NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443915 |
2kfs   |
16188 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kfs
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 207
_TA_constraint_stats_list.Viol_count 1936
_TA_constraint_stats_list.Viol_total 49576.80
_TA_constraint_stats_list.Viol_max 5.96
_TA_constraint_stats_list.Viol_rms 0.60
_TA_constraint_stats_list.Viol_average_all_restraints 0.27
_TA_constraint_stats_list.Viol_average_violations_only 0.85
_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 5 GLY C 1 6 ARG N 1 6 ARG CA 1 6 ARG C -73.00 -61.00 -71.74 -70.25 -71.93 2.39 11 0 "[ . 1 . 2 . 3]"
2 . 1 17 SER C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -120.00 -68.00 -95.42 -121.60 -67.99 1.60 3 0 "[ . 1 . 2 . 3]"
3 . 1 18 ILE C 1 19 PRO N 1 19 PRO CA 1 19 PRO C -75.00 -55.00 -69.68 -69.35 -71.21 2.45 19 0 "[ . 1 . 2 . 3]"
4 . 1 19 PRO C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -130.00 -84.00 -97.10 -108.77 -116.85 2.93 3 0 "[ . 1 . 2 . 3]"
5 . 1 25 LEU C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -105.00 -61.00 -86.71 -106.64 -60.36 1.64 10 0 "[ . 1 . 2 . 3]"
6 . 1 26 ASP C 1 27 PRO N 1 27 PRO CA 1 27 PRO C -63.00 -51.00 -53.17 -51.28 -52.44 1.51 13 0 "[ . 1 . 2 . 3]"
7 . 1 28 ASP C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -88.00 -58.00 -72.59 -68.66 -72.34 0.50 10 0 "[ . 1 . 2 . 3]"
8 . 1 31 THR C 1 32 TYR N 1 32 TYR CA 1 32 TYR C -130.00 -110.00 -122.22 -133.15 -109.17 3.15 19 0 "[ . 1 . 2 . 3]"
9 . 1 32 TYR C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -162.00 -138.00 -134.68 -134.23 -134.49 5.90 11 1 "[ . 1+ . 2 . 3]"
10 . 1 34 LEU C 1 35 PRO N 1 35 PRO CA 1 35 PRO C -73.00 -51.00 -60.66 -66.82 -54.44 . . 0 "[ . 1 . 2 . 3]"
11 . 1 35 PRO C 1 36 ARG N 1 36 ARG CA 1 36 ARG C -70.00 -62.00 -69.67 -71.45 -65.29 1.45 27 0 "[ . 1 . 2 . 3]"
12 . 1 36 ARG C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -69.00 -61.00 -69.18 -69.44 -69.59 1.81 24 0 "[ . 1 . 2 . 3]"
13 . 1 37 VAL C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -65.00 -53.00 -59.67 -62.03 -55.50 . . 0 "[ . 1 . 2 . 3]"
14 . 1 38 ALA C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -68.10 -62.10 -65.72 -69.14 -61.68 1.04 29 0 "[ . 1 . 2 . 3]"
15 . 1 39 GLU C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -77.00 -57.00 -65.33 -77.24 -57.50 0.24 6 0 "[ . 1 . 2 . 3]"
16 . 1 40 LEU C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -106.00 -82.00 -85.99 -86.07 -86.76 0.94 30 0 "[ . 1 . 2 . 3]"
17 . 1 42 GLY C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -148.00 -94.00 -122.82 -133.28 -104.14 . . 0 "[ . 1 . 2 . 3]"
18 . 1 44 PRO C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -63.00 -41.00 -58.18 -58.11 -58.42 . . 0 "[ . 1 . 2 . 3]"
19 . 1 45 VAL C 1 46 SER N 1 46 SER CA 1 46 SER C -66.00 -58.00 -58.89 -59.58 -60.10 1.65 10 0 "[ . 1 . 2 . 3]"
20 . 1 46 SER C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -68.80 -62.40 -69.30 -69.54 -69.69 1.67 17 0 "[ . 1 . 2 . 3]"
21 . 1 47 LYS C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -68.30 -61.70 -62.51 -61.41 -61.47 0.94 3 0 "[ . 1 . 2 . 3]"
22 . 1 48 VAL C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -69.00 -59.00 -61.22 -62.63 -63.01 0.29 8 0 "[ . 1 . 2 . 3]"
23 . 1 49 ALA C 1 50 GLN N 1 50 GLN CA 1 50 GLN C -69.50 -62.10 -65.55 -70.72 -61.24 1.22 7 0 "[ . 1 . 2 . 3]"
24 . 1 50 GLN C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -68.60 -58.60 -61.10 -58.42 -58.66 1.07 25 0 "[ . 1 . 2 . 3]"
25 . 1 51 GLN C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -67.10 -62.90 -62.11 -63.92 -60.67 2.23 7 0 "[ . 1 . 2 . 3]"
26 . 1 52 LEU C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -70.60 -59.00 -67.91 -71.05 -71.15 1.06 26 0 "[ . 1 . 2 . 3]"
27 . 1 53 ARG C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -102.00 -76.80 -90.92 -85.41 -87.64 0.67 12 0 "[ . 1 . 2 . 3]"
28 . 1 54 GLU C 1 55 GLY N 1 55 GLY CA 1 55 GLY C 69.00 97.00 76.20 67.94 90.71 1.06 2 0 "[ . 1 . 2 . 3]"
29 . 1 56 HIS C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -163.00 -133.00 -156.62 -163.42 -145.95 0.42 15 0 "[ . 1 . 2 . 3]"
30 . 1 57 LEU C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -150.60 -129.60 -133.10 -144.83 -128.42 1.18 3 0 "[ . 1 . 2 . 3]"
31 . 1 58 VAL C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -147.20 -105.80 -131.57 -130.34 -132.72 . . 0 "[ . 1 . 2 . 3]"
32 . 1 59 ALA C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -140.80 -127.00 -129.63 -136.68 -125.24 1.76 6 0 "[ . 1 . 2 . 3]"
33 . 1 60 VAL C 1 61 ARG N 1 61 ARG CA 1 61 ARG C -147.00 -111.00 -114.76 -110.95 -112.57 3.70 14 0 "[ . 1 . 2 . 3]"
34 . 1 61 ARG C 1 62 ARG N 1 62 ARG CA 1 62 ARG C -154.60 -117.40 -130.77 -153.34 -115.40 2.00 14 0 "[ . 1 . 2 . 3]"
35 . 1 65 GLY C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -120.20 -98.20 -97.39 -96.89 -97.14 2.23 26 0 "[ . 1 . 2 . 3]"
36 . 1 66 VAL C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -141.40 -131.60 -134.06 -140.29 -130.61 0.99 7 0 "[ . 1 . 2 . 3]"
37 . 1 67 VAL C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -143.40 -105.20 -121.52 -132.48 -105.35 . . 0 "[ . 1 . 2 . 3]"
38 . 1 69 PRO C 1 70 GLN N 1 70 GLN CA 1 70 GLN C -69.00 -49.00 -59.07 -68.66 -48.72 0.28 26 0 "[ . 1 . 2 . 3]"
39 . 1 72 PHE C 1 73 PHE N 1 73 PHE CA 1 73 PHE C -145.00 -107.00 -116.43 -134.42 -106.53 0.47 12 0 "[ . 1 . 2 . 3]"
40 . 1 73 PHE C 1 74 THR N 1 74 THR CA 1 74 THR C -100.00 -76.00 -83.66 -94.78 -75.42 0.58 1 0 "[ . 1 . 2 . 3]"
41 . 1 74 THR C 1 75 ASN N 1 75 ASN CA 1 75 ASN C -69.50 -52.70 -64.21 -69.78 -56.31 0.28 26 0 "[ . 1 . 2 . 3]"
42 . 1 75 ASN C 1 76 SER N 1 76 SER CA 1 76 SER C -99.80 -80.20 -82.30 -84.05 -87.43 1.56 5 0 "[ . 1 . 2 . 3]"
43 . 1 77 GLY C 1 78 GLN N 1 78 GLN CA 1 78 GLN C -140.10 -87.10 -111.22 -127.12 -90.37 . . 0 "[ . 1 . 2 . 3]"
44 . 1 78 GLN C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -106.10 -63.10 -69.74 -86.68 -62.01 1.09 24 0 "[ . 1 . 2 . 3]"
45 . 1 80 VAL C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -68.60 -54.80 -60.07 -68.81 -54.32 0.48 7 0 "[ . 1 . 2 . 3]"
46 . 1 82 SER C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -65.40 -45.80 -64.05 -65.64 -65.83 1.06 11 0 "[ . 1 . 2 . 3]"
47 . 1 83 LEU C 1 84 PRO N 1 84 PRO CA 1 84 PRO C -62.50 -53.90 -58.66 -58.29 -58.96 0.62 19 0 "[ . 1 . 2 . 3]"
48 . 1 84 PRO C 1 85 GLY N 1 85 GLY CA 1 85 GLY C -72.20 -60.40 -64.60 -66.81 -67.48 . . 0 "[ . 1 . 2 . 3]"
49 . 1 85 GLY C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -67.70 -57.70 -68.06 -69.78 -65.66 2.08 27 0 "[ . 1 . 2 . 3]"
50 . 1 86 LEU C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -68.70 -57.10 -62.69 -64.77 -59.91 . . 0 "[ . 1 . 2 . 3]"
51 . 1 87 LEU C 1 88 THR N 1 88 THR CA 1 88 THR C -75.50 -57.90 -62.33 -71.36 -57.45 0.45 13 0 "[ . 1 . 2 . 3]"
52 . 1 88 THR C 1 89 ILE N 1 89 ILE CA 1 89 ILE C -67.80 -58.20 -67.16 -68.35 -68.63 0.93 1 0 "[ . 1 . 2 . 3]"
53 . 1 89 ILE C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -66.40 -57.00 -67.09 -66.70 -66.72 1.61 21 0 "[ . 1 . 2 . 3]"
54 . 1 90 LEU C 1 91 HIS N 1 91 HIS CA 1 91 HIS C -70.40 -60.00 -63.55 -62.29 -62.94 1.30 24 0 "[ . 1 . 2 . 3]"
55 . 1 91 HIS C 1 92 ASP N 1 92 ASP CA 1 92 ASP C -72.60 -63.80 -67.35 -66.40 -67.38 0.62 28 0 "[ . 1 . 2 . 3]"
56 . 1 92 ASP C 1 93 GLY N 1 93 GLY CA 1 93 GLY C -102.90 -79.50 -85.29 -98.40 -78.89 0.61 4 0 "[ . 1 . 2 . 3]"
57 . 1 95 TYR C 1 96 ARG N 1 96 ARG CA 1 96 ARG C -123.00 -71.00 -85.18 -123.24 -70.43 0.57 15 0 "[ . 1 . 2 . 3]"
58 . 1 96 ARG C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -65.30 -55.50 -53.95 -54.02 -54.17 3.70 11 0 "[ . 1 . 2 . 3]"
59 . 1 97 ASP C 1 98 THR N 1 98 THR CA 1 98 THR C -67.30 -57.70 -62.73 -67.93 -60.03 0.63 6 0 "[ . 1 . 2 . 3]"
60 . 1 98 THR C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -65.60 -61.40 -65.94 -67.52 -61.72 1.92 25 0 "[ . 1 . 2 . 3]"
61 . 1 99 GLU C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -69.50 -61.70 -61.34 -63.17 -60.24 1.46 28 0 "[ . 1 . 2 . 3]"
62 . 1 100 ILE C 1 101 MET N 1 101 MET CA 1 101 MET C -73.90 -59.50 -73.30 -71.82 -73.35 2.20 26 0 "[ . 1 . 2 . 3]"
63 . 1 102 ARG C 1 103 TRP N 1 103 TRP CA 1 103 TRP C -68.00 -54.00 -69.17 -70.38 -67.61 2.38 15 0 "[ . 1 . 2 . 3]"
64 . 1 103 TRP C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -71.00 -57.00 -61.72 -62.34 -63.55 0.45 22 0 "[ . 1 . 2 . 3]"
65 . 1 104 LEU C 1 105 PHE N 1 105 PHE CA 1 105 PHE C -118.00 -80.00 -92.31 -102.02 -84.99 . . 0 "[ . 1 . 2 . 3]"
66 . 1 105 PHE C 1 106 THR N 1 106 THR CA 1 106 THR C -87.00 -51.00 -86.06 -89.08 -74.67 2.08 22 0 "[ . 1 . 2 . 3]"
67 . 1 106 THR C 1 107 PRO N 1 107 PRO CA 1 107 PRO C -67.00 -53.00 -61.52 -68.60 -52.68 1.60 30 0 "[ . 1 . 2 . 3]"
68 . 1 108 ASP C 1 109 PRO N 1 109 PRO CA 1 109 PRO C -60.00 -48.00 -60.43 -61.55 -56.38 1.55 11 0 "[ . 1 . 2 . 3]"
69 . 1 110 SER C 1 111 LEU N 1 111 LEU CA 1 111 LEU C -143.00 -103.00 -104.41 -113.89 -100.77 2.23 17 0 "[ . 1 . 2 . 3]"
70 . 1 111 LEU C 1 112 THR N 1 112 THR CA 1 112 THR C -131.00 -95.00 -125.23 -130.61 -131.20 1.45 25 0 "[ . 1 . 2 . 3]"
71 . 1 112 THR C 1 113 ILE N 1 113 ILE CA 1 113 ILE C -151.00 -117.00 -129.08 -128.38 -130.67 1.32 27 0 "[ . 1 . 2 . 3]"
72 . 1 113 ILE C 1 114 THR N 1 114 THR CA 1 114 THR C -146.00 -90.00 -100.19 -135.39 -87.31 2.69 1 0 "[ . 1 . 2 . 3]"
73 . 1 120 ASP C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -125.00 -61.00 -90.93 -109.88 -67.07 . . 0 "[ . 1 . 2 . 3]"
74 . 1 121 ALA C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -129.00 -87.00 -108.12 -110.98 -112.73 . . 0 "[ . 1 . 2 . 3]"
75 . 1 122 VAL C 1 123 SER N 1 123 SER CA 1 123 SER C -90.00 -76.00 -86.47 -84.00 -84.67 0.84 25 0 "[ . 1 . 2 . 3]"
76 . 1 126 ARG C 1 127 PRO N 1 127 PRO CA 1 127 PRO C -66.00 -50.00 -53.42 -52.70 -53.36 0.72 14 0 "[ . 1 . 2 . 3]"
77 . 1 127 PRO C 1 128 VAL N 1 128 VAL CA 1 128 VAL C -67.40 -61.00 -61.69 -67.37 -59.73 1.27 1 0 "[ . 1 . 2 . 3]"
78 . 1 128 VAL C 1 129 ASP N 1 129 ASP CA 1 129 ASP C -69.90 -58.90 -66.94 -63.31 -64.47 1.80 28 0 "[ . 1 . 2 . 3]"
79 . 1 129 ASP C 1 130 ALA N 1 130 ALA CA 1 130 ALA C -69.30 -60.10 -65.78 -70.04 -59.53 0.74 26 0 "[ . 1 . 2 . 3]"
80 . 1 130 ALA C 1 131 LEU N 1 131 LEU CA 1 131 LEU C -70.00 -56.40 -67.12 -70.41 -59.75 0.41 6 0 "[ . 1 . 2 . 3]"
81 . 1 131 LEU C 1 132 HIS N 1 132 HIS CA 1 132 HIS C -77.20 -59.00 -70.85 -69.36 -69.61 0.51 11 0 "[ . 1 . 2 . 3]"
82 . 1 132 HIS C 1 133 ALA N 1 133 ALA CA 1 133 ALA C -108.00 -86.00 -93.66 -95.09 -95.83 0.82 24 0 "[ . 1 . 2 . 3]"
83 . 1 133 ALA C 1 134 HIS N 1 134 HIS CA 1 134 HIS C 56.00 70.00 65.02 58.23 70.02 0.02 3 0 "[ . 1 . 2 . 3]"
84 . 1 134 HIS C 1 135 GLN N 1 135 GLN CA 1 135 GLN C -126.00 -94.00 -107.18 -96.94 -99.73 . . 0 "[ . 1 . 2 . 3]"
85 . 1 135 GLN C 1 136 ALA N 1 136 ALA CA 1 136 ALA C -66.00 -54.00 -52.81 -55.31 -50.91 3.09 29 0 "[ . 1 . 2 . 3]"
86 . 1 136 ALA C 1 137 ARG N 1 137 ARG CA 1 137 ARG C -67.00 -57.00 -56.51 -56.26 -56.37 3.03 29 0 "[ . 1 . 2 . 3]"
87 . 1 137 ARG C 1 138 GLU N 1 138 GLU CA 1 138 GLU C -73.00 -61.00 -69.75 -73.67 -63.18 0.67 2 0 "[ . 1 . 2 . 3]"
88 . 1 138 GLU C 1 139 VAL N 1 139 VAL CA 1 139 VAL C -73.00 -55.00 -69.32 -66.64 -67.52 0.46 29 0 "[ . 1 . 2 . 3]"
89 . 1 139 VAL C 1 140 VAL N 1 140 VAL CA 1 140 VAL C -66.00 -56.00 -61.06 -63.92 -58.07 . . 0 "[ . 1 . 2 . 3]"
90 . 1 140 VAL C 1 141 ARG N 1 141 ARG CA 1 141 ARG C -63.20 -57.80 -59.88 -57.36 -57.74 1.43 28 0 "[ . 1 . 2 . 3]"
91 . 1 141 ARG C 1 142 ARG N 1 142 ARG CA 1 142 ARG C -68.80 -61.40 -66.13 -69.12 -61.14 0.32 23 0 "[ . 1 . 2 . 3]"
92 . 1 142 ARG C 1 143 ALA N 1 143 ALA CA 1 143 ALA C -71.10 -58.90 -62.67 -62.76 -63.14 0.18 29 0 "[ . 1 . 2 . 3]"
93 . 1 143 ALA C 1 144 GLN N 1 144 GLN CA 1 144 GLN C -67.90 -57.70 -60.91 -67.46 -56.89 0.81 6 0 "[ . 1 . 2 . 3]"
94 . 1 144 GLN C 1 145 ALA N 1 145 ALA CA 1 145 ALA C -71.20 -59.40 -66.78 -71.15 -61.80 . . 0 "[ . 1 . 2 . 3]"
95 . 1 145 ALA C 1 146 MET N 1 146 MET CA 1 146 MET C -92.00 -70.00 -79.42 -92.71 -69.64 0.71 3 0 "[ . 1 . 2 . 3]"
96 . 1 6 ARG N 1 6 ARG CA 1 6 ARG C 1 7 ALA N 134.00 144.00 137.89 131.93 145.73 2.07 30 0 "[ . 1 . 2 . 3]"
97 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 PRO N 122.00 160.00 124.44 121.38 121.35 2.22 18 0 "[ . 1 . 2 . 3]"
98 . 1 19 PRO N 1 19 PRO CA 1 19 PRO C 1 20 ALA N 137.00 165.00 154.54 133.95 167.31 3.05 3 0 "[ . 1 . 2 . 3]"
99 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 GLY N 125.00 157.00 129.87 128.14 125.56 1.77 9 0 "[ . 1 . 2 . 3]"
100 . 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 PRO N 127.00 151.00 141.18 129.52 152.21 1.21 5 0 "[ . 1 . 2 . 3]"
101 . 1 27 PRO N 1 27 PRO CA 1 27 PRO C 1 28 ASP N -42.00 -22.00 -24.63 -21.35 -21.61 1.27 4 0 "[ . 1 . 2 . 3]"
102 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 PRO N 111.00 171.00 137.81 151.76 145.57 . . 0 "[ . 1 . 2 . 3]"
103 . 1 32 TYR N 1 32 TYR CA 1 32 TYR C 1 33 ASP N 140.00 158.00 160.71 160.68 160.38 4.40 4 0 "[ . 1 . 2 . 3]"
104 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 LEU N 148.00 172.00 164.60 162.88 162.48 1.84 3 0 "[ . 1 . 2 . 3]"
105 . 1 35 PRO N 1 35 PRO CA 1 35 PRO C 1 36 ARG N -46.00 -28.00 -35.30 -36.54 -36.70 0.41 29 0 "[ . 1 . 2 . 3]"
106 . 1 36 ARG N 1 36 ARG CA 1 36 ARG C 1 37 VAL N -49.00 -35.00 -37.49 -36.22 -36.83 1.02 5 0 "[ . 1 . 2 . 3]"
107 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 ALA N -50.00 -38.00 -39.70 -43.61 -36.77 1.23 17 0 "[ . 1 . 2 . 3]"
108 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 GLU N -48.00 -36.00 -39.29 -40.89 -41.70 0.19 25 0 "[ . 1 . 2 . 3]"
109 . 1 39 GLU N 1 39 GLU CA 1 39 GLU C 1 40 LEU N -44.60 -35.00 -44.65 -46.70 -34.72 2.10 14 0 "[ . 1 . 2 . 3]"
110 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 LEU N -50.00 -26.00 -47.51 -47.50 -49.03 0.74 24 0 "[ . 1 . 2 . 3]"
111 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 GLY N -18.00 4.00 -16.79 -19.01 -9.54 1.01 13 0 "[ . 1 . 2 . 3]"
112 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 PRO N 144.00 164.00 159.92 163.48 162.12 1.05 20 0 "[ . 1 . 2 . 3]"
113 . 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 SER N -56.00 -34.00 -34.12 -32.64 -32.84 1.63 14 0 "[ . 1 . 2 . 3]"
114 . 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 LYS N -46.00 -32.00 -40.96 -46.33 -33.93 0.33 10 0 "[ . 1 . 2 . 3]"
115 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 VAL N -46.00 -33.00 -34.70 -32.92 -33.48 0.96 9 0 "[ . 1 . 2 . 3]"
116 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 ALA N -48.40 -40.80 -43.19 -43.02 -43.70 0.26 19 0 "[ . 1 . 2 . 3]"
117 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 GLN N -49.00 -37.00 -37.25 -43.37 -35.49 1.51 28 0 "[ . 1 . 2 . 3]"
118 . 1 50 GLN N 1 50 GLN CA 1 50 GLN C 1 51 GLN N -46.40 -36.00 -39.13 -38.24 -39.32 1.80 25 0 "[ . 1 . 2 . 3]"
119 . 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 LEU N -50.70 -34.10 -44.56 -50.72 -33.71 0.39 21 0 "[ . 1 . 2 . 3]"
120 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 ARG N -47.20 -34.20 -41.04 -38.92 -38.94 0.14 28 0 "[ . 1 . 2 . 3]"
121 . 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 GLU N -45.90 -22.50 -26.39 -23.95 -25.72 1.63 10 0 "[ . 1 . 2 . 3]"
122 . 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 GLY N -11.60 19.00 -6.21 -13.42 11.78 1.82 2 0 "[ . 1 . 2 . 3]"
123 . 1 55 GLY N 1 55 GLY CA 1 55 GLY C 1 56 HIS N 13.00 47.00 32.98 20.72 43.22 . . 0 "[ . 1 . 2 . 3]"
124 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 VAL N 153.00 177.00 156.36 151.57 171.26 1.43 9 0 "[ . 1 . 2 . 3]"
125 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 ALA N 147.20 161.40 153.95 154.92 152.29 1.19 19 0 "[ . 1 . 2 . 3]"
126 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 VAL N 139.60 161.60 158.46 161.54 159.71 2.55 6 0 "[ . 1 . 2 . 3]"
127 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 ARG N 134.50 165.70 165.03 167.53 166.96 3.53 14 0 "[ . 1 . 2 . 3]"
128 . 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 ARG N 115.90 143.10 125.77 134.76 132.38 0.78 20 0 "[ . 1 . 2 . 3]"
129 . 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 ALA N 114.20 138.00 124.65 116.07 114.67 1.39 14 0 "[ . 1 . 2 . 3]"
130 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 VAL N 121.30 148.10 121.14 119.70 128.80 1.60 25 0 "[ . 1 . 2 . 3]"
131 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 ILE N 151.30 177.30 160.00 158.48 157.88 0.47 29 0 "[ . 1 . 2 . 3]"
132 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 PRO N 114.70 160.30 127.99 123.98 122.22 0.27 4 0 "[ . 1 . 2 . 3]"
133 . 1 70 GLN N 1 70 GLN CA 1 70 GLN C 1 71 VAL N -42.00 -26.00 -29.44 -31.19 -34.88 2.02 19 0 "[ . 1 . 2 . 3]"
134 . 1 73 PHE N 1 73 PHE CA 1 73 PHE C 1 74 THR N 140.00 164.00 155.76 148.51 145.12 0.68 18 0 "[ . 1 . 2 . 3]"
135 . 1 74 THR N 1 74 THR CA 1 74 THR C 1 75 ASN N 159.00 175.00 170.37 158.46 176.10 1.10 29 0 "[ . 1 . 2 . 3]"
136 . 1 75 ASN N 1 75 ASN CA 1 75 ASN C 1 76 SER N -43.00 -17.40 -19.17 -33.68 -15.33 2.07 5 0 "[ . 1 . 2 . 3]"
137 . 1 76 SER N 1 76 SER CA 1 76 SER C 1 77 GLY N -21.70 5.70 -5.69 -19.90 3.43 . . 0 "[ . 1 . 2 . 3]"
138 . 1 78 GLN N 1 78 GLN CA 1 78 GLN C 1 79 VAL N 139.60 166.00 153.66 164.87 162.86 0.26 25 0 "[ . 1 . 2 . 3]"
139 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 VAL N 102.90 155.30 140.45 141.80 141.12 0.89 26 0 "[ . 1 . 2 . 3]"
140 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 SER N -43.40 -22.40 -31.88 -36.56 -39.69 1.54 7 0 "[ . 1 . 2 . 3]"
141 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 PRO N -56.90 -40.70 -52.16 -57.68 -45.07 0.78 4 0 "[ . 1 . 2 . 3]"
142 . 1 84 PRO N 1 84 PRO CA 1 84 PRO C 1 85 GLY N -44.10 -21.90 -29.10 -38.67 -21.62 0.28 30 0 "[ . 1 . 2 . 3]"
143 . 1 85 GLY N 1 85 GLY CA 1 85 GLY C 1 86 LEU N -44.50 -34.90 -43.73 -45.66 -38.20 1.16 29 0 "[ . 1 . 2 . 3]"
144 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 LEU N -50.30 -40.90 -40.31 -42.01 -39.12 1.78 16 0 "[ . 1 . 2 . 3]"
145 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 THR N -48.20 -32.80 -39.21 -46.55 -32.69 0.11 22 0 "[ . 1 . 2 . 3]"
146 . 1 88 THR N 1 88 THR CA 1 88 THR C 1 89 ILE N -50.00 -34.40 -45.88 -48.36 -49.02 0.98 1 0 "[ . 1 . 2 . 3]"
147 . 1 89 ILE N 1 89 ILE CA 1 89 ILE C 1 90 LEU N -52.10 -31.70 -43.26 -42.15 -42.56 . . 0 "[ . 1 . 2 . 3]"
148 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 HIS N -50.70 -36.30 -36.75 -34.57 -35.04 1.73 2 0 "[ . 1 . 2 . 3]"
149 . 1 91 HIS N 1 91 HIS CA 1 91 HIS C 1 92 ASP N -45.00 -33.80 -37.50 -35.95 -36.99 1.51 9 0 "[ . 1 . 2 . 3]"
150 . 1 92 ASP N 1 92 ASP CA 1 92 ASP C 1 93 GLY N -30.10 -19.10 -30.00 -31.87 -24.94 1.77 22 0 "[ . 1 . 2 . 3]"
151 . 1 93 GLY N 1 93 GLY CA 1 93 GLY C 1 94 GLY N -9.10 19.50 -6.69 -9.95 6.42 0.85 22 0 "[ . 1 . 2 . 3]"
152 . 1 96 ARG N 1 96 ARG CA 1 96 ARG C 1 97 ASP N 158.00 170.00 171.79 169.21 175.96 5.96 6 1 "[ .+ 1 . 2 . 3]"
153 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 THR N -44.90 -31.90 -44.45 -41.27 -42.59 2.16 6 0 "[ . 1 . 2 . 3]"
154 . 1 98 THR N 1 98 THR CA 1 98 THR C 1 99 GLU N -49.50 -42.50 -41.26 -42.57 -39.99 2.51 10 0 "[ . 1 . 2 . 3]"
155 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 ILE N -45.20 -34.00 -37.39 -37.58 -37.92 0.64 4 0 "[ . 1 . 2 . 3]"
156 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 MET N -47.10 -39.10 -48.34 -48.19 -48.41 2.97 15 0 "[ . 1 . 2 . 3]"
157 . 1 101 MET N 1 101 MET CA 1 101 MET C 1 102 ARG N -36.40 -10.80 -20.06 -28.64 -13.52 . . 0 "[ . 1 . 2 . 3]"
158 . 1 103 TRP N 1 103 TRP CA 1 103 TRP C 1 104 LEU N -49.00 -33.00 -32.49 -35.34 -31.46 1.54 22 0 "[ . 1 . 2 . 3]"
159 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 PHE N -40.00 -32.00 -40.23 -41.89 -37.83 1.89 29 0 "[ . 1 . 2 . 3]"
160 . 1 105 PHE N 1 105 PHE CA 1 105 PHE C 1 106 THR N -25.00 13.00 -6.17 -18.30 10.76 . . 0 "[ . 1 . 2 . 3]"
161 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 PRO N 110.00 150.00 119.33 119.20 118.59 0.21 9 0 "[ . 1 . 2 . 3]"
162 . 1 107 PRO N 1 107 PRO CA 1 107 PRO C 1 108 ASP N 130.00 156.00 132.68 128.84 128.76 1.28 1 0 "[ . 1 . 2 . 3]"
163 . 1 109 PRO N 1 109 PRO CA 1 109 PRO C 1 110 SER N -43.00 -17.00 -23.12 -23.92 -24.55 0.69 18 0 "[ . 1 . 2 . 3]"
164 . 1 111 LEU N 1 111 LEU CA 1 111 LEU C 1 112 THR N 95.00 145.00 126.67 128.69 126.89 . . 0 "[ . 1 . 2 . 3]"
165 . 1 112 THR N 1 112 THR CA 1 112 THR C 1 113 ILE N 111.00 149.00 116.50 112.72 111.34 0.52 21 0 "[ . 1 . 2 . 3]"
166 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C 1 114 THR N 143.00 163.00 155.95 142.61 165.01 2.01 18 0 "[ . 1 . 2 . 3]"
167 . 1 114 THR N 1 114 THR CA 1 114 THR C 1 115 ARG N 127.00 159.00 138.77 125.14 160.09 1.86 11 0 "[ . 1 . 2 . 3]"
168 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 VAL N 125.00 157.00 132.78 141.72 140.54 1.35 8 0 "[ . 1 . 2 . 3]"
169 . 1 122 VAL N 1 122 VAL CA 1 122 VAL C 1 123 SER N 119.00 141.00 121.67 124.65 122.80 1.32 14 0 "[ . 1 . 2 . 3]"
170 . 1 123 SER N 1 123 SER CA 1 123 SER C 1 124 ASN N 112.00 172.00 144.43 146.64 142.95 . . 0 "[ . 1 . 2 . 3]"
171 . 1 127 PRO N 1 127 PRO CA 1 127 PRO C 1 128 VAL N -44.00 -18.00 -25.41 -34.08 -17.08 0.92 4 0 "[ . 1 . 2 . 3]"
172 . 1 128 VAL N 1 128 VAL CA 1 128 VAL C 1 129 ASP N -42.50 -13.30 -40.38 -44.78 -32.33 2.28 28 0 "[ . 1 . 2 . 3]"
173 . 1 129 ASP N 1 129 ASP CA 1 129 ASP C 1 130 ALA N -50.90 -30.90 -33.78 -42.28 -29.38 1.52 28 0 "[ . 1 . 2 . 3]"
174 . 1 130 ALA N 1 130 ALA CA 1 130 ALA C 1 131 LEU N -51.50 -35.50 -42.85 -41.71 -43.29 1.14 1 0 "[ . 1 . 2 . 3]"
175 . 1 131 LEU N 1 131 LEU CA 1 131 LEU C 1 132 HIS N -42.10 -26.50 -35.94 -44.18 -32.51 2.08 5 0 "[ . 1 . 2 . 3]"
176 . 1 132 HIS N 1 132 HIS CA 1 132 HIS C 1 133 ALA N -45.30 -14.30 -24.19 -23.63 -24.06 0.69 17 0 "[ . 1 . 2 . 3]"
177 . 1 133 ALA N 1 133 ALA CA 1 133 ALA C 1 134 HIS N -1.00 21.00 9.40 -0.26 21.40 0.40 27 0 "[ . 1 . 2 . 3]"
178 . 1 134 HIS N 1 134 HIS CA 1 134 HIS C 1 135 GLN N 29.00 45.00 28.80 28.70 28.47 1.83 17 0 "[ . 1 . 2 . 3]"
179 . 1 135 GLN N 1 135 GLN CA 1 135 GLN C 1 136 ALA N -10.00 22.00 24.27 22.69 26.19 4.19 11 0 "[ . 1 . 2 . 3]"
180 . 1 136 ALA N 1 136 ALA CA 1 136 ALA C 1 137 ARG N -44.00 -30.00 -27.76 -31.48 -24.80 5.20 29 1 "[ . 1 . 2 . +3]"
181 . 1 137 ARG N 1 137 ARG CA 1 137 ARG C 1 138 GLU N -47.00 -31.00 -39.58 -47.58 -31.95 0.58 25 0 "[ . 1 . 2 . 3]"
182 . 1 138 GLU N 1 138 GLU CA 1 138 GLU C 1 139 VAL N -45.00 -25.00 -31.42 -30.55 -32.13 0.18 3 0 "[ . 1 . 2 . 3]"
183 . 1 139 VAL N 1 139 VAL CA 1 139 VAL C 1 140 VAL N -49.00 -39.00 -45.73 -49.49 -40.55 0.49 28 0 "[ . 1 . 2 . 3]"
184 . 1 140 VAL N 1 140 VAL CA 1 140 VAL C 1 141 ARG N -49.00 -43.00 -43.83 -42.98 -43.94 1.85 28 0 "[ . 1 . 2 . 3]"
185 . 1 141 ARG N 1 141 ARG CA 1 141 ARG C 1 142 ARG N -46.80 -39.00 -43.13 -46.72 -46.86 1.57 6 0 "[ . 1 . 2 . 3]"
186 . 1 142 ARG N 1 142 ARG CA 1 142 ARG C 1 143 ALA N -41.50 -34.10 -37.72 -41.64 -33.41 0.69 20 0 "[ . 1 . 2 . 3]"
187 . 1 143 ALA N 1 143 ALA CA 1 143 ALA C 1 144 GLN N -46.30 -32.90 -44.44 -45.63 -46.29 0.44 19 0 "[ . 1 . 2 . 3]"
188 . 1 144 GLN N 1 144 GLN CA 1 144 GLN C 1 145 ALA N -49.40 -33.40 -42.80 -40.11 -41.18 0.54 27 0 "[ . 1 . 2 . 3]"
189 . 1 145 ALA N 1 145 ALA CA 1 145 ALA C 1 146 MET N -47.60 -18.20 -29.22 -23.82 -25.96 0.66 27 0 "[ . 1 . 2 . 3]"
190 . 1 146 MET N 1 146 MET CA 1 146 MET C 1 147 ALA N -47.00 -15.00 -36.03 -29.81 -30.85 0.90 14 0 "[ . 1 . 2 . 3]"
191 . 1 12 LEU N 1 12 LEU CA 1 12 LEU CB 1 12 LEU CG -90.00 -30.00 -63.51 -60.49 -60.97 . . 0 "[ . 1 . 2 . 3]"
192 . 1 18 ILE N 1 18 ILE CA 1 18 ILE CB 1 18 ILE CG1 -90.00 -30.00 -60.75 -64.36 -66.12 . . 0 "[ . 1 . 2 . 3]"
193 . 1 24 VAL N 1 24 VAL CA 1 24 VAL CB 1 24 VAL CG1 150.00 -150.00 -178.77 -173.39 -174.72 . . 0 "[ . 1 . 2 . 3]"
194 . 1 37 VAL N 1 37 VAL CA 1 37 VAL CB 1 37 VAL CG1 150.00 -150.00 -179.62 175.45 -173.58 . . 0 "[ . 1 . 2 . 3]"
195 . 1 45 VAL N 1 45 VAL CA 1 45 VAL CB 1 45 VAL CG1 150.00 -150.00 -179.49 172.98 -175.42 . . 0 "[ . 1 . 2 . 3]"
196 . 1 48 VAL N 1 48 VAL CA 1 48 VAL CB 1 48 VAL CG1 150.00 -150.00 -179.98 179.51 179.20 . . 0 "[ . 1 . 2 . 3]"
197 . 1 67 VAL N 1 67 VAL CA 1 67 VAL CB 1 67 VAL CG1 -90.00 -30.00 -71.04 -71.84 -73.15 . . 0 "[ . 1 . 2 . 3]"
198 . 1 71 VAL N 1 71 VAL CA 1 71 VAL CB 1 71 VAL CG1 -90.00 -30.00 -64.16 -59.76 -61.06 . . 0 "[ . 1 . 2 . 3]"
199 . 1 73 PHE N 1 73 PHE CA 1 73 PHE CB 1 73 PHE CG -90.00 -30.00 -63.97 -64.43 -64.75 . . 0 "[ . 1 . 2 . 3]"
200 . 1 74 THR N 1 74 THR CA 1 74 THR CB 1 74 THR OG1 30.00 90.00 55.32 54.09 53.33 . . 0 "[ . 1 . 2 . 3]"
201 . 1 80 VAL N 1 80 VAL CA 1 80 VAL CB 1 80 VAL CG1 150.00 -150.00 -176.63 -174.74 -175.63 . . 0 "[ . 1 . 2 . 3]"
202 . 1 100 ILE N 1 100 ILE CA 1 100 ILE CB 1 100 ILE CG1 -90.00 -30.00 -46.73 -50.81 -51.82 . . 0 "[ . 1 . 2 . 3]"
203 . 1 122 VAL N 1 122 VAL CA 1 122 VAL CB 1 122 VAL CG1 150.00 -150.00 -177.79 -178.27 -178.63 . . 0 "[ . 1 . 2 . 3]"
204 . 1 128 VAL N 1 128 VAL CA 1 128 VAL CB 1 128 VAL CG1 150.00 -150.00 179.07 166.72 -168.27 . . 0 "[ . 1 . 2 . 3]"
205 . 1 135 GLN N 1 135 GLN CA 1 135 GLN CB 1 135 GLN CG -90.00 -30.00 -62.06 -75.06 -50.76 . . 0 "[ . 1 . 2 . 3]"
206 . 1 139 VAL N 1 139 VAL CA 1 139 VAL CB 1 139 VAL CG1 150.00 -150.00 -178.30 176.53 -171.37 . . 0 "[ . 1 . 2 . 3]"
207 . 1 140 VAL N 1 140 VAL CA 1 140 VAL CB 1 140 VAL CG1 150.00 -150.00 179.62 179.85 179.68 . . 0 "[ . 1 . 2 . 3]"
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