NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406634 |
1xpw   |
6344 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1xpw
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 210
_TA_constraint_stats_list.Viol_count 310
_TA_constraint_stats_list.Viol_total 878.22
_TA_constraint_stats_list.Viol_max 1.07
_TA_constraint_stats_list.Viol_rms 0.05
_TA_constraint_stats_list.Viol_average_all_restraints 0.01
_TA_constraint_stats_list.Viol_average_violations_only 0.14
_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 13 LYS C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -155.39 -95.39 -121.45 -101.99 -103.25 0.23 8 0 "[ . 1 . 2]"
2 . 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 ASP N 105.69 -174.31 141.70 121.09 158.93 . . 0 "[ . 1 . 2]"
3 . 1 14 ILE C 1 15 ASP N 1 15 ASP CA 1 15 ASP C -117.25 -57.25 -71.87 -70.43 -70.78 . . 0 "[ . 1 . 2]"
4 . 1 15 ASP N 1 15 ASP CA 1 15 ASP C 1 16 LEU N 86.24 166.24 95.94 93.90 91.43 0.07 9 0 "[ . 1 . 2]"
5 . 1 15 ASP C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -98.98 -38.98 -81.90 -98.83 -71.94 . . 0 "[ . 1 . 2]"
6 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 CYS N -69.01 10.99 -0.21 -8.96 -11.66 0.37 13 0 "[ . 1 . 2]"
7 . 1 16 LEU C 1 17 CYS N 1 17 CYS CA 1 17 CYS C -94.18 -34.18 -93.25 -94.61 -86.38 0.43 20 0 "[ . 1 . 2]"
8 . 1 17 CYS N 1 17 CYS CA 1 17 CYS C 1 18 LEU N -83.66 -3.66 -7.29 -3.80 -3.98 0.55 20 0 "[ . 1 . 2]"
9 . 1 18 LEU C 1 19 SER N 1 19 SER CA 1 19 SER C -96.77 -36.77 -66.39 -69.69 -73.66 . . 0 "[ . 1 . 2]"
10 . 1 19 SER N 1 19 SER CA 1 19 SER C 1 20 SER N -75.64 4.36 -20.54 -19.42 -20.05 . . 0 "[ . 1 . 2]"
11 . 1 19 SER C 1 20 SER N 1 20 SER CA 1 20 SER C -98.78 -38.78 -73.83 -91.49 -63.47 . . 0 "[ . 1 . 2]"
12 . 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 GLU N -70.85 9.15 -18.98 -23.90 -24.54 . . 0 "[ . 1 . 2]"
13 . 1 20 SER C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -115.47 -55.47 -90.71 -92.18 -93.57 . . 0 "[ . 1 . 2]"
14 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 GLY N -38.25 41.75 -5.86 -33.40 10.84 . . 0 "[ . 1 . 2]"
15 . 1 21 GLU C 1 22 GLY N 1 22 GLY CA 1 22 GLY C 63.55 123.55 95.80 93.79 89.22 0.10 17 0 "[ . 1 . 2]"
16 . 1 22 GLY N 1 22 GLY CA 1 22 GLY C 1 23 SER N -33.47 46.53 12.08 3.18 30.82 . . 0 "[ . 1 . 2]"
17 . 1 22 GLY C 1 23 SER N 1 23 SER CA 1 23 SER C -126.42 -66.42 -88.27 -98.68 -110.77 . . 0 "[ . 1 . 2]"
18 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 GLU N 107.65 -172.35 134.96 118.95 117.38 . . 0 "[ . 1 . 2]"
19 . 1 23 SER C 1 24 GLU N 1 24 GLU CA 1 24 GLU C -163.44 -103.44 -124.36 -146.19 -103.38 0.06 18 0 "[ . 1 . 2]"
20 . 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 VAL N 109.69 -170.31 150.53 120.33 179.41 . . 0 "[ . 1 . 2]"
21 . 1 24 GLU C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -134.16 -74.16 -97.19 -97.46 -100.20 . . 0 "[ . 1 . 2]"
22 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 ILE N 88.41 168.41 133.01 102.07 155.69 . . 0 "[ . 1 . 2]"
23 . 1 25 VAL C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -145.19 -85.19 -129.84 -141.56 -144.23 . . 0 "[ . 1 . 2]"
24 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 LEU N 103.69 -176.31 145.63 114.70 168.51 . . 0 "[ . 1 . 2]"
25 . 1 28 ALA C 1 29 THR N 1 29 THR CA 1 29 THR C -98.12 -38.12 -61.35 -54.48 -56.34 . . 0 "[ . 1 . 2]"
26 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 SER N -61.35 18.65 -39.58 -61.23 18.66 0.01 7 0 "[ . 1 . 2]"
27 . 1 31 SER C 1 32 ASP N 1 32 ASP CA 1 32 ASP C -152.19 -92.19 -106.85 -145.44 -92.15 0.04 7 0 "[ . 1 . 2]"
28 . 1 32 ASP N 1 32 ASP CA 1 32 ASP C 1 33 GLU N 90.41 170.41 150.69 153.22 151.52 . . 0 "[ . 1 . 2]"
29 . 1 32 ASP C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -98.69 -38.69 -79.69 -81.79 -86.39 0.03 15 0 "[ . 1 . 2]"
30 . 1 33 GLU N 1 33 GLU CA 1 33 GLU C 1 34 LYS N -69.86 10.14 -26.22 -41.53 -5.81 . . 0 "[ . 1 . 2]"
31 . 1 33 GLU C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -107.56 -47.56 -93.72 -94.52 -97.83 0.12 18 0 "[ . 1 . 2]"
32 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 HIS N -63.18 16.82 -20.60 -36.20 3.81 . . 0 "[ . 1 . 2]"
33 . 1 36 PRO N 1 36 PRO CA 1 36 PRO C 1 37 PRO N 105.46 -174.54 146.85 145.63 140.33 . . 0 "[ . 1 . 2]"
34 . 1 37 PRO N 1 37 PRO CA 1 37 PRO C 1 38 GLU N -74.48 5.52 -11.87 -14.70 -16.48 0.14 9 0 "[ . 1 . 2]"
35 . 1 37 PRO C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -95.80 -35.80 -64.57 -87.85 -52.93 . . 0 "[ . 1 . 2]"
36 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ASN N -82.76 -2.76 -22.37 -17.97 -20.89 . . 0 "[ . 1 . 2]"
37 . 1 38 GLU C 1 39 ASN N 1 39 ASN CA 1 39 ASN C -97.24 -37.24 -79.97 -97.12 -55.93 . . 0 "[ . 1 . 2]"
38 . 1 39 ASN N 1 39 ASN CA 1 39 ASN C 1 40 ILE N -77.94 2.06 -10.94 -3.49 -12.08 . . 0 "[ . 1 . 2]"
39 . 1 39 ASN C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -102.82 -42.82 -69.30 -79.62 -56.75 . . 0 "[ . 1 . 2]"
40 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 ILE N -71.93 8.07 -33.43 -31.82 -34.37 . . 0 "[ . 1 . 2]"
41 . 1 42 ASP C 1 43 GLY N 1 43 GLY CA 1 43 GLY C 48.25 108.25 93.04 108.08 99.19 0.47 7 0 "[ . 1 . 2]"
42 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 ASN N -27.00 53.00 18.04 -25.83 53.34 0.34 16 0 "[ . 1 . 2]"
43 . 1 43 GLY C 1 44 ASN N 1 44 ASN CA 1 44 ASN C -143.84 -83.84 -97.77 -143.46 -83.59 0.25 3 0 "[ . 1 . 2]"
44 . 1 44 ASN N 1 44 ASN CA 1 44 ASN C 1 45 PRO N 112.83 -167.17 125.34 112.56 147.56 0.27 7 0 "[ . 1 . 2]"
45 . 1 45 PRO N 1 45 PRO CA 1 45 PRO C 1 46 GLU N -60.50 19.50 -0.18 -20.22 -29.42 0.21 7 0 "[ . 1 . 2]"
46 . 1 45 PRO C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -100.91 -40.91 -73.85 -96.90 -48.71 . . 0 "[ . 1 . 2]"
47 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 THR N -70.08 9.92 -42.67 -70.18 -2.44 0.10 20 0 "[ . 1 . 2]"
48 . 1 46 GLU C 1 47 THR N 1 47 THR CA 1 47 THR C -151.52 -91.52 -119.67 -102.50 -109.93 0.17 12 0 "[ . 1 . 2]"
49 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 PHE N 115.64 -164.36 148.76 153.31 149.66 0.30 9 0 "[ . 1 . 2]"
50 . 1 47 THR C 1 48 PHE N 1 48 PHE CA 1 48 PHE C -154.06 -94.06 -135.82 -153.90 -154.00 0.14 4 0 "[ . 1 . 2]"
51 . 1 48 PHE N 1 48 PHE CA 1 48 PHE C 1 49 TRP N 107.81 -172.19 160.66 126.83 -178.32 . . 0 "[ . 1 . 2]"
52 . 1 48 PHE C 1 49 TRP N 1 49 TRP CA 1 49 TRP C -145.34 -85.34 -98.31 -125.38 -85.29 0.05 13 0 "[ . 1 . 2]"
53 . 1 49 TRP N 1 49 TRP CA 1 49 TRP C 1 50 THR N 95.27 175.27 130.08 136.24 132.35 . . 0 "[ . 1 . 2]"
54 . 1 49 TRP C 1 50 THR N 1 50 THR CA 1 50 THR C -152.50 -92.50 -126.52 -147.08 -103.42 . . 0 "[ . 1 . 2]"
55 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 THR N 101.59 -178.41 151.87 138.80 170.33 . . 0 "[ . 1 . 2]"
56 . 1 50 THR C 1 51 THR N 1 51 THR CA 1 51 THR C -136.59 -76.59 -86.24 -116.82 -76.36 0.23 18 0 "[ . 1 . 2]"
57 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 THR N 116.42 -163.58 143.43 151.61 149.46 0.07 6 0 "[ . 1 . 2]"
58 . 1 51 THR C 1 52 THR N 1 52 THR CA 1 52 THR C -134.29 -74.29 -82.70 -91.40 -75.62 . . 0 "[ . 1 . 2]"
59 . 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 GLY N -34.27 45.73 9.31 16.63 11.02 0.07 6 0 "[ . 1 . 2]"
60 . 1 52 THR C 1 53 GLY N 1 53 GLY CA 1 53 GLY C 55.07 115.07 97.55 76.51 115.16 0.09 15 0 "[ . 1 . 2]"
61 . 1 53 GLY N 1 53 GLY CA 1 53 GLY C 1 54 MET N -32.69 47.31 14.57 -16.51 47.19 . . 0 "[ . 1 . 2]"
62 . 1 54 MET C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -106.80 -46.80 -101.66 -106.85 -106.92 0.39 8 0 "[ . 1 . 2]"
63 . 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 PRO N 88.42 168.42 142.63 138.82 136.43 . . 0 "[ . 1 . 2]"
64 . 1 56 PRO N 1 56 PRO CA 1 56 PRO C 1 57 GLN N 106.37 -173.63 159.50 171.50 166.93 . . 0 "[ . 1 . 2]"
65 . 1 56 PRO C 1 57 GLN N 1 57 GLN CA 1 57 GLN C -167.10 -107.10 -113.61 -110.44 -117.76 0.19 7 0 "[ . 1 . 2]"
66 . 1 57 GLN N 1 57 GLN CA 1 57 GLN C 1 58 GLU N 111.66 -168.34 130.66 111.30 175.40 0.36 20 0 "[ . 1 . 2]"
67 . 1 57 GLN C 1 58 GLU N 1 58 GLU CA 1 58 GLU C -165.82 -105.82 -131.79 -118.71 -121.52 . . 0 "[ . 1 . 2]"
68 . 1 58 GLU N 1 58 GLU CA 1 58 GLU C 1 59 PHE N 111.34 -168.66 140.30 119.67 166.47 . . 0 "[ . 1 . 2]"
69 . 1 58 GLU C 1 59 PHE N 1 59 PHE CA 1 59 PHE C 179.71 -120.29 -147.08 -152.10 -155.09 . . 0 "[ . 1 . 2]"
70 . 1 59 PHE N 1 59 PHE CA 1 59 PHE C 1 60 ILE N 120.67 -159.33 142.63 127.92 155.44 . . 0 "[ . 1 . 2]"
71 . 1 59 PHE C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -154.03 -94.03 -111.59 -111.52 -113.19 . . 0 "[ . 1 . 2]"
72 . 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 ILE N 107.42 -172.58 131.58 112.45 143.67 . . 0 "[ . 1 . 2]"
73 . 1 60 ILE C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -152.03 -92.03 -109.09 -121.13 -92.35 . . 0 "[ . 1 . 2]"
74 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 CYS N 84.62 164.62 119.72 120.95 120.32 . . 0 "[ . 1 . 2]"
75 . 1 61 ILE C 1 62 CYS N 1 62 CYS CA 1 62 CYS C -138.52 -78.52 -100.87 -110.77 -86.93 . . 0 "[ . 1 . 2]"
76 . 1 62 CYS N 1 62 CYS CA 1 62 CYS C 1 63 PHE N 97.72 177.72 123.35 116.49 114.17 . . 0 "[ . 1 . 2]"
77 . 1 62 CYS C 1 63 PHE N 1 63 PHE CA 1 63 PHE C -95.65 -35.65 -75.24 -72.76 -72.91 . . 0 "[ . 1 . 2]"
78 . 1 63 PHE N 1 63 PHE CA 1 63 PHE C 1 64 HIS N -79.93 0.07 -21.64 -29.41 -13.00 . . 0 "[ . 1 . 2]"
79 . 1 63 PHE C 1 64 HIS N 1 64 HIS CA 1 64 HIS C 35.37 95.37 68.04 66.22 65.99 . . 0 "[ . 1 . 2]"
80 . 1 64 HIS N 1 64 HIS CA 1 64 HIS C 1 65 LYS N -17.13 62.87 4.38 -17.73 21.96 0.60 16 0 "[ . 1 . 2]"
81 . 1 64 HIS C 1 65 LYS N 1 65 LYS CA 1 65 LYS C -169.13 -109.13 -153.64 -136.91 -147.68 0.01 13 0 "[ . 1 . 2]"
82 . 1 65 LYS N 1 65 LYS CA 1 65 LYS C 1 66 HIS N 110.14 -169.86 170.21 173.35 169.19 . . 0 "[ . 1 . 2]"
83 . 1 65 LYS C 1 66 HIS N 1 66 HIS CA 1 66 HIS C -142.70 -82.70 -91.35 -105.07 -82.65 0.05 5 0 "[ . 1 . 2]"
84 . 1 66 HIS N 1 66 HIS CA 1 66 HIS C 1 67 VAL N 105.68 -174.32 109.89 105.60 124.13 0.08 8 0 "[ . 1 . 2]"
85 . 1 66 HIS C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -152.24 -92.24 -121.53 -132.73 -112.55 . . 0 "[ . 1 . 2]"
86 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 ARG N 106.66 -173.34 155.85 140.86 169.90 . . 0 "[ . 1 . 2]"
87 . 1 67 VAL C 1 68 ARG N 1 68 ARG CA 1 68 ARG C -133.87 -73.87 -108.71 -130.39 -84.30 . . 0 "[ . 1 . 2]"
88 . 1 68 ARG N 1 68 ARG CA 1 68 ARG C 1 69 ILE N 85.78 165.78 117.09 111.80 108.39 . . 0 "[ . 1 . 2]"
89 . 1 68 ARG C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -149.77 -89.77 -92.64 -90.12 -90.64 0.18 18 0 "[ . 1 . 2]"
90 . 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 GLU N 89.30 169.30 130.90 129.29 127.47 . . 0 "[ . 1 . 2]"
91 . 1 70 GLU C 1 71 ARG N 1 71 ARG CA 1 71 ARG C -170.26 -110.26 -152.73 -170.08 -137.89 . . 0 "[ . 1 . 2]"
92 . 1 71 ARG N 1 71 ARG CA 1 71 ARG C 1 72 LEU N 104.50 -175.50 150.44 155.77 154.92 . . 0 "[ . 1 . 2]"
93 . 1 71 ARG C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -170.15 -110.15 -118.19 -133.28 -109.89 0.26 4 0 "[ . 1 . 2]"
94 . 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 VAL N 98.31 178.31 123.14 117.53 116.42 . . 0 "[ . 1 . 2]"
95 . 1 72 LEU C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -151.16 -91.16 -99.40 -123.02 -90.72 0.44 7 0 "[ . 1 . 2]"
96 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 ILE N 85.83 165.83 103.40 95.48 112.73 . . 0 "[ . 1 . 2]"
97 . 1 73 VAL C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -154.38 -94.38 -109.05 -107.68 -110.73 0.11 18 0 "[ . 1 . 2]"
98 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 GLN N 95.28 175.28 115.98 124.58 121.74 . . 0 "[ . 1 . 2]"
99 . 1 74 ILE C 1 75 GLN N 1 75 GLN CA 1 75 GLN C -156.03 -96.03 -109.61 -126.77 -95.79 0.24 18 0 "[ . 1 . 2]"
100 . 1 75 GLN N 1 75 GLN CA 1 75 GLN C 1 76 SER N 102.26 -177.74 103.14 102.45 102.36 0.27 11 0 "[ . 1 . 2]"
101 . 1 75 GLN C 1 76 SER N 1 76 SER CA 1 76 SER C -170.95 -110.95 -144.69 -160.27 -122.05 . . 0 "[ . 1 . 2]"
102 . 1 76 SER N 1 76 SER CA 1 76 SER C 1 77 TYR N 113.26 -166.74 164.25 -179.87 177.36 . . 0 "[ . 1 . 2]"
103 . 1 76 SER C 1 77 TYR N 1 77 TYR CA 1 77 TYR C -141.20 -81.20 -125.34 -141.26 -95.30 0.06 5 0 "[ . 1 . 2]"
104 . 1 77 TYR N 1 77 TYR CA 1 77 TYR C 1 78 PHE N 117.50 -162.50 144.78 157.02 153.96 0.30 18 0 "[ . 1 . 2]"
105 . 1 80 GLN C 1 81 THR N 1 81 THR CA 1 81 THR C -145.31 -85.31 -105.38 -130.27 -85.20 0.11 15 0 "[ . 1 . 2]"
106 . 1 81 THR N 1 81 THR CA 1 81 THR C 1 82 LEU N 91.31 171.31 105.25 94.26 115.73 . . 0 "[ . 1 . 2]"
107 . 1 81 THR C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -151.82 -91.82 -111.45 -122.46 -101.71 . . 0 "[ . 1 . 2]"
108 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 LYS N 89.15 169.15 109.33 107.74 104.63 . . 0 "[ . 1 . 2]"
109 . 1 82 LEU C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -149.91 -89.91 -95.08 -103.63 -89.69 0.22 8 0 "[ . 1 . 2]"
110 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 ILE N 93.78 173.78 116.86 106.94 100.47 . . 0 "[ . 1 . 2]"
111 . 1 83 LYS C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -153.12 -93.12 -99.90 -122.18 -92.52 0.60 10 0 "[ . 1 . 2]"
112 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 GLU N 93.06 173.06 108.69 94.58 119.77 . . 0 "[ . 1 . 2]"
113 . 1 84 ILE C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -155.81 -95.81 -101.15 -111.62 -117.00 0.25 17 0 "[ . 1 . 2]"
114 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 LYS N 106.79 -173.21 139.41 129.11 151.85 . . 0 "[ . 1 . 2]"
115 . 1 85 GLU C 1 86 LYS N 1 86 LYS CA 1 86 LYS C -166.61 -106.61 -113.22 -118.87 -122.50 0.02 4 0 "[ . 1 . 2]"
116 . 1 86 LYS N 1 86 LYS CA 1 86 LYS C 1 87 SER N 107.95 -172.05 141.58 117.22 155.48 . . 0 "[ . 1 . 2]"
117 . 1 86 LYS C 1 87 SER N 1 87 SER CA 1 87 SER C -143.01 -83.01 -135.43 -136.88 -138.94 0.16 13 0 "[ . 1 . 2]"
118 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 THR N 96.85 176.85 136.31 118.46 145.16 . . 0 "[ . 1 . 2]"
119 . 1 90 LYS C 1 91 GLU N 1 91 GLU CA 1 91 GLU C -119.20 -59.20 -105.96 -117.44 -119.15 0.08 20 0 "[ . 1 . 2]"
120 . 1 91 GLU N 1 91 GLU CA 1 91 GLU C 1 92 PRO N 102.73 -177.27 156.55 139.86 171.40 . . 0 "[ . 1 . 2]"
121 . 1 92 PRO C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -154.32 -94.32 -133.28 -140.73 -143.45 . . 0 "[ . 1 . 2]"
122 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 ASP N 125.20 -154.80 173.35 -173.98 -177.99 . . 0 "[ . 1 . 2]"
123 . 1 95 PHE C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -141.51 -81.51 -112.84 -106.35 -115.54 0.03 9 0 "[ . 1 . 2]"
124 . 1 96 GLU N 1 96 GLU CA 1 96 GLU C 1 97 GLN N 109.74 -170.26 134.95 111.60 157.90 . . 0 "[ . 1 . 2]"
125 . 1 96 GLU C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -106.41 -46.41 -67.95 -84.74 -50.72 . . 0 "[ . 1 . 2]"
126 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 TRP N 91.06 171.06 115.40 131.69 125.27 . . 0 "[ . 1 . 2]"
127 . 1 98 TRP C 1 99 ILE N 1 99 ILE CA 1 99 ILE C -151.16 -91.16 -140.96 -142.68 -144.47 . . 0 "[ . 1 . 2]"
128 . 1 99 ILE N 1 99 ILE CA 1 99 ILE C 1 100 GLU N 95.87 175.87 120.10 125.05 115.03 0.03 1 0 "[ . 1 . 2]"
129 . 1 99 ILE C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -138.89 -78.89 -103.35 -139.02 -78.96 0.13 15 0 "[ . 1 . 2]"
130 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 LYS N 94.46 174.46 113.26 133.80 123.44 . . 0 "[ . 1 . 2]"
131 . 1 100 GLU C 1 101 LYS N 1 101 LYS CA 1 101 LYS C -160.28 -100.28 -116.71 -155.44 -99.77 0.51 12 0 "[ . 1 . 2]"
132 . 1 101 LYS N 1 101 LYS CA 1 101 LYS C 1 102 ASP N 107.19 -172.81 138.14 107.48 175.03 . . 0 "[ . 1 . 2]"
133 . 1 101 LYS C 1 102 ASP N 1 102 ASP CA 1 102 ASP C -142.11 -82.11 -104.75 -140.22 -87.60 . . 0 "[ . 1 . 2]"
134 . 1 102 ASP N 1 102 ASP CA 1 102 ASP C 1 103 LEU N 87.71 167.71 127.11 95.99 149.02 . . 0 "[ . 1 . 2]"
135 . 1 102 ASP C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -126.10 -66.10 -103.33 -111.26 -112.14 0.13 5 0 "[ . 1 . 2]"
136 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 VAL N 94.26 174.26 148.55 152.79 148.24 0.18 18 0 "[ . 1 . 2]"
137 . 1 103 LEU C 1 104 VAL N 1 104 VAL CA 1 104 VAL C -141.31 -81.31 -100.62 -136.72 -81.26 0.05 7 0 "[ . 1 . 2]"
138 . 1 104 VAL N 1 104 VAL CA 1 104 VAL C 1 105 HIS N 98.45 178.45 137.38 146.95 143.99 0.07 10 0 "[ . 1 . 2]"
139 . 1 104 VAL C 1 105 HIS N 1 105 HIS CA 1 105 HIS C -111.74 -51.74 -72.06 -111.87 -57.05 0.13 18 0 "[ . 1 . 2]"
140 . 1 105 HIS N 1 105 HIS CA 1 105 HIS C 1 106 THR N 91.73 171.73 110.22 90.78 139.93 0.95 18 0 "[ . 1 . 2]"
141 . 1 105 HIS C 1 106 THR N 1 106 THR CA 1 106 THR C -131.48 -71.48 -103.30 -91.60 -96.51 0.39 18 0 "[ . 1 . 2]"
142 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 GLU N 84.63 164.63 122.27 121.97 119.33 . . 0 "[ . 1 . 2]"
143 . 1 106 THR C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -104.08 -44.08 -93.86 -98.91 -100.82 1.07 18 0 "[ . 1 . 2]"
144 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 GLY N 101.04 -178.96 116.32 111.98 103.69 0.57 18 0 "[ . 1 . 2]"
145 . 1 107 GLU C 1 108 GLY N 1 108 GLY CA 1 108 GLY C 55.14 115.14 74.69 80.56 74.48 0.03 18 0 "[ . 1 . 2]"
146 . 1 108 GLY N 1 108 GLY CA 1 108 GLY C 1 109 GLN N -41.10 38.90 5.73 -40.42 38.97 0.07 14 0 "[ . 1 . 2]"
147 . 1 108 GLY C 1 109 GLN N 1 109 GLN CA 1 109 GLN C -151.82 -91.82 -121.70 -100.38 -109.22 0.20 8 0 "[ . 1 . 2]"
148 . 1 109 GLN N 1 109 GLN CA 1 109 GLN C 1 110 LEU N 111.00 -169.00 126.97 118.50 117.81 0.16 13 0 "[ . 1 . 2]"
149 . 1 109 GLN C 1 110 LEU N 1 110 LEU CA 1 110 LEU C -100.85 -40.85 -84.90 -100.99 -69.48 0.14 19 0 "[ . 1 . 2]"
150 . 1 110 LEU N 1 110 LEU CA 1 110 LEU C 1 111 GLN N 97.50 177.50 111.43 112.80 109.22 0.33 6 0 "[ . 1 . 2]"
151 . 1 110 LEU C 1 111 GLN N 1 111 GLN CA 1 111 GLN C -129.58 -69.58 -91.14 -73.14 -83.14 0.03 13 0 "[ . 1 . 2]"
152 . 1 111 GLN N 1 111 GLN CA 1 111 GLN C 1 112 ASN N 83.50 163.50 108.95 83.53 155.86 . . 0 "[ . 1 . 2]"
153 . 1 111 GLN C 1 112 ASN N 1 112 ASN CA 1 112 ASN C -128.43 -68.43 -91.17 -119.99 -68.42 0.01 10 0 "[ . 1 . 2]"
154 . 1 112 ASN N 1 112 ASN CA 1 112 ASN C 1 113 GLU N 95.28 175.28 110.29 95.01 142.01 0.27 8 0 "[ . 1 . 2]"
155 . 1 112 ASN C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -152.37 -92.37 -95.47 -110.46 -91.91 0.46 15 0 "[ . 1 . 2]"
156 . 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 GLU N 93.38 173.38 114.73 120.17 116.06 0.05 6 0 "[ . 1 . 2]"
157 . 1 113 GLU C 1 114 GLU N 1 114 GLU CA 1 114 GLU C -133.96 -73.96 -91.59 -109.76 -76.59 . . 0 "[ . 1 . 2]"
158 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C 1 115 ILE N 82.93 162.93 99.09 84.84 108.93 . . 0 "[ . 1 . 2]"
159 . 1 114 GLU C 1 115 ILE N 1 115 ILE CA 1 115 ILE C -139.81 -79.81 -91.08 -87.57 -90.47 0.15 5 0 "[ . 1 . 2]"
160 . 1 115 ILE N 1 115 ILE CA 1 115 ILE C 1 116 VAL N 87.10 167.10 109.89 95.07 135.85 . . 0 "[ . 1 . 2]"
161 . 1 115 ILE C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -114.95 -54.95 -79.13 -73.03 -74.39 . . 0 "[ . 1 . 2]"
162 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 ALA N 87.15 167.15 97.22 95.31 92.72 0.25 3 0 "[ . 1 . 2]"
163 . 1 116 VAL C 1 117 ALA N 1 117 ALA CA 1 117 ALA C -156.97 -96.97 -137.03 -157.13 -110.49 0.16 20 0 "[ . 1 . 2]"
164 . 1 117 ALA N 1 117 ALA CA 1 117 ALA C 1 118 HIS N 103.29 -176.71 120.14 131.74 122.81 0.09 6 0 "[ . 1 . 2]"
165 . 1 117 ALA C 1 118 HIS N 1 118 HIS CA 1 118 HIS C -159.14 -99.14 -103.44 -99.44 -102.23 0.21 18 0 "[ . 1 . 2]"
166 . 1 118 HIS N 1 118 HIS CA 1 118 HIS C 1 119 GLY N 104.97 -175.03 114.68 120.58 116.98 0.29 3 0 "[ . 1 . 2]"
167 . 1 118 HIS C 1 119 GLY N 1 119 GLY CA 1 119 GLY C -167.09 -107.09 -165.97 -167.10 -167.11 0.15 9 0 "[ . 1 . 2]"
168 . 1 119 GLY N 1 119 GLY CA 1 119 GLY C 1 120 SER N 107.74 -172.26 165.12 131.80 -172.09 0.17 11 0 "[ . 1 . 2]"
169 . 1 119 GLY C 1 120 SER N 1 120 SER CA 1 120 SER C -145.49 -85.49 -113.49 -100.52 -100.88 . . 0 "[ . 1 . 2]"
170 . 1 120 SER N 1 120 SER CA 1 120 SER C 1 121 ALA N 96.98 176.98 131.98 108.44 143.62 . . 0 "[ . 1 . 2]"
171 . 1 120 SER C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -178.37 -118.37 -151.60 -160.43 -131.65 . . 0 "[ . 1 . 2]"
172 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 THR N 111.10 -168.90 154.96 121.31 165.33 . . 0 "[ . 1 . 2]"
173 . 1 122 THR C 1 123 TYR N 1 123 TYR CA 1 123 TYR C -166.66 -106.66 -127.98 -133.76 -137.01 . . 0 "[ . 1 . 2]"
174 . 1 123 TYR N 1 123 TYR CA 1 123 TYR C 1 124 LEU N 120.55 -159.45 131.95 124.63 146.90 . . 0 "[ . 1 . 2]"
175 . 1 123 TYR C 1 124 LEU N 1 124 LEU CA 1 124 LEU C -174.83 -114.83 -117.89 -122.03 -127.43 0.36 10 0 "[ . 1 . 2]"
176 . 1 124 LEU N 1 124 LEU CA 1 124 LEU C 1 125 ARG N 101.06 -178.94 123.49 108.99 130.96 . . 0 "[ . 1 . 2]"
177 . 1 124 LEU C 1 125 ARG N 1 125 ARG CA 1 125 ARG C -166.52 -106.52 -107.55 -110.76 -110.85 0.36 9 0 "[ . 1 . 2]"
178 . 1 125 ARG N 1 125 ARG CA 1 125 ARG C 1 126 PHE N 89.67 169.67 106.95 96.06 119.63 . . 0 "[ . 1 . 2]"
179 . 1 125 ARG C 1 126 PHE N 1 126 PHE CA 1 126 PHE C -141.49 -81.49 -89.77 -85.98 -88.51 . . 0 "[ . 1 . 2]"
180 . 1 126 PHE N 1 126 PHE CA 1 126 PHE C 1 127 ILE N 92.14 172.14 111.98 123.17 117.54 . . 0 "[ . 1 . 2]"
181 . 1 126 PHE C 1 127 ILE N 1 127 ILE CA 1 127 ILE C -136.45 -76.45 -109.38 -130.68 -97.38 . . 0 "[ . 1 . 2]"
182 . 1 127 ILE N 1 127 ILE CA 1 127 ILE C 1 128 ILE N 82.83 162.83 104.68 100.67 98.26 . . 0 "[ . 1 . 2]"
183 . 1 127 ILE C 1 128 ILE N 1 128 ILE CA 1 128 ILE C -123.13 -63.13 -87.15 -98.36 -81.74 . . 0 "[ . 1 . 2]"
184 . 1 128 ILE N 1 128 ILE CA 1 128 ILE C 1 129 VAL N 84.80 164.80 99.70 99.63 97.17 . . 0 "[ . 1 . 2]"
185 . 1 130 SER C 1 131 ALA N 1 131 ALA CA 1 131 ALA C -157.45 -97.45 -137.48 -148.24 -125.36 . . 0 "[ . 1 . 2]"
186 . 1 131 ALA N 1 131 ALA CA 1 131 ALA C 1 132 PHE N 117.39 -162.61 165.65 157.07 178.88 . . 0 "[ . 1 . 2]"
187 . 1 132 PHE C 1 133 ASP N 1 133 ASP CA 1 133 ASP C -135.54 -75.54 -125.77 -135.62 -105.87 0.08 10 0 "[ . 1 . 2]"
188 . 1 133 ASP N 1 133 ASP CA 1 133 ASP C 1 134 HIS N 107.64 -172.36 176.92 162.14 151.82 0.27 16 0 "[ . 1 . 2]"
189 . 1 134 HIS C 1 135 PHE N 1 135 PHE CA 1 135 PHE C -161.90 -101.90 -123.11 -122.91 -126.65 . . 0 "[ . 1 . 2]"
190 . 1 135 PHE N 1 135 PHE CA 1 135 PHE C 1 136 ALA N 122.45 -157.55 132.24 122.18 158.84 0.27 19 0 "[ . 1 . 2]"
191 . 1 135 PHE C 1 136 ALA N 1 136 ALA CA 1 136 ALA C -159.36 -99.36 -119.33 -114.68 -117.24 . . 0 "[ . 1 . 2]"
192 . 1 136 ALA N 1 136 ALA CA 1 136 ALA C 1 137 SER N 108.79 -171.21 136.46 108.77 171.15 0.02 8 0 "[ . 1 . 2]"
193 . 1 136 ALA C 1 137 SER N 1 137 SER CA 1 137 SER C -165.11 -105.11 -129.32 -112.30 -120.15 0.22 9 0 "[ . 1 . 2]"
194 . 1 137 SER N 1 137 SER CA 1 137 SER C 1 138 VAL N 104.76 -175.24 128.82 111.81 147.34 . . 0 "[ . 1 . 2]"
195 . 1 137 SER C 1 138 VAL N 1 138 VAL CA 1 138 VAL C -138.56 -78.56 -110.73 -138.64 -84.83 0.08 13 0 "[ . 1 . 2]"
196 . 1 138 VAL N 1 138 VAL CA 1 138 VAL C 1 139 HIS N 104.53 -175.47 134.65 132.11 131.89 . . 0 "[ . 1 . 2]"
197 . 1 139 HIS C 1 140 SER N 1 140 SER CA 1 140 SER C -171.02 -111.02 -155.75 -152.59 -156.16 0.28 12 0 "[ . 1 . 2]"
198 . 1 140 SER N 1 140 SER CA 1 140 SER C 1 141 VAL N 105.17 -174.83 133.76 142.10 138.56 0.05 12 0 "[ . 1 . 2]"
199 . 1 140 SER C 1 141 VAL N 1 141 VAL CA 1 141 VAL C -151.94 -91.94 -123.64 -128.61 -131.10 . . 0 "[ . 1 . 2]"
200 . 1 141 VAL N 1 141 VAL CA 1 141 VAL C 1 142 SER N 90.77 170.77 124.81 90.54 170.95 0.23 13 0 "[ . 1 . 2]"
201 . 1 141 VAL C 1 142 SER N 1 142 SER CA 1 142 SER C -150.71 -90.71 -127.41 -130.54 -136.44 0.07 18 0 "[ . 1 . 2]"
202 . 1 142 SER N 1 142 SER CA 1 142 SER C 1 143 ALA N 96.40 176.40 142.29 128.80 153.64 . . 0 "[ . 1 . 2]"
203 . 1 142 SER C 1 143 ALA N 1 143 ALA CA 1 143 ALA C -165.53 -105.53 -111.01 -128.13 -105.22 0.31 4 0 "[ . 1 . 2]"
204 . 1 143 ALA N 1 143 ALA CA 1 143 ALA C 1 144 GLU N 102.78 -177.22 114.99 102.53 139.03 0.25 5 0 "[ . 1 . 2]"
205 . 1 143 ALA C 1 144 GLU N 1 144 GLU CA 1 144 GLU C -154.37 -94.37 -96.76 -107.18 -93.93 0.44 20 0 "[ . 1 . 2]"
206 . 1 144 GLU N 1 144 GLU CA 1 144 GLU C 1 145 GLY N 102.85 -177.15 130.67 130.76 125.36 . . 0 "[ . 1 . 2]"
207 . 1 145 GLY C 1 146 THR N 1 146 THR CA 1 146 THR C -153.08 -93.08 -142.01 -140.68 -142.16 . . 0 "[ . 1 . 2]"
208 . 1 146 THR N 1 146 THR CA 1 146 THR C 1 147 VAL N 103.27 -176.73 149.99 126.35 171.15 . . 0 "[ . 1 . 2]"
209 . 1 146 THR C 1 147 VAL N 1 147 VAL CA 1 147 VAL C -119.80 -59.80 -83.14 -108.24 -67.00 . . 0 "[ . 1 . 2]"
210 . 1 147 VAL N 1 147 VAL CA 1 147 VAL C 1 148 VAL N 95.16 175.16 125.46 134.99 132.79 . . 0 "[ . 1 . 2]"
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