NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
449083 |
2ofn   |
15038 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ofn
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 185
_TA_constraint_stats_list.Viol_count 677
_TA_constraint_stats_list.Viol_total 14260.29
_TA_constraint_stats_list.Viol_max 4.85
_TA_constraint_stats_list.Viol_rms 0.54
_TA_constraint_stats_list.Viol_average_all_restraints 0.19
_TA_constraint_stats_list.Viol_average_violations_only 1.05
_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 6 GLU C 1 7 PHE N 1 7 PHE CA 1 7 PHE C -180.00 -40.00 -100.29 -141.57 -57.87 . . 0 "[ . 1 . 2]"
2 . 1 7 PHE N 1 7 PHE CA 1 7 PHE C 1 8 GLU N 89.00 -171.00 148.73 -170.86 169.80 0.14 2 0 "[ . 1 . 2]"
3 . 1 7 PHE C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -146.90 -51.40 -95.67 -127.28 -73.10 . . 0 "[ . 1 . 2]"
4 . 1 8 GLU N 1 8 GLU CA 1 8 GLU C 1 9 LYS N 79.90 174.20 150.47 136.53 170.81 . . 0 "[ . 1 . 2]"
5 . 1 8 GLU C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -128.60 -74.70 -99.24 -94.42 -97.58 . . 0 "[ . 1 . 2]"
6 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 VAL N 101.90 161.00 143.95 125.82 157.24 . . 0 "[ . 1 . 2]"
7 . 1 9 LYS C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -135.80 -103.60 -103.69 -101.34 -101.42 2.61 15 0 "[ . 1 . 2]"
8 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 GLU N 105.70 144.70 108.74 103.49 120.55 2.21 14 0 "[ . 1 . 2]"
9 . 1 10 VAL C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -102.00 -62.00 -93.32 -103.45 -78.85 1.45 2 0 "[ . 1 . 2]"
10 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 LEU N 100.00 152.00 118.05 112.56 110.37 0.26 17 0 "[ . 1 . 2]"
11 . 1 12 LEU C 1 13 THR N 1 13 THR CA 1 13 THR C -178.00 -54.00 -66.81 -61.73 -62.97 . . 0 "[ . 1 . 2]"
12 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 ALA N 144.00 -176.00 158.34 144.90 177.17 . . 0 "[ . 1 . 2]"
13 . 1 13 THR C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -76.00 -52.00 -69.16 -71.48 -72.66 . . 0 "[ . 1 . 2]"
14 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 ASP N -35.00 1.00 -4.92 -0.82 -2.76 1.11 14 0 "[ . 1 . 2]"
15 . 1 14 ALA C 1 15 ASP N 1 15 ASP CA 1 15 ASP C -118.00 -66.00 -82.17 -87.10 -89.57 . . 0 "[ . 1 . 2]"
16 . 1 15 ASP N 1 15 ASP CA 1 15 ASP C 1 16 GLY N -19.00 29.00 14.07 16.64 14.76 1.69 10 0 "[ . 1 . 2]"
17 . 1 15 ASP C 1 16 GLY N 1 16 GLY CA 1 16 GLY C 48.00 120.00 122.69 121.27 124.44 4.44 15 0 "[ . 1 . 2]"
18 . 1 16 GLY N 1 16 GLY CA 1 16 GLY C 1 17 GLY N -33.00 39.00 12.24 -26.17 37.41 . . 0 "[ . 1 . 2]"
19 . 1 17 GLY C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -155.50 -66.80 -135.89 -145.35 -104.06 . . 0 "[ . 1 . 2]"
20 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 ILE N 113.00 157.10 146.00 139.21 154.23 . . 0 "[ . 1 . 2]"
21 . 1 18 VAL C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -146.20 -86.40 -87.19 -88.57 -89.75 1.48 17 0 "[ . 1 . 2]"
22 . 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 LYS N 110.40 142.60 112.02 109.34 120.01 1.06 4 0 "[ . 1 . 2]"
23 . 1 19 ILE C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -141.60 -97.20 -133.70 -142.73 -118.99 1.13 8 0 "[ . 1 . 2]"
24 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 THR N 115.40 146.10 143.57 129.13 148.28 2.18 17 0 "[ . 1 . 2]"
25 . 1 20 LYS C 1 21 THR N 1 21 THR CA 1 21 THR C -143.00 -66.60 -110.21 -101.07 -102.79 . . 0 "[ . 1 . 2]"
26 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 ILE N 106.50 153.20 129.14 114.62 144.25 . . 0 "[ . 1 . 2]"
27 . 1 21 THR C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -98.90 -55.60 -82.01 -80.42 -80.44 . . 0 "[ . 1 . 2]"
28 . 1 22 ILE N 1 22 ILE CA 1 22 ILE C 1 23 LEU N 111.90 147.60 128.20 127.62 126.90 . . 0 "[ . 1 . 2]"
29 . 1 23 LEU C 1 24 LYS N 1 24 LYS CA 1 24 LYS C 179.00 -49.00 -114.20 -150.78 -88.26 . . 0 "[ . 1 . 2]"
30 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 LYS N 98.00 170.00 124.56 97.54 154.82 0.46 12 0 "[ . 1 . 2]"
31 . 1 24 LYS C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -126.80 -31.80 -98.34 -107.09 -111.34 . . 0 "[ . 1 . 2]"
32 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 GLY N 99.60 -178.80 140.72 154.28 150.86 . . 0 "[ . 1 . 2]"
33 . 1 27 ASP C 1 28 GLU N 1 28 GLU CA 1 28 GLU C 156.00 -28.00 -113.78 -121.90 -137.17 . . 0 "[ . 1 . 2]"
34 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 GLY N 126.00 -178.00 149.57 164.83 158.74 0.90 8 0 "[ . 1 . 2]"
35 . 1 29 GLY C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -74.30 -50.10 -65.61 -66.43 -71.03 1.06 13 0 "[ . 1 . 2]"
36 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 GLU N -41.30 -1.40 -36.89 -40.64 -41.29 4.68 10 0 "[ . 1 . 2]"
37 . 1 30 GLU C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -115.00 -51.00 -101.28 -118.47 -81.40 3.47 10 0 "[ . 1 . 2]"
38 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 ASN N -42.00 26.00 6.25 9.28 4.33 2.20 14 0 "[ . 1 . 2]"
39 . 1 31 GLU C 1 32 ASN N 1 32 ASN CA 1 32 ASN C -151.00 -39.00 -116.59 -138.81 -78.69 . . 0 "[ . 1 . 2]"
40 . 1 32 ASN N 1 32 ASN CA 1 32 ASN C 1 33 ILE N 79.00 -161.00 78.56 76.47 76.04 4.10 7 0 "[ . 1 . 2]"
41 . 1 32 ASN C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -156.70 -61.20 -132.73 -137.07 -140.87 . . 0 "[ . 1 . 2]"
42 . 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 PRO N 85.90 -163.50 119.90 108.92 102.22 . . 0 "[ . 1 . 2]"
43 . 1 34 PRO C 1 35 LYS N 1 35 LYS CA 1 35 LYS C -148.20 -95.10 -125.94 -148.78 -94.70 0.58 12 0 "[ . 1 . 2]"
44 . 1 35 LYS N 1 35 LYS CA 1 35 LYS C 1 36 LYS N 103.70 -160.30 156.80 142.06 -173.68 . . 0 "[ . 1 . 2]"
45 . 1 35 LYS C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -92.00 -32.00 -67.82 -65.43 -67.88 . . 0 "[ . 1 . 2]"
46 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 GLY N 118.00 150.00 139.40 117.54 153.88 3.88 1 0 "[ . 1 . 2]"
47 . 1 36 LYS C 1 37 GLY N 1 37 GLY CA 1 37 GLY C 85.00 105.00 99.04 89.89 86.68 1.53 9 0 "[ . 1 . 2]"
48 . 1 37 GLY N 1 37 GLY CA 1 37 GLY C 1 38 ASN N -26.00 -6.00 -18.82 -27.15 -5.11 1.15 11 0 "[ . 1 . 2]"
49 . 1 38 ASN C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -127.60 -55.10 -82.21 -85.27 -87.05 . . 0 "[ . 1 . 2]"
50 . 1 39 GLU N 1 39 GLU CA 1 39 GLU C 1 40 VAL N 95.80 145.20 107.17 94.21 132.26 1.59 4 0 "[ . 1 . 2]"
51 . 1 39 GLU C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -143.00 -93.10 -117.36 -125.06 -130.80 . . 0 "[ . 1 . 2]"
52 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 THR N 95.80 -178.00 149.92 159.29 156.41 . . 0 "[ . 1 . 2]"
53 . 1 40 VAL C 1 41 THR N 1 41 THR CA 1 41 THR C -132.70 -80.30 -120.28 -133.97 -96.72 1.27 13 0 "[ . 1 . 2]"
54 . 1 41 THR N 1 41 THR CA 1 41 THR C 1 42 VAL N 106.80 154.70 112.41 119.42 116.94 1.19 10 0 "[ . 1 . 2]"
55 . 1 41 THR C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -144.70 -118.80 -127.34 -131.82 -134.87 1.56 4 0 "[ . 1 . 2]"
56 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 HIS N 124.40 -167.70 147.42 130.03 160.80 . . 0 "[ . 1 . 2]"
57 . 1 42 VAL C 1 43 HIS N 1 43 HIS CA 1 43 HIS C -150.20 -101.30 -106.39 -105.60 -110.17 1.34 5 0 "[ . 1 . 2]"
58 . 1 43 HIS N 1 43 HIS CA 1 43 HIS C 1 44 TYR N 128.50 162.00 141.69 143.84 142.91 0.54 4 0 "[ . 1 . 2]"
59 . 1 43 HIS C 1 44 TYR N 1 44 TYR CA 1 44 TYR C -162.10 -124.20 -132.27 -145.58 -122.87 1.33 16 0 "[ . 1 . 2]"
60 . 1 44 TYR N 1 44 TYR CA 1 44 TYR C 1 45 VAL N 128.80 165.70 138.22 127.84 144.50 0.96 10 0 "[ . 1 . 2]"
61 . 1 44 TYR C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -167.30 -90.80 -166.81 -168.32 -168.45 1.84 11 0 "[ . 1 . 2]"
62 . 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 GLY N 105.10 160.80 155.65 144.43 161.58 0.78 1 0 "[ . 1 . 2]"
63 . 1 46 GLY C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -157.00 -88.10 -154.40 -151.68 -155.45 1.45 7 0 "[ . 1 . 2]"
64 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 LEU N 102.10 171.10 170.62 165.76 173.28 2.18 18 0 "[ . 1 . 2]"
65 . 1 47 LYS C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -96.30 -59.10 -89.40 -89.52 -90.90 0.96 14 0 "[ . 1 . 2]"
66 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 GLU N 98.30 -169.50 102.20 97.42 109.71 0.88 16 0 "[ . 1 . 2]"
67 . 1 48 LEU C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -68.10 -47.40 -64.12 -57.59 -58.71 1.09 11 0 "[ . 1 . 2]"
68 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 SER N -59.80 -7.80 -27.73 -35.33 -20.65 . . 0 "[ . 1 . 2]"
69 . 1 49 GLU C 1 50 SER N 1 50 SER CA 1 50 SER C -97.40 -55.50 -55.95 -63.17 -54.30 1.20 6 0 "[ . 1 . 2]"
70 . 1 50 SER N 1 50 SER CA 1 50 SER C 1 51 THR N -58.80 8.60 -29.04 -20.11 -25.35 . . 0 "[ . 1 . 2]"
71 . 1 50 SER C 1 51 THR N 1 51 THR CA 1 51 THR C -140.00 -80.00 -133.21 -134.90 -136.52 0.55 17 0 "[ . 1 . 2]"
72 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 GLY N -33.00 23.00 -9.19 -31.62 14.55 . . 0 "[ . 1 . 2]"
73 . 1 52 GLY C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -180.00 -22.90 -99.97 -81.49 -84.19 . . 0 "[ . 1 . 2]"
74 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 VAL N 85.70 -172.60 126.77 120.96 118.55 . . 0 "[ . 1 . 2]"
75 . 1 53 LYS C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -161.30 -55.50 -76.79 -84.59 -64.07 . . 0 "[ . 1 . 2]"
76 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 PHE N 101.30 167.80 157.69 153.46 152.14 . . 0 "[ . 1 . 2]"
77 . 1 54 VAL C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -155.00 -75.00 -75.15 -80.26 -72.96 2.04 3 0 "[ . 1 . 2]"
78 . 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 ASP N 99.00 -173.00 114.20 98.47 147.86 0.53 18 0 "[ . 1 . 2]"
79 . 1 55 PHE C 1 56 ASP N 1 56 ASP CA 1 56 ASP C -167.00 -55.00 -134.22 -116.87 -121.70 . . 0 "[ . 1 . 2]"
80 . 1 56 ASP N 1 56 ASP CA 1 56 ASP C 1 57 SER N 86.00 176.00 88.47 85.58 85.30 1.28 8 0 "[ . 1 . 2]"
81 . 1 56 ASP C 1 57 SER N 1 57 SER CA 1 57 SER C -136.00 -56.00 -130.63 -138.58 -116.13 2.58 9 0 "[ . 1 . 2]"
82 . 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 SER N 62.00 -166.00 169.48 147.03 -171.01 . . 0 "[ . 1 . 2]"
83 . 1 57 SER C 1 58 SER N 1 58 SER CA 1 58 SER C -70.60 -47.00 -64.14 -62.60 -67.36 2.30 7 0 "[ . 1 . 2]"
84 . 1 58 SER N 1 58 SER CA 1 58 SER C 1 59 PHE N -45.50 -21.30 -37.12 -48.00 -20.40 2.50 19 0 "[ . 1 . 2]"
85 . 1 58 SER C 1 59 PHE N 1 59 PHE CA 1 59 PHE C -93.20 -37.30 -91.76 -94.20 -94.62 3.22 20 0 "[ . 1 . 2]"
86 . 1 59 PHE N 1 59 PHE CA 1 59 PHE C 1 60 ASP N -54.20 -34.20 -44.66 -51.59 -55.65 1.45 1 0 "[ . 1 . 2]"
87 . 1 59 PHE C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -78.60 -46.10 -59.22 -54.40 -56.14 0.21 8 0 "[ . 1 . 2]"
88 . 1 60 ASP N 1 60 ASP CA 1 60 ASP C 1 61 ARG N -63.10 -8.30 -39.96 -37.87 -40.30 . . 0 "[ . 1 . 2]"
89 . 1 60 ASP C 1 61 ARG N 1 61 ARG CA 1 61 ARG C -115.40 -67.70 -83.69 -104.40 -67.35 0.35 10 0 "[ . 1 . 2]"
90 . 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 ASN N -56.40 23.60 -5.71 -23.25 15.38 . . 0 "[ . 1 . 2]"
91 . 1 62 ASN C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -155.00 -87.00 -128.43 -156.13 -86.01 1.13 9 0 "[ . 1 . 2]"
92 . 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 PRO N 93.00 -179.00 116.22 97.81 133.70 . . 0 "[ . 1 . 2]"
93 . 1 64 PRO C 1 65 PHE N 1 65 PHE CA 1 65 PHE C -145.60 -95.20 -97.89 -94.03 -94.39 1.95 10 0 "[ . 1 . 2]"
94 . 1 65 PHE N 1 65 PHE CA 1 65 PHE C 1 66 LYS N 118.80 153.40 148.54 142.44 132.61 1.43 13 0 "[ . 1 . 2]"
95 . 1 65 PHE C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -144.00 -92.00 -131.11 -134.47 -136.51 1.09 3 0 "[ . 1 . 2]"
96 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 PHE N 116.00 172.00 151.28 151.10 147.31 . . 0 "[ . 1 . 2]"
97 . 1 66 LYS C 1 67 PHE N 1 67 PHE CA 1 67 PHE C 175.40 -98.80 -134.41 -153.65 -114.44 . . 0 "[ . 1 . 2]"
98 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 HIS N 125.30 -171.20 175.97 -171.85 -174.23 . . 0 "[ . 1 . 2]"
99 . 1 67 PHE C 1 68 HIS N 1 68 HIS CA 1 68 HIS C -148.80 -58.20 -113.32 -126.45 -94.50 . . 0 "[ . 1 . 2]"
100 . 1 68 HIS N 1 68 HIS CA 1 68 HIS C 1 69 LEU N 97.70 148.20 148.84 149.20 148.97 4.85 13 0 "[ . 1 . 2]"
101 . 1 68 HIS C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -162.00 -30.00 -68.61 -69.40 -70.60 . . 0 "[ . 1 . 2]"
102 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 GLU N 109.00 149.00 125.57 112.86 151.93 2.93 13 0 "[ . 1 . 2]"
103 . 1 70 GLU C 1 71 GLN N 1 71 GLN CA 1 71 GLN C -130.00 -62.00 -106.26 -113.44 -115.84 1.64 14 0 "[ . 1 . 2]"
104 . 1 71 GLN N 1 71 GLN CA 1 71 GLN C 1 72 GLY N -22.00 30.00 6.15 17.39 14.71 . . 0 "[ . 1 . 2]"
105 . 1 71 GLN C 1 72 GLY N 1 72 GLY CA 1 72 GLY C 59.00 103.00 94.09 98.47 92.50 3.13 13 0 "[ . 1 . 2]"
106 . 1 72 GLY N 1 72 GLY CA 1 72 GLY C 1 73 GLU N -18.00 38.00 -14.97 -18.28 -18.53 1.24 17 0 "[ . 1 . 2]"
107 . 1 73 GLU C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -158.00 -98.00 -110.45 -132.30 -97.55 0.45 13 0 "[ . 1 . 2]"
108 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 ILE N 125.00 -179.00 128.25 121.70 135.41 3.30 2 0 "[ . 1 . 2]"
109 . 1 74 VAL C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -95.00 -35.00 -96.48 -99.43 -94.55 4.43 10 0 "[ . 1 . 2]"
110 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 LYS N -76.00 12.00 -65.93 -64.49 -68.43 0.74 11 0 "[ . 1 . 2]"
111 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 GLY N -70.85 -10.85 -49.28 -66.81 -37.78 . . 0 "[ . 1 . 2]"
112 . 1 76 LYS C 1 77 GLY N 1 77 GLY CA 1 77 GLY C -78.00 -53.30 -52.89 -53.61 -54.50 1.22 14 0 "[ . 1 . 2]"
113 . 1 77 GLY N 1 77 GLY CA 1 77 GLY C 1 78 TRP N -51.70 -29.40 -52.37 -53.41 -53.87 2.59 15 0 "[ . 1 . 2]"
114 . 1 77 GLY C 1 78 TRP N 1 78 TRP CA 1 78 TRP C -74.90 -54.90 -75.88 -75.39 -75.63 1.86 19 0 "[ . 1 . 2]"
115 . 1 78 TRP N 1 78 TRP CA 1 78 TRP C 1 79 ASP N -66.40 -7.50 -37.56 -51.53 -27.72 . . 0 "[ . 1 . 2]"
116 . 1 78 TRP C 1 79 ASP N 1 79 ASP CA 1 79 ASP C -71.80 -51.80 -53.89 -63.42 -51.41 0.39 1 0 "[ . 1 . 2]"
117 . 1 79 ASP N 1 79 ASP CA 1 79 ASP C 1 80 ILE N -52.20 -24.00 -51.67 -49.32 -51.57 2.10 4 0 "[ . 1 . 2]"
118 . 1 79 ASP C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -74.50 -52.80 -68.10 -75.38 -59.69 0.88 4 0 "[ . 1 . 2]"
119 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 CYS N -62.60 -27.30 -39.09 -50.97 -29.39 . . 0 "[ . 1 . 2]"
120 . 1 80 ILE C 1 81 CYS N 1 81 CYS CA 1 81 CYS C -75.00 -55.00 -68.09 -65.03 -66.86 2.05 13 0 "[ . 1 . 2]"
121 . 1 81 CYS N 1 81 CYS CA 1 81 CYS C 1 82 VAL N -61.00 -17.10 -46.99 -42.84 -46.10 . . 0 "[ . 1 . 2]"
122 . 1 81 CYS C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -86.50 -45.40 -68.99 -67.98 -69.15 . . 0 "[ . 1 . 2]"
123 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 SER N -53.90 -33.90 -34.25 -32.84 -33.06 1.87 20 0 "[ . 1 . 2]"
124 . 1 82 VAL C 1 83 SER N 1 83 SER CA 1 83 SER C -92.00 -48.00 -73.12 -92.12 -61.10 0.12 13 0 "[ . 1 . 2]"
125 . 1 83 SER N 1 83 SER CA 1 83 SER C 1 84 SER N -47.00 5.00 -13.73 -40.71 5.66 0.66 13 0 "[ . 1 . 2]"
126 . 1 84 SER C 1 85 MET N 1 85 MET CA 1 85 MET C -172.00 -56.00 -108.66 -125.41 -90.81 . . 0 "[ . 1 . 2]"
127 . 1 85 MET N 1 85 MET CA 1 85 MET C 1 86 ARG N 114.00 -174.00 178.61 116.45 -172.12 1.88 13 0 "[ . 1 . 2]"
128 . 1 85 MET C 1 86 ARG N 1 86 ARG CA 1 86 ARG C -167.00 -83.00 -138.93 -127.51 -134.63 0.59 9 0 "[ . 1 . 2]"
129 . 1 86 ARG N 1 86 ARG CA 1 86 ARG C 1 87 LYS N 128.00 -172.00 168.33 159.40 154.97 0.73 14 0 "[ . 1 . 2]"
130 . 1 86 ARG C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -77.00 -45.00 -61.55 -64.42 -65.16 . . 0 "[ . 1 . 2]"
131 . 1 87 LYS N 1 87 LYS CA 1 87 LYS C 1 88 ASN N -60.00 4.00 -25.20 -43.06 -6.09 . . 0 "[ . 1 . 2]"
132 . 1 88 ASN C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -122.00 -66.00 -115.26 -123.70 -79.87 1.70 2 0 "[ . 1 . 2]"
133 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 LYS N 106.00 170.00 149.96 129.38 166.66 . . 0 "[ . 1 . 2]"
134 . 1 89 GLU C 1 90 LYS N 1 90 LYS CA 1 90 LYS C -158.10 -82.70 -149.33 -152.29 -155.23 0.76 13 0 "[ . 1 . 2]"
135 . 1 90 LYS N 1 90 LYS CA 1 90 LYS C 1 91 CYS N 110.70 -178.80 130.46 143.75 138.66 . . 0 "[ . 1 . 2]"
136 . 1 90 LYS C 1 91 CYS N 1 91 CYS CA 1 91 CYS C -150.90 -102.70 -136.28 -150.70 -123.27 . . 0 "[ . 1 . 2]"
137 . 1 91 CYS N 1 91 CYS CA 1 91 CYS C 1 92 LEU N 121.80 171.10 164.31 164.33 162.87 1.72 7 0 "[ . 1 . 2]"
138 . 1 91 CYS C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -138.30 -92.40 -106.49 -94.73 -100.53 1.06 4 0 "[ . 1 . 2]"
139 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 VAL N 103.50 157.30 126.05 111.62 145.63 . . 0 "[ . 1 . 2]"
140 . 1 92 LEU C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -151.30 -101.20 -107.90 -103.77 -105.74 1.31 2 0 "[ . 1 . 2]"
141 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 ARG N 115.90 151.10 142.61 134.59 151.08 . . 0 "[ . 1 . 2]"
142 . 1 93 VAL C 1 94 ARG N 1 94 ARG CA 1 94 ARG C -137.20 -69.70 -101.39 -96.10 -96.50 . . 0 "[ . 1 . 2]"
143 . 1 94 ARG N 1 94 ARG CA 1 94 ARG C 1 95 ILE N 113.00 140.30 113.07 111.13 118.14 1.87 17 0 "[ . 1 . 2]"
144 . 1 94 ARG C 1 95 ILE N 1 95 ILE CA 1 95 ILE C -133.60 -68.90 -94.21 -94.10 -95.84 . . 0 "[ . 1 . 2]"
145 . 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1 96 GLU N 101.30 136.30 103.92 99.80 109.66 1.50 17 0 "[ . 1 . 2]"
146 . 1 96 GLU C 1 97 SER N 1 97 SER CA 1 97 SER C -74.20 -48.50 -52.82 -50.12 -51.01 0.34 2 0 "[ . 1 . 2]"
147 . 1 97 SER N 1 97 SER CA 1 97 SER C 1 98 MET N -49.60 -28.00 -40.87 -48.94 -49.90 0.45 1 0 "[ . 1 . 2]"
148 . 1 97 SER C 1 98 MET N 1 98 MET CA 1 98 MET C -76.50 -56.40 -77.15 -78.56 -74.76 2.06 2 0 "[ . 1 . 2]"
149 . 1 98 MET N 1 98 MET CA 1 98 MET C 1 99 TYR N -45.20 -8.70 -9.93 -11.18 -13.50 1.23 20 0 "[ . 1 . 2]"
150 . 1 98 MET C 1 99 TYR N 1 99 TYR CA 1 99 TYR C -115.50 -68.00 -98.20 -112.65 -84.54 . . 0 "[ . 1 . 2]"
151 . 1 99 TYR N 1 99 TYR CA 1 99 TYR C 1 100 GLY N -23.90 34.20 -5.78 -13.96 -16.27 . . 0 "[ . 1 . 2]"
152 . 1 102 GLY C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -87.50 -39.30 -76.54 -77.88 -81.10 1.53 9 0 "[ . 1 . 2]"
153 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C 1 104 GLU N -66.20 -7.40 -34.03 -47.46 -54.83 0.88 4 0 "[ . 1 . 2]"
154 . 1 103 ASP C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -94.00 -54.00 -77.38 -89.51 -58.55 . . 0 "[ . 1 . 2]"
155 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 GLY N -57.00 11.00 -24.63 7.25 -7.84 0.30 19 0 "[ . 1 . 2]"
156 . 1 105 GLY C 1 106 CYS N 1 106 CYS CA 1 106 CYS C -121.80 -57.30 -86.51 -76.62 -81.80 1.52 10 0 "[ . 1 . 2]"
157 . 1 106 CYS N 1 106 CYS CA 1 106 CYS C 1 107 GLY N 66.50 171.40 123.47 118.81 113.48 . . 0 "[ . 1 . 2]"
158 . 1 107 GLY C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -122.80 -44.00 -85.18 -100.51 -111.51 . . 0 "[ . 1 . 2]"
159 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 SER N -69.80 24.70 -65.20 -72.51 -34.35 2.71 18 0 "[ . 1 . 2]"
160 . 1 108 GLU C 1 109 SER N 1 109 SER CA 1 109 SER C -111.00 -46.50 -99.58 -112.21 -78.50 1.21 11 0 "[ . 1 . 2]"
161 . 1 109 SER N 1 109 SER CA 1 109 SER C 1 110 ILE N -71.95 24.05 -74.45 -72.26 -73.17 4.57 15 0 "[ . 1 . 2]"
162 . 1 114 SER C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -146.00 -78.70 -97.19 -116.82 -86.88 . . 0 "[ . 1 . 2]"
163 . 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 LEU N 96.30 146.80 130.82 125.47 122.21 . . 0 "[ . 1 . 2]"
164 . 1 115 VAL C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -151.60 -79.50 -121.24 -127.21 -111.83 . . 0 "[ . 1 . 2]"
165 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 LEU N 130.20 174.10 164.38 165.29 162.10 0.72 2 0 "[ . 1 . 2]"
166 . 1 116 LEU C 1 117 LEU N 1 117 LEU CA 1 117 LEU C -147.00 -96.10 -126.66 -147.42 -109.44 0.42 5 0 "[ . 1 . 2]"
167 . 1 117 LEU N 1 117 LEU CA 1 117 LEU C 1 118 PHE N 107.60 160.80 123.37 130.83 129.19 . . 0 "[ . 1 . 2]"
168 . 1 117 LEU C 1 118 PHE N 1 118 PHE CA 1 118 PHE C -141.20 -99.80 -119.10 -130.40 -104.07 . . 0 "[ . 1 . 2]"
169 . 1 118 PHE N 1 118 PHE CA 1 118 PHE C 1 119 GLU N 116.90 162.70 134.57 137.93 128.34 . . 0 "[ . 1 . 2]"
170 . 1 118 PHE C 1 119 GLU N 1 119 GLU CA 1 119 GLU C -164.00 -44.00 -78.10 -92.10 -62.63 . . 0 "[ . 1 . 2]"
171 . 1 119 GLU N 1 119 GLU CA 1 119 GLU C 1 120 ILE N 105.00 165.00 122.42 119.44 116.09 . . 0 "[ . 1 . 2]"
172 . 1 119 GLU C 1 120 ILE N 1 120 ILE CA 1 120 ILE C -148.60 -108.30 -109.52 -105.95 -106.41 2.42 19 0 "[ . 1 . 2]"
173 . 1 120 ILE N 1 120 ILE CA 1 120 ILE C 1 121 GLU N 115.90 148.30 122.55 115.40 134.65 0.50 16 0 "[ . 1 . 2]"
174 . 1 120 ILE C 1 121 GLU N 1 121 GLU CA 1 121 GLU C -135.00 -87.00 -126.49 -110.68 -115.91 1.25 7 0 "[ . 1 . 2]"
175 . 1 121 GLU N 1 121 GLU CA 1 121 GLU C 1 122 LEU N 102.00 154.00 120.86 116.00 115.66 . . 0 "[ . 1 . 2]"
176 . 1 121 GLU C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -130.00 -66.00 -88.91 -100.26 -80.69 . . 0 "[ . 1 . 2]"
177 . 1 122 LEU N 1 122 LEU CA 1 122 LEU C 1 123 LEU N 91.00 143.00 104.08 89.60 135.52 1.40 2 0 "[ . 1 . 2]"
178 . 1 122 LEU C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -120.00 -60.00 -96.92 -118.97 -78.79 . . 0 "[ . 1 . 2]"
179 . 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 SER N -67.00 1.00 -27.40 -43.96 -9.45 . . 0 "[ . 1 . 2]"
180 . 1 124 SER C 1 125 PHE N 1 125 PHE CA 1 125 PHE C -166.60 -99.00 -165.87 -168.39 -160.81 1.79 10 0 "[ . 1 . 2]"
181 . 1 125 PHE N 1 125 PHE CA 1 125 PHE C 1 126 ARG N 128.10 -177.90 171.08 171.16 168.16 1.68 18 0 "[ . 1 . 2]"
182 . 1 125 PHE C 1 126 ARG N 1 126 ARG CA 1 126 ARG C -161.40 -107.30 -152.87 -162.33 -125.39 0.93 8 0 "[ . 1 . 2]"
183 . 1 126 ARG N 1 126 ARG CA 1 126 ARG C 1 127 GLU N 106.70 172.60 142.61 137.90 129.48 . . 0 "[ . 1 . 2]"
184 . 1 126 ARG C 1 127 GLU N 1 127 GLU CA 1 127 GLU C -150.10 -53.20 -105.44 -143.78 -71.33 . . 0 "[ . 1 . 2]"
185 . 1 127 GLU N 1 127 GLU CA 1 127 GLU C 1 128 LEU N 115.40 151.60 136.02 135.07 128.58 2.12 18 0 "[ . 1 . 2]"
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