NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
383000 |
1jr6   |
4791 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1jr6
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 32
_TA_constraint_stats_list.Viol_count 79
_TA_constraint_stats_list.Viol_total 1379.08
_TA_constraint_stats_list.Viol_max 2.12
_TA_constraint_stats_list.Viol_rms 0.26
_TA_constraint_stats_list.Viol_average_all_restraints 0.07
_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 . 1 107 ASN N 1 107 ASN CA 1 107 ASN CB 1 107 ASN CG -90.00 -30.00 -89.95 -92.12 -83.89 2.12 21 0 "[ . 1 . 2 .]"
2 . 1 105 ASP N 1 105 ASP CA 1 105 ASP CB 1 105 ASP CG 150.00 -150.00 -149.01 -148.90 -149.03 2.00 17 0 "[ . 1 . 2 .]"
3 . 1 109 SER N 1 109 SER CA 1 109 SER CB 1 109 SER OG 30.00 90.00 79.27 67.86 63.81 . . 0 "[ . 1 . 2 .]"
4 . 1 112 LYS N 1 112 LYS CA 1 112 LYS CB 1 112 LYS CG -90.00 -30.00 -68.52 -54.68 -59.41 . . 0 "[ . 1 . 2 .]"
5 . 1 15 GLU N 1 15 GLU CA 1 15 GLU CB 1 15 GLU CG 150.00 -150.00 -164.15 -159.03 -161.51 . . 0 "[ . 1 . 2 .]"
6 . 1 115 ASP N 1 115 ASP CA 1 115 ASP CB 1 115 ASP CG 30.00 90.00 52.44 49.02 54.95 . . 0 "[ . 1 . 2 .]"
7 . 1 121 GLN N 1 121 GLN CA 1 121 GLN CB 1 121 GLN CG 150.00 -150.00 -164.07 178.02 -150.91 . . 0 "[ . 1 . 2 .]"
8 . 1 123 ARG N 1 123 ARG CA 1 123 ARG CB 1 123 ARG CG 150.00 -150.00 -170.33 162.91 -148.91 1.09 21 0 "[ . 1 . 2 .]"
9 . 1 134 TYR N 1 134 TYR CA 1 134 TYR CB 1 134 TYR CG 150.00 -150.00 -169.65 -167.27 -167.83 . . 0 "[ . 1 . 2 .]"
10 . 1 135 ARG N 1 135 ARG CA 1 135 ARG CB 1 135 ARG CG -90.00 -30.00 -60.10 -59.34 -73.03 0.33 5 0 "[ . 1 . 2 .]"
11 . 1 136 PHE N 1 136 PHE CA 1 136 PHE CB 1 136 PHE CG 30.00 90.00 58.16 50.01 65.38 . . 0 "[ . 1 . 2 .]"
12 . 1 20 SER N 1 20 SER CA 1 20 SER CB 1 20 SER OG 30.00 90.00 78.20 70.90 85.39 . . 0 "[ . 1 . 2 .]"
13 . 1 28 TYR N 1 28 TYR CA 1 28 TYR CB 1 28 TYR CG -90.00 -30.00 -63.38 -62.77 -63.23 . . 0 "[ . 1 . 2 .]"
14 . 1 30 LYS N 1 30 LYS CA 1 30 LYS CB 1 30 LYS CG -90.00 -30.00 -68.48 -59.00 -65.16 . . 0 "[ . 1 . 2 .]"
15 . 1 35 GLU N 1 35 GLU CA 1 35 GLU CB 1 35 GLU CG 30.00 90.00 65.50 60.93 59.23 . . 0 "[ . 1 . 2 .]"
16 . 1 38 LYS N 1 38 LYS CA 1 38 LYS CB 1 38 LYS CG 150.00 -150.00 178.94 169.12 -158.63 . . 0 "[ . 1 . 2 .]"
17 . 1 42 HIS N 1 42 HIS CA 1 42 HIS CB 1 42 HIS CG -90.00 -30.00 -63.57 -68.78 -70.55 . . 0 "[ . 1 . 2 .]"
18 . 1 43 LEU N 1 43 LEU CA 1 43 LEU CB 1 43 LEU CG 150.00 -150.00 175.79 176.76 176.46 . . 0 "[ . 1 . 2 .]"
19 . 1 46 CYS N 1 46 CYS CA 1 46 CYS CB 1 46 CYS SG -90.00 -30.00 -90.05 -90.65 -87.17 0.65 12 0 "[ . 1 . 2 .]"
20 . 1 47 HIS N 1 47 HIS CA 1 47 HIS CB 1 47 HIS CG 30.00 90.00 69.35 54.77 81.04 . . 0 "[ . 1 . 2 .]"
21 . 1 48 SER N 1 48 SER CA 1 48 SER CB 1 48 SER OG 30.00 90.00 40.39 29.88 57.07 0.12 2 0 "[ . 1 . 2 .]"
22 . 1 50 LYS N 1 50 LYS CA 1 50 LYS CB 1 50 LYS CG -90.00 -30.00 -77.21 -63.29 -69.08 . . 0 "[ . 1 . 2 .]"
23 . 1 52 CYS N 1 52 CYS CA 1 52 CYS CB 1 52 CYS SG -90.00 -30.00 -69.71 -90.06 -90.11 0.30 16 0 "[ . 1 . 2 .]"
24 . 1 54 GLU N 1 54 GLU CA 1 54 GLU CB 1 54 GLU CG -90.00 -30.00 -50.83 -51.06 -51.29 . . 0 "[ . 1 . 2 .]"
25 . 1 73 LEU N 1 73 LEU CA 1 73 LEU CB 1 73 LEU CG 150.00 -150.00 -163.61 -166.56 -160.45 . . 0 "[ . 1 . 2 .]"
26 . 1 11 HIS N 1 11 HIS CA 1 11 HIS CB 1 11 HIS CG 30.00 90.00 47.01 33.71 32.78 . . 0 "[ . 1 . 2 .]"
27 . 1 81 ASN N 1 81 ASN CA 1 81 ASN CB 1 81 ASN CG -90.00 -30.00 -78.55 -90.41 -51.83 0.41 22 0 "[ . 1 . 2 .]"
28 . 1 83 ASP N 1 83 ASP CA 1 83 ASP CB 1 83 ASP CG -90.00 -30.00 -59.53 -63.67 -65.09 . . 0 "[ . 1 . 2 .]"
29 . 1 96 PHE N 1 96 PHE CA 1 96 PHE CB 1 96 PHE CG 30.00 90.00 60.29 51.12 67.46 . . 0 "[ . 1 . 2 .]"
30 . 1 100 PHE N 1 100 PHE CA 1 100 PHE CB 1 100 PHE CG -90.00 -30.00 -73.94 -89.84 -61.32 . . 0 "[ . 1 . 2 .]"
31 . 1 101 ASP N 1 101 ASP CA 1 101 ASP CB 1 101 ASP CG -90.00 -30.00 -85.15 -90.18 -90.42 0.49 6 0 "[ . 1 . 2 .]"
32 . 1 102 SER N 1 102 SER CA 1 102 SER CB 1 102 SER OG 30.00 90.00 87.45 83.62 89.93 . . 0 "[ . 1 . 2 .]"
stop_
save_
save_distance_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 148
_TA_constraint_stats_list.Viol_count 1639
_TA_constraint_stats_list.Viol_total 45516.91
_TA_constraint_stats_list.Viol_max 4.24
_TA_constraint_stats_list.Viol_rms 0.77
_TA_constraint_stats_list.Viol_average_all_restraints 0.49
_TA_constraint_stats_list.Viol_average_violations_only 1.11
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 5 GLY C 1 6 SER N 1 6 SER CA 1 6 SER C -117.00 -67.00 -93.68 -98.31 -104.04 0.06 17 0 "[ . 1 . 2 .]"
2 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 VAL N 103.00 157.00 129.58 133.04 128.35 0.42 5 0 "[ . 1 . 2 .]"
3 . 1 24 GLU C 1 25 ILE N 1 25 ILE CA 1 25 ILE C -140.53 -94.07 -96.52 -95.26 -95.84 0.62 8 0 "[ . 1 . 2 .]"
4 . 1 25 ILE N 1 25 ILE CA 1 25 ILE C 1 26 PRO N 78.53 129.03 106.79 101.55 100.42 . . 0 "[ . 1 . 2 .]"
5 . 1 33 PRO C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -84.63 -58.27 -56.20 -56.98 -55.53 2.74 10 0 "[ . 1 . 2 .]"
6 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 GLU N -35.95 -13.05 -17.92 -19.08 -19.33 . . 0 "[ . 1 . 2 .]"
7 . 1 37 ILE C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -103.94 -51.10 -94.31 -102.09 -87.97 . . 0 "[ . 1 . 2 .]"
8 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 GLY N 104.94 147.18 148.26 147.78 148.94 1.76 21 0 "[ . 1 . 2 .]"
9 . 1 41 ARG C 1 42 HIS N 1 42 HIS CA 1 42 HIS C -140.39 -105.91 -139.59 -141.17 -136.38 0.78 24 0 "[ . 1 . 2 .]"
10 . 1 42 HIS N 1 42 HIS CA 1 42 HIS C 1 43 LEU N 128.44 156.14 149.77 145.07 153.69 . . 0 "[ . 1 . 2 .]"
11 . 1 58 LYS C 1 59 LEU N 1 59 LEU CA 1 59 LEU C -77.14 -56.52 -56.84 -74.92 -54.58 1.94 14 0 "[ . 1 . 2 .]"
12 . 1 59 LEU N 1 59 LEU CA 1 59 LEU C 1 60 VAL N -53.75 -33.07 -41.95 -40.24 -40.96 . . 0 "[ . 1 . 2 .]"
13 . 1 59 LEU C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -74.28 -56.44 -56.44 -59.13 -55.43 1.01 7 0 "[ . 1 . 2 .]"
14 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 ALA N -42.34 -26.20 -32.86 -35.28 -28.31 . . 0 "[ . 1 . 2 .]"
15 . 1 64 ILE C 1 65 ASN N 1 65 ASN CA 1 65 ASN C -108.76 -69.62 -87.88 -87.18 -87.41 . . 0 "[ . 1 . 2 .]"
16 . 1 65 ASN N 1 65 ASN CA 1 65 ASN C 1 66 ALA N 108.45 134.97 106.84 107.52 107.36 2.39 3 0 "[ . 1 . 2 .]"
17 . 1 66 ALA C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -146.35 -123.09 -130.32 -138.67 -122.98 0.11 10 0 "[ . 1 . 2 .]"
18 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 ALA N 115.24 152.02 147.45 148.67 148.12 0.68 5 0 "[ . 1 . 2 .]"
19 . 1 77 VAL C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -136.69 -72.01 -136.19 -138.36 -126.27 1.67 13 0 "[ . 1 . 2 .]"
20 . 1 78 ILE N 1 78 ILE CA 1 78 ILE C 1 79 PRO N 92.76 139.48 98.42 109.54 104.11 2.82 5 0 "[ . 1 . 2 .]"
21 . 1 98 GLY C 1 99 ASP N 1 99 ASP CA 1 99 ASP C -124.27 -84.79 -94.03 -125.82 -83.60 1.55 12 0 "[ . 1 . 2 .]"
22 . 1 107 ASN C 1 108 THR N 1 108 THR CA 1 108 THR C -146.64 -99.98 -145.62 -147.76 -141.60 1.12 15 0 "[ . 1 . 2 .]"
23 . 1 108 THR N 1 108 THR CA 1 108 THR C 1 109 SER N 95.87 153.31 128.18 109.93 140.53 . . 0 "[ . 1 . 2 .]"
24 . 1 111 GLY C 1 112 LYS N 1 112 LYS CA 1 112 LYS C -140.83 -77.03 -99.20 -141.12 -76.66 0.37 7 0 "[ . 1 . 2 .]"
25 . 1 112 LYS N 1 112 LYS CA 1 112 LYS C 1 113 PRO N 101.38 155.06 156.37 154.43 157.56 2.50 21 0 "[ . 1 . 2 .]"
26 . 1 114 GLN C 1 115 ASP N 1 115 ASP CA 1 115 ASP C -112.41 -73.93 -90.19 -108.01 -73.28 0.65 20 0 "[ . 1 . 2 .]"
27 . 1 115 ASP N 1 115 ASP CA 1 115 ASP C 1 116 ALA N 91.63 160.19 161.25 161.59 161.57 2.70 17 0 "[ . 1 . 2 .]"
28 . 1 6 SER C 1 7 VAL N 1 7 VAL CA 1 7 VAL C -112.40 -89.80 -113.16 -113.06 -113.12 1.03 13 0 "[ . 1 . 2 .]"
29 . 1 7 VAL N 1 7 VAL CA 1 7 VAL C 1 8 THR N 105.88 138.24 104.38 104.41 104.34 1.95 11 0 "[ . 1 . 2 .]"
30 . 1 7 VAL C 1 8 THR N 1 8 THR CA 1 8 THR C -102.77 -63.65 -74.05 -75.24 -78.34 0.80 17 0 "[ . 1 . 2 .]"
31 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 VAL N 119.89 145.07 142.21 144.66 143.73 1.08 18 0 "[ . 1 . 2 .]"
32 . 1 8 THR C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -124.45 -67.55 -69.64 -70.40 -72.71 1.09 18 0 "[ . 1 . 2 .]"
33 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 PRO N 103.16 151.94 147.95 146.25 149.93 . . 0 "[ . 1 . 2 .]"
34 . 1 13 ASN C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -127.57 -90.75 -110.99 -106.82 -107.77 1.45 15 0 "[ . 1 . 2 .]"
35 . 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 GLU N 119.92 135.06 134.02 124.89 137.95 2.89 20 0 "[ . 1 . 2 .]"
36 . 1 14 ILE C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -129.60 -84.80 -84.34 -86.58 -81.93 2.87 20 0 "[ . 1 . 2 .]"
37 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 GLU N 109.00 127.72 128.23 125.10 129.47 1.75 17 0 "[ . 1 . 2 .]"
38 . 1 15 GLU C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -113.64 -90.86 -89.36 -90.48 -87.90 2.96 24 0 "[ . 1 . 2 .]"
39 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 VAL N 116.76 146.46 132.99 139.25 136.64 . . 0 "[ . 1 . 2 .]"
40 . 1 16 GLU C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -149.17 -102.09 -126.61 -137.71 -115.72 . . 0 "[ . 1 . 2 .]"
41 . 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 ALA N 114.48 157.64 156.39 149.94 158.15 0.51 1 0 "[ . 1 . 2 .]"
42 . 1 29 GLY C 1 30 LYS N 1 30 LYS CA 1 30 LYS C -128.95 -101.17 -130.42 -131.05 -129.64 2.10 2 0 "[ . 1 . 2 .]"
43 . 1 30 LYS N 1 30 LYS CA 1 30 LYS C 1 31 ALA N 98.23 155.13 156.57 155.87 157.29 2.16 23 0 "[ . 1 . 2 .]"
44 . 1 30 LYS C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -128.07 -90.09 -112.02 -113.58 -114.71 . . 0 "[ . 1 . 2 .]"
45 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 ILE N 108.27 168.27 107.29 107.25 107.16 1.82 9 0 "[ . 1 . 2 .]"
46 . 1 34 LEU C 1 35 GLU N 1 35 GLU CA 1 35 GLU C -81.17 -60.67 -60.36 -59.52 -59.62 1.68 3 0 "[ . 1 . 2 .]"
47 . 1 35 GLU N 1 35 GLU CA 1 35 GLU C 1 36 VAL N -45.31 -16.73 -16.17 -16.55 -15.90 0.83 23 0 "[ . 1 . 2 .]"
48 . 1 35 GLU C 1 36 VAL N 1 36 VAL CA 1 36 VAL C -111.84 -73.28 -92.55 -91.81 -91.95 . . 0 "[ . 1 . 2 .]"
49 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 ILE N -24.85 12.35 -25.10 -26.45 -23.49 1.60 17 0 "[ . 1 . 2 .]"
50 . 1 40 GLY C 1 41 ARG N 1 41 ARG CA 1 41 ARG C -123.67 -97.83 -106.94 -117.60 -97.16 0.67 12 0 "[ . 1 . 2 .]"
51 . 1 41 ARG N 1 41 ARG CA 1 41 ARG C 1 42 HIS N 120.11 136.27 131.74 132.31 131.90 . . 0 "[ . 1 . 2 .]"
52 . 1 42 HIS C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -132.14 -96.52 -110.86 -113.49 -114.38 . . 0 "[ . 1 . 2 .]"
53 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 ILE N 114.28 134.22 117.05 113.60 127.58 0.68 15 0 "[ . 1 . 2 .]"
54 . 1 43 LEU C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -123.98 -89.82 -99.41 -100.95 -103.83 . . 0 "[ . 1 . 2 .]"
55 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 PHE N 118.69 134.25 127.45 125.38 129.49 . . 0 "[ . 1 . 2 .]"
56 . 1 44 ILE C 1 45 PHE N 1 45 PHE CA 1 45 PHE C -115.01 -95.41 -95.42 -98.62 -94.25 1.16 20 0 "[ . 1 . 2 .]"
57 . 1 45 PHE N 1 45 PHE CA 1 45 PHE C 1 46 CYS N 124.27 161.25 123.29 121.38 124.71 2.89 5 0 "[ . 1 . 2 .]"
58 . 1 45 PHE C 1 46 CYS N 1 46 CYS CA 1 46 CYS C -116.64 -86.54 -117.31 -119.09 -115.54 2.45 5 0 "[ . 1 . 2 .]"
59 . 1 46 CYS N 1 46 CYS CA 1 46 CYS C 1 47 HIS N 133.66 159.60 158.81 159.62 159.39 0.62 18 0 "[ . 1 . 2 .]"
60 . 1 47 HIS C 1 48 SER N 1 48 SER CA 1 48 SER C -137.24 -87.50 -133.26 -134.95 -136.12 0.96 12 0 "[ . 1 . 2 .]"
61 . 1 48 SER N 1 48 SER CA 1 48 SER C 1 49 LYS N 135.99 -178.19 138.18 135.37 145.79 0.62 5 0 "[ . 1 . 2 .]"
62 . 1 48 SER C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -71.30 -60.48 -71.68 -71.61 -71.66 1.13 5 0 "[ . 1 . 2 .]"
63 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 LYS N -43.15 -25.67 -38.67 -39.68 -40.01 0.15 9 0 "[ . 1 . 2 .]"
64 . 1 49 LYS C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -79.88 -58.94 -61.74 -58.64 -58.79 0.40 2 0 "[ . 1 . 2 .]"
65 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 LYS N -46.37 -22.11 -35.80 -45.39 -30.02 . . 0 "[ . 1 . 2 .]"
66 . 1 50 LYS C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -73.23 -55.37 -71.13 -74.04 -61.17 0.81 3 0 "[ . 1 . 2 .]"
67 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 CYS N -53.99 -29.61 -36.21 -34.35 -34.88 . . 0 "[ . 1 . 2 .]"
68 . 1 51 LYS C 1 52 CYS N 1 52 CYS CA 1 52 CYS C -72.11 -61.51 -61.07 -60.70 -60.88 1.24 21 0 "[ . 1 . 2 .]"
69 . 1 52 CYS N 1 52 CYS CA 1 52 CYS C 1 53 ASP N -47.28 -34.38 -35.11 -39.19 -33.74 0.64 12 0 "[ . 1 . 2 .]"
70 . 1 52 CYS C 1 53 ASP N 1 53 ASP CA 1 53 ASP C -69.58 -55.82 -66.81 -69.73 -60.97 0.15 20 0 "[ . 1 . 2 .]"
71 . 1 53 ASP N 1 53 ASP CA 1 53 ASP C 1 54 GLU N -48.61 -34.17 -49.49 -49.69 -49.92 1.95 1 0 "[ . 1 . 2 .]"
72 . 1 53 ASP C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -70.77 -56.29 -72.02 -72.37 -72.63 2.22 19 0 "[ . 1 . 2 .]"
73 . 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 LEU N -47.75 -35.19 -44.43 -46.38 -47.00 . . 0 "[ . 1 . 2 .]"
74 . 1 54 GLU C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -72.15 -57.27 -57.06 -61.27 -55.72 1.55 16 0 "[ . 1 . 2 .]"
75 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 ALA N -44.76 -30.50 -41.12 -45.02 -36.51 0.26 3 0 "[ . 1 . 2 .]"
76 . 1 55 LEU C 1 56 ALA N 1 56 ALA CA 1 56 ALA C -75.54 -59.28 -73.68 -74.37 -75.03 0.70 1 0 "[ . 1 . 2 .]"
77 . 1 56 ALA N 1 56 ALA CA 1 56 ALA C 1 57 ALA N -50.80 -34.04 -51.26 -51.84 -50.86 1.04 2 0 "[ . 1 . 2 .]"
78 . 1 56 ALA C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -69.79 -56.71 -60.62 -61.11 -61.27 . . 0 "[ . 1 . 2 .]"
79 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 LYS N -47.65 -32.43 -39.59 -38.76 -39.40 0.74 20 0 "[ . 1 . 2 .]"
80 . 1 57 ALA C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -74.17 -57.51 -57.94 -62.88 -56.83 0.68 4 0 "[ . 1 . 2 .]"
81 . 1 58 LYS N 1 58 LYS CA 1 58 LYS C 1 59 LEU N -45.48 -29.34 -45.35 -47.94 -33.67 2.46 25 0 "[ . 1 . 2 .]"
82 . 1 60 VAL C 1 61 ALA N 1 61 ALA CA 1 61 ALA C -74.96 -63.98 -75.55 -75.60 -75.69 1.19 4 0 "[ . 1 . 2 .]"
83 . 1 61 ALA N 1 61 ALA CA 1 61 ALA C 1 62 LEU N -35.87 -12.25 -32.20 -31.32 -31.49 . . 0 "[ . 1 . 2 .]"
84 . 1 61 ALA C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -104.89 -74.23 -71.66 -71.33 -71.45 3.00 2 0 "[ . 1 . 2 .]"
85 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 GLY N -25.15 34.85 -26.07 -26.16 -26.23 1.38 21 0 "[ . 1 . 2 .]"
86 . 1 63 GLY C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -107.52 -85.46 -107.69 -108.05 -108.14 1.25 12 0 "[ . 1 . 2 .]"
87 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 ASN N 91.28 140.62 143.42 143.35 143.31 3.34 5 0 "[ . 1 . 2 .]"
88 . 1 65 ASN C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -123.96 -96.62 -119.02 -122.07 -115.92 . . 0 "[ . 1 . 2 .]"
89 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 VAL N 133.00 158.00 145.06 145.96 145.27 . . 0 "[ . 1 . 2 .]"
90 . 1 67 VAL C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -142.71 -101.97 -112.30 -121.24 -101.31 0.66 3 0 "[ . 1 . 2 .]"
91 . 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 TYR N 118.02 146.74 124.12 126.54 123.85 0.87 13 0 "[ . 1 . 2 .]"
92 . 1 70 TYR C 1 71 ARG N 1 71 ARG CA 1 71 ARG C -98.70 -52.10 -53.90 -63.86 -51.02 1.08 1 0 "[ . 1 . 2 .]"
93 . 1 71 ARG N 1 71 ARG CA 1 71 ARG C 1 72 GLY N 114.48 144.18 123.83 124.88 123.72 . . 0 "[ . 1 . 2 .]"
94 . 1 72 GLY C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -116.35 -74.97 -117.34 -117.77 -116.61 1.42 12 0 "[ . 1 . 2 .]"
95 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 ASP N 104.48 157.28 155.48 156.07 155.90 0.04 17 0 "[ . 1 . 2 .]"
96 . 1 73 LEU C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -108.73 -64.33 -94.14 -98.49 -85.85 . . 0 "[ . 1 . 2 .]"
97 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 VAL N 87.25 147.25 149.16 148.12 149.81 2.56 24 0 "[ . 1 . 2 .]"
98 . 1 74 ASP C 1 75 VAL N 1 75 VAL CA 1 75 VAL C -99.91 -64.27 -62.33 -62.22 -62.41 3.59 7 0 "[ . 1 . 2 .]"
99 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 SER N 113.98 150.12 110.95 110.62 110.40 3.88 21 0 "[ . 1 . 2 .]"
100 . 1 83 ASP C 1 84 VAL N 1 84 VAL CA 1 84 VAL C -115.91 -90.19 -116.73 -117.84 -111.02 1.93 17 0 "[ . 1 . 2 .]"
101 . 1 84 VAL N 1 84 VAL CA 1 84 VAL C 1 85 VAL N 108.90 134.68 134.23 134.49 134.26 1.17 6 0 "[ . 1 . 2 .]"
102 . 1 84 VAL C 1 85 VAL N 1 85 VAL CA 1 85 VAL C -111.05 -93.35 -112.89 -113.04 -113.20 2.96 24 0 "[ . 1 . 2 .]"
103 . 1 85 VAL N 1 85 VAL CA 1 85 VAL C 1 86 VAL N 107.07 132.39 123.50 119.95 126.86 . . 0 "[ . 1 . 2 .]"
104 . 1 85 VAL C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -136.22 -99.08 -97.19 -97.01 -97.10 2.63 15 0 "[ . 1 . 2 .]"
105 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 VAL N 114.26 130.80 118.65 119.55 119.20 . . 0 "[ . 1 . 2 .]"
106 . 1 86 VAL C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -117.77 -87.91 -111.09 -111.46 -111.78 . . 0 "[ . 1 . 2 .]"
107 . 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 ALA N 102.43 133.73 100.01 98.42 101.02 4.01 6 0 "[ . 1 . 2 .]"
108 . 1 87 VAL C 1 88 ALA N 1 88 ALA CA 1 88 ALA C -152.30 -107.92 -138.71 -142.02 -142.24 . . 0 "[ . 1 . 2 .]"
109 . 1 88 ALA N 1 88 ALA CA 1 88 ALA C 1 89 THR N 131.06 162.04 161.58 162.81 162.71 2.21 14 0 "[ . 1 . 2 .]"
110 . 1 91 ALA C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -81.37 -63.05 -68.07 -65.84 -67.04 1.06 10 0 "[ . 1 . 2 .]"
111 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 MET N -47.36 -11.76 -32.81 -47.87 -16.13 0.51 20 0 "[ . 1 . 2 .]"
112 . 1 99 ASP C 1 100 PHE N 1 100 PHE CA 1 100 PHE C -118.88 -58.88 -119.36 -119.84 -119.91 1.64 12 0 "[ . 1 . 2 .]"
113 . 1 100 PHE N 1 100 PHE CA 1 100 PHE C 1 101 ASP N 92.99 152.99 148.88 146.56 145.69 0.21 4 0 "[ . 1 . 2 .]"
114 . 1 101 ASP C 1 102 SER N 1 102 SER CA 1 102 SER C -158.63 -98.63 -161.60 -162.87 -160.35 4.24 22 0 "[ . 1 . 2 .]"
115 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 VAL N 119.51 162.47 163.52 163.02 164.00 1.53 7 0 "[ . 1 . 2 .]"
116 . 1 102 SER C 1 103 VAL N 1 103 VAL CA 1 103 VAL C -143.40 -112.16 -129.82 -127.19 -127.86 . . 0 "[ . 1 . 2 .]"
117 . 1 103 VAL N 1 103 VAL CA 1 103 VAL C 1 104 ILE N 112.95 139.05 117.61 112.97 128.15 . . 0 "[ . 1 . 2 .]"
118 . 1 103 VAL C 1 104 ILE N 1 104 ILE CA 1 104 ILE C -107.34 -93.86 -95.54 -93.23 -93.36 1.27 15 0 "[ . 1 . 2 .]"
119 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 ASP N 112.87 129.53 114.04 114.63 112.84 2.06 14 0 "[ . 1 . 2 .]"
120 . 1 104 ILE C 1 105 ASP N 1 105 ASP CA 1 105 ASP C -129.45 -91.49 -121.52 -129.82 -114.35 0.37 3 0 "[ . 1 . 2 .]"
121 . 1 105 ASP N 1 105 ASP CA 1 105 ASP C 1 106 CYS N 109.69 160.39 160.94 158.86 162.00 1.61 8 0 "[ . 1 . 2 .]"
122 . 1 108 THR C 1 109 SER N 1 109 SER CA 1 109 SER C -113.84 -84.14 -107.70 -103.38 -107.58 0.94 24 0 "[ . 1 . 2 .]"
123 . 1 109 SER N 1 109 SER CA 1 109 SER C 1 110 ASP N 100.32 141.24 131.37 139.21 134.92 0.33 12 0 "[ . 1 . 2 .]"
124 . 1 116 ALA C 1 117 VAL N 1 117 VAL CA 1 117 VAL C -71.09 -58.13 -67.87 -67.36 -68.52 1.68 17 0 "[ . 1 . 2 .]"
125 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C 1 118 SER N -53.21 -30.79 -29.59 -31.93 -28.31 2.48 22 0 "[ . 1 . 2 .]"
126 . 1 117 VAL C 1 118 SER N 1 118 SER CA 1 118 SER C -77.92 -47.92 -48.19 -53.87 -47.10 0.82 9 0 "[ . 1 . 2 .]"
127 . 1 118 SER N 1 118 SER CA 1 118 SER C 1 119 ARG N -54.77 -24.77 -56.28 -57.64 -54.75 2.87 2 0 "[ . 1 . 2 .]"
128 . 1 118 SER C 1 119 ARG N 1 119 ARG CA 1 119 ARG C -71.59 -59.11 -67.32 -65.56 -66.47 . . 0 "[ . 1 . 2 .]"
129 . 1 119 ARG N 1 119 ARG CA 1 119 ARG C 1 120 THR N -47.27 -36.15 -34.70 -34.11 -34.37 3.27 16 0 "[ . 1 . 2 .]"
130 . 1 119 ARG C 1 120 THR N 1 120 THR CA 1 120 THR C -70.72 -60.08 -59.93 -62.08 -58.46 1.62 21 0 "[ . 1 . 2 .]"
131 . 1 120 THR N 1 120 THR CA 1 120 THR C 1 121 GLN N -49.24 -32.34 -49.63 -49.26 -49.49 1.44 20 0 "[ . 1 . 2 .]"
132 . 1 120 THR C 1 121 GLN N 1 121 GLN CA 1 121 GLN C -72.73 -57.95 -73.62 -73.88 -73.94 1.58 4 0 "[ . 1 . 2 .]"
133 . 1 121 GLN N 1 121 GLN CA 1 121 GLN C 1 122 ARG N -45.54 -34.00 -38.78 -46.90 -35.50 1.36 20 0 "[ . 1 . 2 .]"
134 . 1 121 GLN C 1 122 ARG N 1 122 ARG CA 1 122 ARG C -71.16 -56.54 -69.32 -70.54 -71.16 1.01 24 0 "[ . 1 . 2 .]"
135 . 1 122 ARG N 1 122 ARG CA 1 122 ARG C 1 123 ARG N -43.08 -35.36 -44.76 -44.66 -44.76 2.99 25 0 "[ . 1 . 2 .]"
136 . 1 122 ARG C 1 123 ARG N 1 123 ARG CA 1 123 ARG C -72.45 -53.47 -58.59 -57.40 -58.18 0.27 6 0 "[ . 1 . 2 .]"
137 . 1 123 ARG N 1 123 ARG CA 1 123 ARG C 1 124 GLY N -59.67 -37.13 -41.07 -40.97 -41.61 3.04 15 0 "[ . 1 . 2 .]"
138 . 1 125 ARG C 1 126 THR N 1 126 THR CA 1 126 THR C -120.43 -91.95 -99.90 -121.43 -91.58 1.00 15 0 "[ . 1 . 2 .]"
139 . 1 126 THR N 1 126 THR CA 1 126 THR C 1 127 GLY N 113.90 141.38 142.36 132.60 144.67 3.29 11 0 "[ . 1 . 2 .]"
140 . 1 132 GLY C 1 133 ILE N 1 133 ILE CA 1 133 ILE C -133.63 -106.55 -123.07 -135.21 -106.35 1.58 3 0 "[ . 1 . 2 .]"
141 . 1 133 ILE N 1 133 ILE CA 1 133 ILE C 1 134 TYR N 108.65 141.79 142.14 142.06 141.85 2.17 15 0 "[ . 1 . 2 .]"
142 . 1 133 ILE C 1 134 TYR N 1 134 TYR CA 1 134 TYR C -131.89 -102.77 -129.19 -128.78 -129.22 0.28 10 0 "[ . 1 . 2 .]"
143 . 1 134 TYR N 1 134 TYR CA 1 134 TYR C 1 135 ARG N 115.72 142.66 115.98 114.52 121.95 1.20 3 0 "[ . 1 . 2 .]"
144 . 1 134 TYR C 1 135 ARG N 1 135 ARG CA 1 135 ARG C -145.51 -82.87 -103.24 -108.15 -98.67 . . 0 "[ . 1 . 2 .]"
145 . 1 135 ARG N 1 135 ARG CA 1 135 ARG C 1 136 PHE N 123.22 153.38 128.52 121.90 147.72 1.32 7 0 "[ . 1 . 2 .]"
146 . 1 135 ARG C 1 136 PHE N 1 136 PHE CA 1 136 PHE C -137.81 -99.83 -124.11 -138.15 -114.56 0.34 13 0 "[ . 1 . 2 .]"
147 . 1 136 PHE N 1 136 PHE CA 1 136 PHE C 1 137 VAL N 121.25 157.69 154.75 146.97 158.49 0.80 24 0 "[ . 1 . 2 .]"
148 . 1 136 PHE C 1 137 VAL N 1 137 VAL CA 1 137 VAL C -110.70 -69.70 -83.80 -79.86 -82.92 0.52 20 0 "[ . 1 . 2 .]"
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