NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
649032 |
6lkf   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6lkf
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 195
_TA_constraint_stats_list.Viol_count 514
_TA_constraint_stats_list.Viol_total 10453.71
_TA_constraint_stats_list.Viol_max 4.57
_TA_constraint_stats_list.Viol_rms 0.47
_TA_constraint_stats_list.Viol_average_all_restraints 0.13
_TA_constraint_stats_list.Viol_average_violations_only 1.02
_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 22 GLN C 1 23 ARG N 1 23 ARG CA 1 23 ARG C -77.51 -54.13 -62.14 -62.72 -64.05 0.34 6 0 "[ . 1 . 2]"
2 . 1 23 ARG C 1 24 ARG N 1 24 ARG CA 1 24 ARG C -78.60 -54.34 -60.74 -60.09 -60.35 . . 0 "[ . 1 . 2]"
3 . 1 24 ARG C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -75.28 -53.40 -62.06 -60.39 -60.98 . . 0 "[ . 1 . 2]"
4 . 1 25 GLU C 1 26 TYR N 1 26 TYR CA 1 26 TYR C -103.69 -36.23 -64.31 -62.57 -64.40 . . 0 "[ . 1 . 2]"
5 . 1 26 TYR C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -73.08 -54.42 -61.48 -62.46 -60.13 . . 0 "[ . 1 . 2]"
6 . 1 27 ALA C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -81.12 -51.34 -64.51 -62.38 -62.97 . . 0 "[ . 1 . 2]"
7 . 1 28 GLN C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -79.04 -50.54 -62.58 -63.01 -63.12 . . 0 "[ . 1 . 2]"
8 . 1 29 GLU C 1 30 MET N 1 30 MET CA 1 30 MET C -77.07 -56.43 -61.54 -63.40 -60.15 . . 0 "[ . 1 . 2]"
9 . 1 30 MET C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -104.20 -34.92 -62.35 -70.05 -60.25 . . 0 "[ . 1 . 2]"
10 . 1 31 ASP C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -81.21 -51.45 -62.35 -68.14 -59.84 . . 0 "[ . 1 . 2]"
11 . 1 32 ARG C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -73.15 -54.35 -61.81 -60.98 -61.40 . . 0 "[ . 1 . 2]"
12 . 1 33 LEU C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -68.81 -51.17 -62.65 -68.71 -60.45 . . 0 "[ . 1 . 2]"
13 . 1 34 GLU C 1 35 LYS N 1 35 LYS CA 1 35 LYS C -76.05 -52.35 -61.40 -60.38 -60.62 . . 0 "[ . 1 . 2]"
14 . 1 35 LYS C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -75.16 -56.54 -61.52 -60.48 -60.69 . . 0 "[ . 1 . 2]"
15 . 1 36 ALA C 1 37 PHE N 1 37 PHE CA 1 37 PHE C -80.80 -52.88 -61.61 -67.62 -57.43 . . 0 "[ . 1 . 2]"
16 . 1 37 PHE C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -68.02 -56.02 -60.27 -60.10 -60.45 . . 0 "[ . 1 . 2]"
17 . 1 38 GLU C 1 39 ASN N 1 39 ASN CA 1 39 ASN C -112.84 -69.48 -96.08 -94.53 -95.18 . . 0 "[ . 1 . 2]"
18 . 1 40 LEU C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -66.54 -41.44 -66.23 -65.08 -66.87 1.49 12 0 "[ . 1 . 2]"
19 . 1 41 ASP C 1 42 GLY N 1 42 GLY CA 1 42 GLY C 54.59 110.23 83.70 75.41 92.75 . . 0 "[ . 1 . 2]"
20 . 1 43 TRP C 1 44 TYR N 1 44 TYR CA 1 44 TYR C -155.12 -102.32 -136.52 -140.52 -130.35 . . 0 "[ . 1 . 2]"
21 . 1 44 TYR C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -153.86 -80.02 -122.38 -138.52 -112.30 . . 0 "[ . 1 . 2]"
22 . 1 50 ASP C 1 51 SER N 1 51 SER CA 1 51 SER C 173.35 -102.15 -150.94 -150.02 -150.93 . . 0 "[ . 1 . 2]"
23 . 1 51 SER C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -157.00 -109.32 -115.25 -117.27 -121.49 1.65 18 0 "[ . 1 . 2]"
24 . 1 52 ALA C 1 53 TYR N 1 53 TYR CA 1 53 TYR C -173.91 -107.51 -143.00 -147.81 -148.44 0.27 6 0 "[ . 1 . 2]"
25 . 1 53 TYR C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -144.92 -55.84 -130.50 -145.48 -116.07 0.56 2 0 "[ . 1 . 2]"
26 . 1 54 LYS C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -114.20 -61.88 -105.91 -115.06 -90.98 0.86 2 0 "[ . 1 . 2]"
27 . 1 55 ASP C 1 56 PHE N 1 56 PHE CA 1 56 PHE C 174.52 -54.38 -96.35 -92.51 -96.66 . . 0 "[ . 1 . 2]"
28 . 1 56 PHE C 1 57 GLY N 1 57 GLY CA 1 57 GLY C 52.21 103.59 90.58 90.60 90.52 . . 0 "[ . 1 . 2]"
29 . 1 57 GLY C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -115.13 -54.11 -114.28 -115.86 -109.05 0.73 20 0 "[ . 1 . 2]"
30 . 1 58 LYS C 1 59 TYR N 1 59 TYR CA 1 59 TYR C 174.33 -83.41 -154.53 -157.97 -150.59 . . 0 "[ . 1 . 2]"
31 . 1 59 TYR C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -151.98 -84.52 -113.02 -109.93 -112.15 . . 0 "[ . 1 . 2]"
32 . 1 60 GLU C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -132.15 -84.45 -128.27 -127.95 -129.00 0.03 18 0 "[ . 1 . 2]"
33 . 1 61 ILE C 1 62 ARG N 1 62 ARG CA 1 62 ARG C -139.29 -99.95 -137.92 -122.35 -132.55 3.03 3 0 "[ . 1 . 2]"
34 . 1 62 ARG C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -156.39 -88.71 -112.88 -111.09 -111.96 . . 0 "[ . 1 . 2]"
35 . 1 63 LEU C 1 64 SER N 1 64 SER CA 1 64 SER C -170.25 -72.11 -144.05 -149.39 -127.08 . . 0 "[ . 1 . 2]"
36 . 1 64 SER C 1 65 ASN N 1 65 ASN CA 1 65 ASN C -151.81 -56.29 -60.89 -57.82 -61.05 1.46 18 0 "[ . 1 . 2]"
37 . 1 65 ASN C 1 66 HIS N 1 66 HIS CA 1 66 HIS C -73.58 -49.90 -60.21 -59.95 -60.72 . . 0 "[ . 1 . 2]"
38 . 1 67 SER C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -113.98 -38.32 -101.69 -115.13 -63.90 1.15 2 0 "[ . 1 . 2]"
39 . 1 68 ALA C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -110.54 -37.48 -63.57 -62.48 -65.95 . . 0 "[ . 1 . 2]"
40 . 1 69 ASP C 1 70 ASN N 1 70 ASN CA 1 70 ASN C -109.42 -44.06 -85.70 -62.65 -78.60 . . 0 "[ . 1 . 2]"
41 . 1 70 ASN C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -137.94 -49.04 -76.43 -138.90 -59.65 0.96 5 0 "[ . 1 . 2]"
42 . 1 77 ASN C 1 78 GLY N 1 78 GLY CA 1 78 GLY C 57.33 115.75 79.98 73.81 83.61 . . 0 "[ . 1 . 2]"
43 . 1 78 GLY C 1 79 ARG N 1 79 ARG CA 1 79 ARG C -133.32 -60.24 -123.84 -135.98 -75.62 2.66 16 0 "[ . 1 . 2]"
44 . 1 79 ARG C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -140.52 -56.60 -58.52 -77.13 -54.97 1.63 13 0 "[ . 1 . 2]"
45 . 1 80 LEU C 1 81 ILE N 1 81 ILE CA 1 81 ILE C -130.79 -95.65 -118.31 -119.47 -121.32 0.39 14 0 "[ . 1 . 2]"
46 . 1 81 ILE C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -141.27 -80.85 -118.26 -126.40 -109.96 . . 0 "[ . 1 . 2]"
47 . 1 82 VAL C 1 83 ASN N 1 83 ASN CA 1 83 ASN C -140.57 -69.93 -104.08 -113.88 -95.41 . . 0 "[ . 1 . 2]"
48 . 1 83 ASN C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -142.62 -88.90 -116.61 -124.66 -99.54 . . 0 "[ . 1 . 2]"
49 . 1 84 ILE C 1 85 LYS N 1 85 LYS CA 1 85 LYS C -138.42 -77.64 -96.29 -104.39 -112.23 0.89 13 0 "[ . 1 . 2]"
50 . 1 85 LYS C 1 86 ALA N 1 86 ALA CA 1 86 ALA C 173.52 -90.66 -158.19 -158.90 -159.28 . . 0 "[ . 1 . 2]"
51 . 1 86 ALA C 1 87 SER N 1 87 SER CA 1 87 SER C -144.79 -58.67 -75.82 -71.35 -71.62 . . 0 "[ . 1 . 2]"
52 . 1 87 SER C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -74.71 -45.53 -61.36 -60.90 -61.21 . . 0 "[ . 1 . 2]"
53 . 1 88 LYS C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -87.28 -51.16 -64.82 -75.41 -62.43 . . 0 "[ . 1 . 2]"
54 . 1 89 LEU C 1 90 ASN N 1 90 ASN CA 1 90 ASN C -149.86 -44.80 -104.54 -127.07 -99.33 . . 0 "[ . 1 . 2]"
55 . 1 90 ASN C 1 91 PHE N 1 91 PHE CA 1 91 PHE C -106.55 -34.95 -58.96 -58.26 -58.31 . . 0 "[ . 1 . 2]"
56 . 1 91 PHE C 1 92 VAL N 1 92 VAL CA 1 92 VAL C -72.25 -56.51 -65.08 -73.34 -61.34 1.09 14 0 "[ . 1 . 2]"
57 . 1 92 VAL C 1 93 ASP N 1 93 ASP CA 1 93 ASP C -67.16 -50.24 -62.16 -62.14 -62.29 . . 0 "[ . 1 . 2]"
58 . 1 93 ASP C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -74.99 -52.69 -62.98 -60.04 -61.01 . . 0 "[ . 1 . 2]"
59 . 1 94 ILE C 1 95 ILE N 1 95 ILE CA 1 95 ILE C -78.39 -48.97 -65.55 -62.81 -67.26 0.16 7 0 "[ . 1 . 2]"
60 . 1 95 ILE C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -98.01 -54.85 -64.38 -88.31 -60.16 . . 0 "[ . 1 . 2]"
61 . 1 96 GLU C 1 97 ASN N 1 97 ASN CA 1 97 ASN C -129.73 -44.25 -78.85 -75.18 -81.56 . . 0 "[ . 1 . 2]"
62 . 1 97 ASN C 1 98 LYS N 1 98 LYS CA 1 98 LYS C -147.23 -66.33 -66.35 -82.43 -64.03 2.30 12 0 "[ . 1 . 2]"
63 . 1 98 LYS C 1 99 LEU N 1 99 LEU CA 1 99 LEU C -76.64 -42.04 -61.47 -68.24 -56.70 . . 0 "[ . 1 . 2]"
64 . 1 99 LEU C 1 100 ASP N 1 100 ASP CA 1 100 ASP C -73.28 -52.50 -62.85 -64.38 -60.93 . . 0 "[ . 1 . 2]"
65 . 1 100 ASP C 1 101 LYS N 1 101 LYS CA 1 101 LYS C -80.52 -50.38 -63.55 -65.72 -61.80 . . 0 "[ . 1 . 2]"
66 . 1 101 LYS C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -77.00 -49.24 -74.56 -73.15 -73.24 0.39 15 0 "[ . 1 . 2]"
67 . 1 102 ILE C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -72.76 -51.94 -62.12 -63.05 -61.34 . . 0 "[ . 1 . 2]"
68 . 1 103 ILE C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -69.05 -51.73 -64.21 -62.06 -62.47 . . 0 "[ . 1 . 2]"
69 . 1 104 GLU C 1 105 LYS N 1 105 LYS CA 1 105 LYS C -82.06 -52.54 -62.84 -60.63 -61.77 . . 0 "[ . 1 . 2]"
70 . 1 105 LYS C 1 106 ILE N 1 106 ILE CA 1 106 ILE C -75.88 -50.58 -64.93 -63.50 -66.30 . . 0 "[ . 1 . 2]"
71 . 1 106 ILE C 1 107 ASP N 1 107 ASP CA 1 107 ASP C -84.88 -45.50 -62.55 -60.90 -61.50 . . 0 "[ . 1 . 2]"
72 . 1 107 ASP C 1 108 LYS N 1 108 LYS CA 1 108 LYS C -113.36 -76.08 -82.37 -113.17 -72.95 3.13 16 0 "[ . 1 . 2]"
73 . 1 108 LYS C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -156.25 -25.05 -155.62 -157.68 -148.52 1.43 9 0 "[ . 1 . 2]"
74 . 1 110 ASP C 1 111 LEU N 1 111 LEU CA 1 111 LEU C -79.22 -43.18 -68.06 -72.92 -76.44 0.81 20 0 "[ . 1 . 2]"
75 . 1 111 LEU C 1 112 ASP N 1 112 ASP CA 1 112 ASP C -88.97 -51.81 -61.56 -65.28 -69.14 1.21 5 0 "[ . 1 . 2]"
76 . 1 112 ASP C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -115.75 -66.43 -64.51 -64.04 -64.33 2.78 15 0 "[ . 1 . 2]"
77 . 1 114 TYR C 1 115 ARG N 1 115 ARG CA 1 115 ARG C -127.55 -63.97 -76.89 -113.87 -62.77 1.20 1 0 "[ . 1 . 2]"
78 . 1 115 ARG C 1 116 PHE N 1 116 PHE CA 1 116 PHE C 177.67 -107.11 -142.26 -150.87 -121.04 . . 0 "[ . 1 . 2]"
79 . 1 116 PHE C 1 117 ILE N 1 117 ILE CA 1 117 ILE C -136.71 -93.83 -129.39 -135.50 -125.85 . . 0 "[ . 1 . 2]"
80 . 1 117 ILE C 1 118 ASN N 1 118 ASN CA 1 118 ASN C -148.35 -93.17 -143.13 -138.38 -143.81 0.91 13 0 "[ . 1 . 2]"
81 . 1 118 ASN C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -123.19 -83.91 -88.50 -101.13 -109.94 1.90 9 0 "[ . 1 . 2]"
82 . 1 119 ALA C 1 120 THR N 1 120 THR CA 1 120 THR C -156.71 -59.01 -122.72 -129.49 -82.66 . . 0 "[ . 1 . 2]"
83 . 1 120 THR C 1 121 ASN N 1 121 ASN CA 1 121 ASN C -153.83 -39.31 -41.64 -42.21 -42.75 1.91 7 0 "[ . 1 . 2]"
84 . 1 121 ASN C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -79.37 -47.65 -57.27 -62.10 -46.17 1.48 9 0 "[ . 1 . 2]"
85 . 1 122 LEU C 1 123 GLU N 1 123 GLU CA 1 123 GLU C -122.25 -67.69 -66.39 -67.39 -65.12 2.57 14 0 "[ . 1 . 2]"
86 . 1 123 GLU C 1 124 HIS N 1 124 HIS CA 1 124 HIS C -148.61 -54.69 -88.99 -112.82 -76.97 . . 0 "[ . 1 . 2]"
87 . 1 127 LYS C 1 128 CYS N 1 128 CYS CA 1 128 CYS C -134.40 -68.66 -130.95 -123.82 -125.47 3.41 17 0 "[ . 1 . 2]"
88 . 1 128 CYS C 1 129 TYR N 1 129 TYR CA 1 129 TYR C -117.18 -48.64 -114.26 -117.28 -117.54 1.00 14 0 "[ . 1 . 2]"
89 . 1 129 TYR C 1 130 TYR N 1 130 TYR CA 1 130 TYR C -102.37 -28.39 -60.79 -64.05 -59.30 . . 0 "[ . 1 . 2]"
90 . 1 130 TYR C 1 131 LYS N 1 131 LYS CA 1 131 LYS C -117.10 -71.44 -115.41 -111.99 -113.84 2.36 13 0 "[ . 1 . 2]"
91 . 1 131 LYS C 1 132 GLY N 1 132 GLY CA 1 132 GLY C 43.91 118.17 93.50 91.79 91.63 . . 0 "[ . 1 . 2]"
92 . 1 132 GLY C 1 133 PHE N 1 133 PHE CA 1 133 PHE C -162.33 -85.45 -160.91 -162.40 -162.50 0.93 9 0 "[ . 1 . 2]"
93 . 1 133 PHE C 1 134 LYS N 1 134 LYS CA 1 134 LYS C 171.88 -79.96 173.35 174.15 174.02 1.31 9 0 "[ . 1 . 2]"
94 . 1 134 LYS C 1 135 THR N 1 135 THR CA 1 135 THR C -142.59 -69.01 -68.31 -67.31 -67.70 2.56 14 0 "[ . 1 . 2]"
95 . 1 135 THR C 1 136 LYS N 1 136 LYS CA 1 136 LYS C -118.79 -47.49 -89.66 -82.83 -88.57 . . 0 "[ . 1 . 2]"
96 . 1 136 LYS C 1 137 LYS N 1 137 LYS CA 1 137 LYS C -149.98 -77.70 -150.48 -151.40 -142.71 1.42 10 0 "[ . 1 . 2]"
97 . 1 137 LYS C 1 138 GLU N 1 138 GLU CA 1 138 GLU C -157.87 -104.27 -116.95 -126.61 -109.16 . . 0 "[ . 1 . 2]"
98 . 1 138 GLU C 1 139 VAL N 1 139 VAL CA 1 139 VAL C -146.55 -71.97 -134.44 -133.97 -135.83 . . 0 "[ . 1 . 2]"
99 . 1 23 ARG N 1 23 ARG CA 1 23 ARG C 1 24 ARG N -56.40 -12.24 -35.39 -45.91 -20.14 . . 0 "[ . 1 . 2]"
100 . 1 24 ARG N 1 24 ARG CA 1 24 ARG C 1 25 GLU N -51.67 -16.99 -40.96 -40.66 -42.25 . . 0 "[ . 1 . 2]"
101 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 TYR N -57.99 -24.69 -41.80 -42.31 -43.42 . . 0 "[ . 1 . 2]"
102 . 1 26 TYR N 1 26 TYR CA 1 26 TYR C 1 27 ALA N -61.95 -15.17 -41.74 -49.23 -28.42 . . 0 "[ . 1 . 2]"
103 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 GLN N -56.52 -19.52 -40.94 -40.99 -42.03 . . 0 "[ . 1 . 2]"
104 . 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 GLU N -53.79 -25.81 -38.32 -41.18 -41.20 0.38 17 0 "[ . 1 . 2]"
105 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 MET N -57.98 -25.80 -40.63 -44.02 -38.58 . . 0 "[ . 1 . 2]"
106 . 1 30 MET N 1 30 MET CA 1 30 MET C 1 31 ASP N -51.71 -26.01 -43.15 -41.44 -44.54 . . 0 "[ . 1 . 2]"
107 . 1 31 ASP N 1 31 ASP CA 1 31 ASP C 1 32 ARG N -61.07 -17.69 -41.35 -41.71 -41.87 . . 0 "[ . 1 . 2]"
108 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 LEU N -49.88 -24.96 -42.60 -42.14 -43.00 . . 0 "[ . 1 . 2]"
109 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 GLU N -48.41 -37.41 -42.99 -45.54 -39.16 . . 0 "[ . 1 . 2]"
110 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 LYS N -54.32 -28.14 -38.77 -40.96 -41.77 . . 0 "[ . 1 . 2]"
111 . 1 35 LYS N 1 35 LYS CA 1 35 LYS C 1 36 ALA N -58.29 -30.27 -42.65 -42.31 -43.55 . . 0 "[ . 1 . 2]"
112 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 PHE N -53.70 -31.12 -39.84 -41.12 -38.07 . . 0 "[ . 1 . 2]"
113 . 1 37 PHE N 1 37 PHE CA 1 37 PHE C 1 38 GLU N -50.52 -27.16 -42.30 -35.26 -35.97 . . 0 "[ . 1 . 2]"
114 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ASN N -47.80 -26.26 -39.83 -41.99 -37.92 . . 0 "[ . 1 . 2]"
115 . 1 39 ASN N 1 39 ASN CA 1 39 ASN C 1 40 LEU N -27.50 15.58 9.62 3.24 15.84 0.26 20 0 "[ . 1 . 2]"
116 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 GLY N 120.00 140.46 135.71 140.00 136.55 1.32 7 0 "[ . 1 . 2]"
117 . 1 42 GLY N 1 42 GLY CA 1 42 GLY C 1 43 TRP N -27.63 27.41 6.13 -8.95 21.76 . . 0 "[ . 1 . 2]"
118 . 1 44 TYR N 1 44 TYR CA 1 44 TYR C 1 45 LEU N 126.26 179.34 145.90 148.56 148.12 . . 0 "[ . 1 . 2]"
119 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 SER N 94.97 174.59 142.55 148.14 145.30 . . 0 "[ . 1 . 2]"
120 . 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 ALA N 122.99 -177.91 155.28 141.98 167.15 . . 0 "[ . 1 . 2]"
121 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 TYR N 120.09 178.07 142.42 130.52 152.12 . . 0 "[ . 1 . 2]"
122 . 1 53 TYR N 1 53 TYR CA 1 53 TYR C 1 54 LYS N 137.89 -170.31 157.03 136.92 163.93 0.97 12 0 "[ . 1 . 2]"
123 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 ASP N 97.38 156.14 134.26 145.72 137.02 0.78 6 0 "[ . 1 . 2]"
124 . 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 PHE N 98.38 155.40 114.85 99.63 140.85 . . 0 "[ . 1 . 2]"
125 . 1 57 GLY N 1 57 GLY CA 1 57 GLY C 1 58 LYS N -23.15 55.33 -10.47 -9.73 -9.80 . . 0 "[ . 1 . 2]"
126 . 1 58 LYS N 1 58 LYS CA 1 58 LYS C 1 59 TYR N -56.19 15.17 -32.45 -41.82 -28.08 . . 0 "[ . 1 . 2]"
127 . 1 59 TYR N 1 59 TYR CA 1 59 TYR C 1 60 GLU N 112.94 -171.14 161.09 158.45 162.64 . . 0 "[ . 1 . 2]"
128 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 ILE N 94.05 162.59 128.63 129.33 129.08 . . 0 "[ . 1 . 2]"
129 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 ARG N 109.21 134.97 137.78 138.75 138.45 4.00 20 0 "[ . 1 . 2]"
130 . 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 LEU N 112.61 158.89 157.08 152.30 159.16 0.27 12 0 "[ . 1 . 2]"
131 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 SER N 108.96 174.90 143.95 125.49 153.29 . . 0 "[ . 1 . 2]"
132 . 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 ASN N 89.82 177.20 162.03 147.86 177.38 0.18 13 0 "[ . 1 . 2]"
133 . 1 65 ASN N 1 65 ASN CA 1 65 ASN C 1 66 HIS N 75.44 -145.32 -165.56 -149.47 -158.82 0.77 2 0 "[ . 1 . 2]"
134 . 1 66 HIS N 1 66 HIS CA 1 66 HIS C 1 67 SER N -51.12 -4.74 -36.84 -47.19 -19.82 . . 0 "[ . 1 . 2]"
135 . 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 ASP N -67.94 22.78 5.00 -46.20 23.82 1.04 18 0 "[ . 1 . 2]"
136 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 ASN N -58.12 -10.12 -34.14 -45.45 -7.82 2.30 9 0 "[ . 1 . 2]"
137 . 1 70 ASN N 1 70 ASN CA 1 70 ASN C 1 71 LYS N -62.08 2.60 -10.29 -46.77 3.61 1.01 7 0 "[ . 1 . 2]"
138 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 TYR N -61.44 43.84 -19.08 -45.69 44.42 0.58 9 0 "[ . 1 . 2]"
139 . 1 78 GLY N 1 78 GLY CA 1 78 GLY C 1 79 ARG N -25.83 27.69 5.72 -1.80 21.06 . . 0 "[ . 1 . 2]"
140 . 1 79 ARG N 1 79 ARG CA 1 79 ARG C 1 80 LEU N 108.17 160.95 157.87 150.31 161.80 0.85 5 0 "[ . 1 . 2]"
141 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 ILE N 76.88 151.24 140.11 128.37 151.23 . . 0 "[ . 1 . 2]"
142 . 1 81 ILE N 1 81 ILE CA 1 81 ILE C 1 82 VAL N 98.33 145.45 129.02 123.59 141.92 . . 0 "[ . 1 . 2]"
143 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 ASN N 104.74 134.74 123.68 127.24 125.66 . . 0 "[ . 1 . 2]"
144 . 1 83 ASN N 1 83 ASN CA 1 83 ASN C 1 84 ILE N 107.94 157.68 122.42 153.08 136.58 0.59 5 0 "[ . 1 . 2]"
145 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 LYS N 114.22 134.96 125.62 127.87 127.69 . . 0 "[ . 1 . 2]"
146 . 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 ALA N 104.58 136.20 129.27 120.32 136.80 0.60 11 0 "[ . 1 . 2]"
147 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 SER N 134.10 -173.92 152.78 155.75 154.55 . . 0 "[ . 1 . 2]"
148 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 LYS N 119.98 -173.68 150.32 159.15 150.78 . . 0 "[ . 1 . 2]"
149 . 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 LEU N -41.56 -9.90 -37.76 -42.97 -28.14 1.41 2 0 "[ . 1 . 2]"
150 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 ASN N -44.73 -9.59 -38.79 -44.56 -20.16 . . 0 "[ . 1 . 2]"
151 . 1 90 ASN N 1 90 ASN CA 1 90 ASN C 1 91 PHE N -70.15 38.97 18.97 16.18 15.54 . . 0 "[ . 1 . 2]"
152 . 1 91 PHE N 1 91 PHE CA 1 91 PHE C 1 92 VAL N -79.34 23.82 -48.06 -49.47 -31.90 . . 0 "[ . 1 . 2]"
153 . 1 92 VAL N 1 92 VAL CA 1 92 VAL C 1 93 ASP N -51.97 -32.07 -41.81 -38.20 -42.83 . . 0 "[ . 1 . 2]"
154 . 1 93 ASP N 1 93 ASP CA 1 93 ASP C 1 94 ILE N -56.79 -29.91 -41.14 -44.40 -39.26 . . 0 "[ . 1 . 2]"
155 . 1 94 ILE N 1 94 ILE CA 1 94 ILE C 1 95 ILE N -61.62 -29.64 -31.78 -29.99 -33.37 1.24 8 0 "[ . 1 . 2]"
156 . 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1 96 GLU N -57.25 -25.71 -37.32 -47.17 -24.94 0.77 20 0 "[ . 1 . 2]"
157 . 1 96 GLU N 1 96 GLU CA 1 96 GLU C 1 97 ASN N -53.05 -3.55 -45.47 -53.94 -40.79 0.89 15 0 "[ . 1 . 2]"
158 . 1 97 ASN N 1 97 ASN CA 1 97 ASN C 1 98 LYS N -56.38 18.96 -42.97 -50.97 -34.76 . . 0 "[ . 1 . 2]"
159 . 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 LEU N -63.50 42.56 -42.12 -42.16 -42.90 . . 0 "[ . 1 . 2]"
160 . 1 99 LEU N 1 99 LEU CA 1 99 LEU C 1 100 ASP N -67.92 -20.60 -41.63 -44.13 -39.97 . . 0 "[ . 1 . 2]"
161 . 1 100 ASP N 1 100 ASP CA 1 100 ASP C 1 101 LYS N -53.79 -26.27 -39.45 -39.41 -39.47 . . 0 "[ . 1 . 2]"
162 . 1 101 LYS N 1 101 LYS CA 1 101 LYS C 1 102 ILE N -60.33 -24.19 -39.37 -44.16 -32.39 . . 0 "[ . 1 . 2]"
163 . 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 ILE N -64.21 -23.29 -39.69 -36.33 -37.49 . . 0 "[ . 1 . 2]"
164 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 GLU N -58.05 -30.59 -46.03 -45.28 -45.57 . . 0 "[ . 1 . 2]"
165 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 LYS N -52.54 -34.68 -43.09 -42.73 -43.08 . . 0 "[ . 1 . 2]"
166 . 1 105 LYS N 1 105 LYS CA 1 105 LYS C 1 106 ILE N -56.82 -25.72 -41.21 -45.21 -33.35 . . 0 "[ . 1 . 2]"
167 . 1 106 ILE N 1 106 ILE CA 1 106 ILE C 1 107 ASP N -54.39 -24.41 -37.64 -47.44 -27.10 . . 0 "[ . 1 . 2]"
168 . 1 107 ASP N 1 107 ASP CA 1 107 ASP C 1 108 LYS N -60.20 -5.18 -40.24 -45.07 -47.22 0.86 14 0 "[ . 1 . 2]"
169 . 1 108 LYS N 1 108 LYS CA 1 108 LYS C 1 109 LEU N -39.29 20.83 -33.97 -34.79 -36.61 0.21 9 0 "[ . 1 . 2]"
170 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 ASP N 116.44 -167.68 150.24 116.04 178.48 0.40 5 0 "[ . 1 . 2]"
171 . 1 111 LEU N 1 111 LEU CA 1 111 LEU C 1 112 ASP N -59.38 3.62 -23.00 -39.71 -7.21 . . 0 "[ . 1 . 2]"
172 . 1 112 ASP N 1 112 ASP CA 1 112 ASP C 1 113 LYS N -55.71 -15.09 -22.60 -40.88 -12.86 2.23 20 0 "[ . 1 . 2]"
173 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 TYR N -50.40 29.64 -37.94 -39.48 -22.29 . . 0 "[ . 1 . 2]"
174 . 1 115 ARG N 1 115 ARG CA 1 115 ARG C 1 116 PHE N -46.13 19.75 -37.94 -33.41 -37.69 . . 0 "[ . 1 . 2]"
175 . 1 116 PHE N 1 116 PHE CA 1 116 PHE C 1 117 ILE N 107.32 149.44 125.61 127.08 126.69 . . 0 "[ . 1 . 2]"
176 . 1 117 ILE N 1 117 ILE CA 1 117 ILE C 1 118 ASN N 113.22 150.34 142.93 131.28 151.26 0.92 20 0 "[ . 1 . 2]"
177 . 1 118 ASN N 1 118 ASN CA 1 118 ASN C 1 119 ALA N 112.15 140.57 115.28 110.74 139.17 1.41 2 0 "[ . 1 . 2]"
178 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 THR N 86.03 155.75 150.03 125.67 156.29 0.54 16 0 "[ . 1 . 2]"
179 . 1 120 THR N 1 120 THR CA 1 120 THR C 1 121 ASN N 90.22 160.22 161.10 156.33 162.91 2.69 13 0 "[ . 1 . 2]"
180 . 1 121 ASN N 1 121 ASN CA 1 121 ASN C 1 122 LEU N 88.36 -135.64 166.11 167.23 151.38 . . 0 "[ . 1 . 2]"
181 . 1 122 LEU N 1 122 LEU CA 1 122 LEU C 1 123 GLU N -46.91 0.21 -38.49 -40.95 -42.00 . . 0 "[ . 1 . 2]"
182 . 1 123 GLU N 1 123 GLU CA 1 123 GLU C 1 124 HIS N -31.69 39.95 -33.70 -35.06 -35.70 4.57 1 0 "[ . 1 . 2]"
183 . 1 124 HIS N 1 124 HIS CA 1 124 HIS C 1 125 ASP N 86.61 164.21 161.88 151.11 165.92 1.71 18 0 "[ . 1 . 2]"
184 . 1 128 CYS N 1 128 CYS CA 1 128 CYS C 1 129 TYR N 70.82 -158.20 144.12 125.98 171.87 . . 0 "[ . 1 . 2]"
185 . 1 129 TYR N 1 129 TYR CA 1 129 TYR C 1 130 TYR N 82.22 -170.76 134.29 127.42 141.97 . . 0 "[ . 1 . 2]"
186 . 1 130 TYR N 1 130 TYR CA 1 130 TYR C 1 131 LYS N -72.28 13.24 -47.42 -50.27 -40.13 . . 0 "[ . 1 . 2]"
187 . 1 131 LYS N 1 131 LYS CA 1 131 LYS C 1 132 GLY N -14.87 20.79 9.59 -3.64 19.14 . . 0 "[ . 1 . 2]"
188 . 1 132 GLY N 1 132 GLY CA 1 132 GLY C 1 133 PHE N -27.80 58.08 -15.20 -21.68 -12.06 . . 0 "[ . 1 . 2]"
189 . 1 133 PHE N 1 133 PHE CA 1 133 PHE C 1 134 LYS N 116.99 176.65 116.71 115.09 128.90 1.90 11 0 "[ . 1 . 2]"
190 . 1 134 LYS N 1 134 LYS CA 1 134 LYS C 1 135 THR N 106.90 164.74 163.49 164.86 164.47 1.76 16 0 "[ . 1 . 2]"
191 . 1 135 THR N 1 135 THR CA 1 135 THR C 1 136 LYS N -63.68 39.10 -21.78 -40.98 -7.49 . . 0 "[ . 1 . 2]"
192 . 1 136 LYS N 1 136 LYS CA 1 136 LYS C 1 137 LYS N 114.41 142.49 120.41 118.39 117.68 . . 0 "[ . 1 . 2]"
193 . 1 137 LYS N 1 137 LYS CA 1 137 LYS C 1 138 GLU N 127.93 158.21 158.51 154.75 159.18 0.97 8 0 "[ . 1 . 2]"
194 . 1 138 GLU N 1 138 GLU CA 1 138 GLU C 1 139 VAL N 105.99 173.23 134.37 124.55 146.02 . . 0 "[ . 1 . 2]"
195 . 1 139 VAL N 1 139 VAL CA 1 139 VAL C 1 140 ILE N 104.40 145.22 139.67 127.84 142.97 . . 0 "[ . 1 . 2]"
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