31 PHE CA 1 31 PHE C -147.30 -30.20 -65.83 -72.63 -75.68 . . 0 "[ . 1 . 2 ]" 32 . 1 31 PHE N 1 31 PHE CA 1 31 PHE C 1 32 ASP N -82.00 43.00 -22.96 -44.52 16.49 . . 0 "[ . 1 . 2 ]" 33 . 1 32 ASP C 1 33 SER N 1 33 SER CA 1 33 SER C -77.60 -49.10 -67.19 -65.25 -66.89 . . 0 "[ . 1 . 2 ]" 34 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 VAL N -57.00 -21.50 -41.49 -48.21 -33.51 . . 0 "[ . 1 . 2 ]" 35 . 1 33 SER C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -87.60 -43.00 -63.98 -66.51 -70.90 . . 0 "[ . 1 . 2 ]" 36 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 LEU N -67.50 -20.40 -47.26 -47.45 -48.22 . . 0 "[ . 1 . 2 ]" 37 . 1 34 VAL C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -75.30 -52.40 -63.86 -63.84 -64.05 . . 0 "[ . 1 . 2 ]" 38 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 SER N -62.70 -14.20 -42.98 -51.02 -40.73 . . 0 "[ . 1 . 2 ]" 39 . 1 35 LEU C 1 36 SER N 1 36 SER CA 1 36 SER C -73.10 -52.10 -61.31 -62.27 -62.54 . . 0 "[ . 1 . 2 ]" 40 . 1 36 SER N 1 36 SER CA 1 36 SER C 1 37 LYS N -58.80 -23.60 -43.99 -50.25 -35.47 . . 0 "[ . 1 . 2 ]" 41 . 1 36 SER C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -95.50 -55.10 -69.31 -85.08 -62.04 . . 0 "[ . 1 . 2 ]" 42 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 ALA N -61.50 -17.00 -36.61 -47.10 -16.14 0.86 11 0 "[ . 1 . 2 ]" 43 . 1 37 LYS C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -99.30 -55.30 -74.97 -69.27 -72.73 . . 0 "[ . 1 . 2 ]" 44 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 CYS N -53.50 -12.80 -51.02 -92.93 23.62 39.43 12 11 "[ -** ***+ **** 2 ]" 45 . 1 40 SER C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -174.10 -65.50 -150.06 -174.45 -85.47 0.35 3 0 "[ . 1 . 2 ]" 46 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 PHE N 111.50 168.40 138.58 146.51 144.95 . . 0 "[ . 1 . 2 ]" 47 . 1 41 GLU C 1 42 PHE N 1 42 PHE CA 1 42 PHE C -171.20 -85.90 -133.82 -142.12 -142.94 . . 0 "[ . 1 . 2 ]" 48 . 1 42 PHE N 1 42 PHE CA 1 42 PHE C 1 43 GLU N 100.90 156.40 137.82 146.82 141.76 1.76 20 0 "[ . 1 . 2 ]" 49 . 1 42 PHE C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -143.30 -85.30 -91.81 -95.50 -105.91 21.53 11 9 "[ - * *+ ** ***2 ]" 50 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 VAL N 101.10 168.10 134.85 124.66 120.07 1.35 14 0 "[ . 1 . 2 ]" 51 . 1 43 GLU C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -160.70 -123.00 -131.70 -146.60 -119.89 3.11 1 0 "[ . 1 . 2 ]" 52 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 ASP N 140.80 -173.70 134.78 116.70 111.95 67.48 16 18 "[*-*** ** ******+ ****]" 53 . 1 44 VAL C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -145.10 -24.40 -103.06 -166.85 -48.84 21.75 16 3 "[ . 1 * .+ - 2 ]" 54 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 LYS N 128.10 169.40 161.96 139.58 172.31 2.91 15 0 "[ . 1 . 2 ]" 55 . 1 45 ASP C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -90.30 -38.20 -68.76 -78.65 -83.44 3.81 11 0 "[ . 1 . 2 ]" 56 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 ASP N -60.00 -9.90 27.55 85.92 39.22 147.77 5 15 "[*** + ***1 -**.* ****]" 57 . 1 47 ASP C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -149.90 -38.00 -110.88 -76.85 -79.03 . . 0 "[ . 1 . 2 ]" 58 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 THR N 106.00 -179.00 137.00 132.46 129.84 . . 0 "[ . 1 . 2 ]" 59 . 1 48 VAL C 1 49 THR N 1 49 THR CA 1 49 THR C -129.60 -61.20 -101.64 -99.25 -101.84 0.34 12 0 "[ . 1 . 2 ]" 60 . 1 49 THR N 1 49 THR CA 1 49 THR C 1 50 LEU N 150.20 -176.60 158.59 -71.36 -160.19 106.48 12 7 "[ * * 1*+ ** - 2 ]" 61 . 1 49 THR C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -71.10 -51.10 -48.12 172.17 -30.31 116.73 2 15 "[*+* **** - * ** ** **]" 62 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 ASP N -50.70 -22.70 -31.58 -27.84 -30.66 9.91 10 2 "[ . +- . 2 ]" 63 . 1 50 LEU C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -70.00 -50.00 -59.32 -56.82 -58.91 1.36 7 0 "[ . 1 . 2 ]" 64 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 GLU N -52.10 -30.10 -48.06 -47.46 -48.60 1.30 10 0 "[ . 1 . 2 ]" 65 . 1 51 ASP C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -75.40 -55.40 -65.81 -65.61 -66.78 . . 0 "[ . 1 . 2 ]" 66 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 LEU N -52.90 -28.10 -37.67 -43.06 -28.59 . . 0 "[ . 1 . 2 ]" 67 . 1 52 GLU C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -77.60 -52.90 -62.12 -65.30 -60.79 . . 0 "[ . 1 . 2 ]" 68 . 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 LEU N -54.00 -26.40 -44.41 -43.92 -45.54 0.34 13 0 "[ . 1 . 2 ]" 69 . 1 53 LEU C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -72.00 -50.80 -63.39 -71.17 -50.73 0.07 4 0 "[ . 1 . 2 ]" 70 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 ASP N -56.30 -30.40 -41.49 -45.12 -35.88 . . 0 "[ . 1 . 2 ]" 71 . 1 54 LEU C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -74.30 -54.30 -66.84 -72.30 -60.64 . . 0 "[ . 1 . 2 ]" 72 . 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 VAL N -51.50 -28.50 -43.50 -49.01 -50.40 0.75 12 0 "[ . 1 . 2 ]" 73 . 1 55 ASP C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -77.60 -57.60 -69.38 -76.64 -62.31 . . 0 "[ . 1 . 2 ]" 74 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 VAL N -55.00 -26.80 -47.04 -54.51 -35.80 . . 0 "[ . 1 . 2 ]" 75 . 1 56 VAL C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -75.90 -55.90 -59.58 -59.85 -60.59 0.35 7 0 "[ . 1 . 2 ]" 76 . 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 LEU N -53.00 -30.90 -46.36 -50.61 -42.70 . . 0 "[ . 1 . 2 ]" 77 . 1 57 VAL C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -69.10 -47.80 -62.93 -64.92 -65.10 0.59 12 0 "[ . 1 . 2 ]" 78 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 ASP N -53.00 -30.80 -52.18 -57.21 -41.22 4.21 8 0 "[ . 1 . 2 ]" 79 . 1 58 LEU C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -72.70 -52.60 -55.86 -57.41 -58.99 2.74 3 0 "[ . 1 . 2 ]" 80 . 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 ALA N -53.50 -33.50 -38.83 -41.82 -42.08 2.65 7 0 "[ . 1 . 2 ]" 81 . 1 59 ASP C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -79.20 -55.40 -61.64 -69.71 -56.93 . . 0 "[ . 1 . 2 ]" 82 . 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 VAL N -53.30 -23.10 -48.12 -42.44 -46.52 3.16 19 0 "[ . 1 . 2 ]" 83 . 1 60 ALA C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -78.00 -58.00 -64.17 -69.10 -61.59 . . 0 "[ . 1 . 2 ]" 84 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 GLU N -52.60 -31.20 -44.09 -48.98 -38.58 . . 0 "[ . 1 . 2 ]" 85 . 1 61 VAL C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -72.30 -52.30 -63.12 -73.11 -45.32 6.98 3 1 "[ + . 1 . 2 ]" 86 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 SER N -51.40 -30.70 -43.48 -53.39 -36.49 1.99 3 0 "[ . 1 . 2 ]" 87 . 1 62 GLU C 1 63 SER N 1 63 SER CA 1 63 SER C -79.30 -50.70 -62.53 -66.90 -69.51 . . 0 "[ . 1 . 2 ]" 88 . 1 63 SER N 1 63 SER CA 1 63 SER C 1 64 THR N -53.80 -25.60 -46.58 -54.86 -33.35 1.06 20 0 "[ . 1 . 2 ]" 89 . 1 63 SER C 1 64 THR N 1 64 THR CA 1 64 THR C -88.00 -45.40 -68.02 -63.34 -66.15 . . 0 "[ . 1 . 2 ]" 90 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 LEU N -55.00 -35.00 -52.57 -46.59 -48.59 49.34 3 8 "[ +-. ** * .*** 2 ]" 91 . 1 64 THR C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -107.40 -55.00 -103.61 -110.58 -87.73 3.18 19 0 "[ . 1 . 2 ]" 92 . 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 SER N -61.80 23.00 78.82 76.47 73.21 86.67 17 20 "[** ***********-*+****]" 93 . 1 65 LEU C 1 66 SER N 1 66 SER CA 1 66 SER C -77.10 -35.00 -75.09 -77.87 -78.14 2.05 20 0 "[ . 1 . 2 ]" 94 . 1 66 SER N 1 66 SER CA 1 66 SER C 1 67 PRO N -58.40 -24.40 -46.98 -47.14 -47.87 2.40 13 0 "[ . 1 . 2 ]" 95 . 1 67 PRO C 1 68 CYS N 1 68 CYS CA 1 68 CYS C -132.30 -68.80 -121.94 -134.98 -68.02 2.68 13 0 "[ . 1 . 2 ]" 96 . 1 68 CYS N 1 68 CYS CA 1 68 CYS C 1 69 LYS N -36.20 35.90 -36.19 -80.67 -10.04 44.47 12 7 "[ * * *1*+ -. * 2 ]" 97 . 1 68 CYS C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -67.10 -47.10 -64.49 -70.54 -48.50 3.44 16 0 "[ . 1 . 2 ]" 98 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 GLU N -48.80 -6.70 -15.95 -37.44 -5.44 1.26 8 0 "[ . 1 . 2 ]" 99 . 1 69 LYS C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -117.80 -76.40 -73.42 -72.39 -72.62 4.61 21 0 "[ . 1 . 2 ]" 100 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 HIS N -42.70 27.90 -27.22 -39.03 -39.81 0.83 18 0 "[ . 1 . 2 ]" 101 . 1 70 GLU C 1 71 HIS N 1 71 HIS CA 1 71 HIS C -145.80 -28.70 -103.42 -136.78 -76.61 . . 0 "[ . 1 . 2 ]" 102 . 1 71 HIS N 1 71 HIS CA 1 71 HIS C 1 72 ASP N 90.50 167.40 121.71 124.58 120.81 . . 0 "[ . 1 . 2 ]" 103 . 1 71 HIS C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -77.80 -56.00 -65.34 -82.43 -58.32 4.63 18 0 "[ . 1 . 2 ]" 104 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 VAL N -62.00 -9.70 -41.94 -36.44 -37.95 3.30 18 0 "[ . 1 . 2 ]" 105 . 1 72 ASP C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -97.00 -35.90 -63.96 -60.27 -60.85 . . 0 "[ . 1 . 2 ]" 106 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 ILE N -56.60 -20.20 -45.43 -46.55 -47.24 0.93 15 0 "[ . 1 . 2 ]" 107 . 1 73 VAL C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -117.50 -65.20 -87.22 -108.49 -65.47 . . 0 "[ . 1 . 2 ]" 108 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 GLY N -33.00 19.60 -17.93 -23.37 -26.76 27.24 17 3 "[ * 1 - + 2 ]" 109 . 1 75 GLY C 1 76 THR N 1 76 THR CA 1 76 THR C -74.90 -54.90 -10.18 -82.53 78.32 133.22 13 18 "[** ** **** *+*****-**]" 110 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 LYS N -54.50 -34.00 -26.35 -26.41 -28.36 25.74 14 12 "[ * *.**-** *+. ***2 ]" 111 . 1 76 THR C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -74.70 -54.70 -59.50 -63.72 -53.93 0.77 1 0 "[ . 1 . 2 ]" 112 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 VAL N -51.70 -31.70 -37.29 -62.76 -11.02 20.68 13 4 "[ - 1 + .** 2 ]" 113 . 1 77 LYS C 1 78 VAL N 1 78 VAL CA 1 78 VAL C -75.30 -55.30 -60.55 -65.50 -68.18 2.80 17 0 "[ . 1 . 2 ]" 114 . 1 78 VAL N 1 78 VAL CA 1 78 VAL C 1 79 CYS N -53.60 -32.90 -44.95 -45.67 -46.15 0.91 13 0 "[ . 1 . 2 ]" 115 . 1 78 VAL C 1 79 CYS N 1 79 CYS CA 1 79 CYS C -71.40 -48.00 -64.59 -70.08 -57.18 . . 0 "[ . 1 . 2 ]" 116 . 1 79 CYS N 1 79 CYS CA 1 79 CYS C 1 80 ALA N -49.70 -29.70 -44.59 -50.84 -34.57 1.14 17 0 "[ . 1 . 2 ]" 117 . 1 79 CYS C 1 80 ALA N 1 80 ALA CA 1 80 ALA C -75.30 -51.20 -63.37 -65.80 -65.99 . . 0 "[ . 1 . 2 ]" 118 . 1 80 ALA N 1 80 ALA CA 1 80 ALA C 1 81 LEU N -57.20 -30.80 -43.51 -54.03 -36.03 . . 0 "[ . 1 . 2 ]" 119 . 1 80 ALA C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -71.70 -51.70 -60.64 -64.15 -50.99 0.71 20 0 "[ . 1 . 2 ]" 120 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 LEU N -56.60 -28.10 -43.50 -45.00 -45.31 . . 0 "[ . 1 . 2 ]" 121 . 1 82 LEU C 1 83 ASP N 1 83 ASP CA 1 83 ASP C -72.20 -51.40 -62.43 -62.42 -62.88 . . 0 "[ . 1 . 2 ]" 122 . 1 83 ASP N 1 83 ASP CA 1 83 ASP C 1 84 ARG N -55.30 -29.50 -43.71 -50.92 -38.74 . . 0 "[ . 1 . 2 ]" 123 . 1 83 ASP C 1 84 ARG N 1 84 ARG CA 1 84 ARG C -73.70 -53.70 -66.11 -70.36 -62.08 . . 0 "[ . 1 . 2 ]" 124 . 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 LEU N -59.00 -29.60 -40.54 -38.74 -39.43 . . 0 "[ . 1 . 2 ]" 125 . 1 84 ARG C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -75.60 -55.60 -66.13 -70.56 -73.50 1.09 9 0 "[ . 1 . 2 ]" 126 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 ALA N -54.30 -11.60 -31.94 -46.33 -11.99 . . 0 "[ . 1 . 2 ]" 127 . 1 85 LEU C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -109.20 -60.00 -68.08 -111.21 -57.19 2.81 8 0 "[ . 1 . 2 ]" 128 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 GLY N -47.00 13.80 -33.47 -49.85 0.28 2.85 2 0 "[ . 1 . 2 ]" 129 . 1 89 TYR C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -149.30 -52.10 -105.01 -146.38 -150.12 3.74 14 0 "[ . 1 . 2 ]" 130 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 TYR N 94.40 168.70 142.96 125.14 115.40 . . 0 "[ . 1 . 2 ]" 131 . 1 90 VAL C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -144.90 -65.00 -105.28 -144.31 -72.17 . . 0 "[ . 1 . 2 ]" 132 . 1 91 TYR N 1 91 TYR CA 1 91 TYR C 1 92 LEU N 123.40 164.00 149.36 132.21 164.23 0.23 9 0 "[ . 1 . 2 ]" 133 . 1 91 TYR C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -161.60 -102.60 -127.03 -136.17 -142.35 . . 0 "[ . 1 . 2 ]" 134 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 PHE N 122.20 -176.60 130.94 121.68 154.64 0.52 6 0 "[ . 1 . 2 ]" 135 . 1 92 LEU C 1 93 PHE N 1 93 PHE CA 1 93 PHE C -177.50 -106.40 -141.85 -137.15 -140.98 . . 0 "[ . 1 . 2 ]" 136 . 1 93 PHE N 1 93 PHE CA 1 93 PHE C 1 94 ASP N 134.50 176.10 154.88 147.28 166.45 . . 0 "[ . 1 . 2 ]" 137 . 1 93 PHE C 1 94 ASP N 1 94 ASP CA 1 94 ASP C -109.40 -74.80 -80.42 -93.65 -73.03 1.77 7 0 "[ . 1 . 2 ]" 138 . 1 94 ASP N 1 94 ASP CA 1 94 ASP C 1 95 GLU N 148.40 -156.20 -175.83 167.84 -156.65 . . 0 "[ . 1 . 2 ]" 139 . 1 94 ASP C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -74.90 -41.20 -67.37 -76.16 -47.03 1.26 2 0 "[ . 1 . 2 ]" 140 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 GLY N -58.10 15.40 18.11 -59.77 68.37 52.97 11 14 "[*-* ** ***+***. * 2*]" 141 . 1 97 GLY C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -158.80 -42.10 -83.30 -146.98 -62.31 . . 0 "[ . 1 . 2 ]" 142 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 GLU N 105.70 163.90 129.75 108.83 169.63 5.73 11 1 "[ . 1+ . 2 ]" 143 . 1 98 ASP C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -148.10 -41.30 -68.17 -55.60 -63.31 . . 0 "[ . 1 . 2 ]" 144 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 VAL N 90.40 -177.80 89.36 86.40 93.22 4.00 2 0 "[ . 1 . 2 ]" 145 . 1 99 GLU C 1 100 VAL N 1 100 VAL CA 1 100 VAL C -179.70 -89.10 -148.72 -164.65 -135.69 . . 0 "[ . 1 . 2 ]" 146 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C 1 101 ILE N 132.10 -176.60 141.23 130.64 162.83 1.46 10 0 "[ . 1 . 2 ]" 147 . 1 100 VAL C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -129.80 -60.60 -74.78 -83.16 -89.86 1.49 7 0 "[ . 1 . 2 ]" 148 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C 1 102 ALA N 85.30 156.80 129.62 127.14 123.88 . . 0 "[ . 1 . 2 ]" 149 . 1 101 ILE C 1 102 ALA N 1 102 ALA CA 1 102 ALA C -161.50 -64.90 -150.73 -161.27 -139.48 . . 0 "[ . 1 . 2 ]" 150 . 1 102 ALA N 1 102 ALA CA 1 102 ALA C 1 103 PRO N 110.50 -163.80 169.76 152.46 178.15 . . 0 "[ . 1 . 2 ]" 151 . 1 104 ARG C 1 105 MET N 1 105 MET CA 1 105 MET C -162.90 -104.00 -118.32 -106.08 -114.81 1.41 19 0 "[ . 1 . 2 ]" 152 . 1 105 MET N 1 105 MET CA 1 105 MET C 1 106 TYR N 126.50 -179.10 149.09 147.05 145.24 . . 0 "[ . 1 . 2 ]" 153 . 1 105 MET C 1 106 TYR N 1 106 TYR CA 1 106 TYR C 178.20 -78.80 -117.61 -161.49 -87.55 . . 0 "[ . 1 . 2 ]" 154 . 1 106 TYR N 1 106 TYR CA 1 106 TYR C 1 107 CYS N 97.10 -177.10 114.15 118.54 114.14 0.77 15 0 "[ . 1 . 2 ]" 155 . 1 106 TYR C 1 107 CYS N 1 107 CYS CA 1 107 CYS C -160.80 -79.20 -110.73 -126.05 -90.24 . . 0 "[ . 1 . 2 ]" 156 . 1 107 CYS N 1 107 CYS CA 1 107 CYS C 1 108 SER N 97.50 162.90 117.05 108.40 128.94 . . 0 "[ . 1 . 2 ]" 157 . 1 107 CYS C 1 108 SER N 1 108 SER CA 1 108 SER C -177.70 -100.40 -170.78 -174.41 -175.74 . . 0 "[ . 1 . 2 ]" 158 . 1 108 SER N 1 108 SER CA 1 108 SER C 1 109 PHE N 97.30 -148.00 171.76 168.45 167.20 . . 0 "[ . 1 . 2 ]" 159 . 1 110 SER C 1 111 ALA N 1 111 ALA CA 1 111 ALA C -109.80 -52.90 -92.82 -109.25 -53.54 . . 0 "[ . 1 . 2 ]" 160 . 1 111 ALA N 1 111 ALA CA 1 111 ALA C 1 112 PRO N 124.50 169.10 168.80 169.98 162.26 1.69 2 0 "[ . 1 . 2 ]" stop_ save_
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