NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
639513 |
6r3c   |
34383 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6r3c
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 212
_TA_constraint_stats_list.Viol_count 291
_TA_constraint_stats_list.Viol_total 128912.19
_TA_constraint_stats_list.Viol_max 86.56
_TA_constraint_stats_list.Viol_rms 10.90
_TA_constraint_stats_list.Viol_average_all_restraints 1.52
_TA_constraint_stats_list.Viol_average_violations_only 22.15
_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 1 GLY C 1 2 VAL N 1 2 VAL CA 1 2 VAL C -150.56 -78.76 -134.19 -132.60 -133.12 . . 0 "[ . 1 . 2]"
2 . 1 2 VAL C 1 3 PHE N 1 3 PHE CA 1 3 PHE C -150.34 -83.02 -97.40 -113.71 -89.82 . . 0 "[ . 1 . 2]"
3 . 1 3 PHE C 1 4 ASN N 1 4 ASN CA 1 4 ASN C -146.64 -70.80 -123.56 -136.88 -115.43 . . 0 "[ . 1 . 2]"
4 . 1 4 ASN C 1 5 TYR N 1 5 TYR CA 1 5 TYR C -151.35 -86.95 -121.23 -120.29 -121.69 . . 0 "[ . 1 . 2]"
5 . 1 5 TYR C 1 6 GLU N 1 6 GLU CA 1 6 GLU C -146.93 -90.05 -120.33 -122.62 -124.54 . . 0 "[ . 1 . 2]"
6 . 1 6 GLU C 1 7 THR N 1 7 THR CA 1 7 THR C -175.22 -85.10 -130.31 -142.08 -125.11 . . 0 "[ . 1 . 2]"
7 . 1 7 THR C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -153.19 -101.35 -128.12 -123.84 -124.88 . . 0 "[ . 1 . 2]"
8 . 1 8 GLU C 1 9 THR N 1 9 THR CA 1 9 THR C -139.41 -93.81 -137.12 -137.82 -138.97 0.35 11 0 "[ . 1 . 2]"
9 . 1 9 THR C 1 10 THR N 1 10 THR CA 1 10 THR C -149.68 -91.60 -118.76 -123.62 -124.09 . . 0 "[ . 1 . 2]"
10 . 1 10 THR C 1 11 SER N 1 11 SER CA 1 11 SER C -154.35 -81.51 -145.72 -154.33 -137.65 . . 0 "[ . 1 . 2]"
11 . 1 12 VAL C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -136.65 -43.61 -57.74 -67.33 -50.52 . . 0 "[ . 1 . 2]"
12 . 1 15 ALA C 1 16 ALA N 1 16 ALA CA 1 16 ALA C -73.01 -55.49 -63.67 -73.47 -55.98 0.46 11 0 "[ . 1 . 2]"
13 . 1 16 ALA C 1 17 ARG N 1 17 ARG CA 1 17 ARG C -78.31 -52.83 -74.74 -78.68 -66.65 0.37 10 0 "[ . 1 . 2]"
14 . 1 17 ARG C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -82.95 -53.19 -67.88 -67.37 -67.44 . . 0 "[ . 1 . 2]"
15 . 1 18 LEU C 1 19 PHE N 1 19 PHE CA 1 19 PHE C -69.67 -53.99 -63.43 -63.12 -64.94 0.24 6 0 "[ . 1 . 2]"
16 . 1 19 PHE C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -80.82 -55.06 -69.00 -80.01 -56.36 . . 0 "[ . 1 . 2]"
17 . 1 20 LYS C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -89.04 -46.32 -70.78 -71.59 -71.76 . . 0 "[ . 1 . 2]"
18 . 1 21 ALA C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -94.99 -48.19 -72.54 -84.14 -60.34 . . 0 "[ . 1 . 2]"
19 . 1 22 PHE C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -109.98 -39.22 -102.44 -110.44 -92.15 0.46 15 0 "[ . 1 . 2]"
20 . 1 26 GLY C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -73.96 -50.72 -70.91 -70.91 -72.17 0.07 14 0 "[ . 1 . 2]"
21 . 1 27 ASP C 1 28 ASN N 1 28 ASN CA 1 28 ASN C -97.60 -45.12 -83.74 -84.58 -85.80 . . 0 "[ . 1 . 2]"
22 . 1 28 ASN C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -77.63 -44.51 -66.00 -74.74 -57.16 . . 0 "[ . 1 . 2]"
23 . 1 29 LEU C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -103.68 -30.84 -48.49 -48.72 -51.86 . . 0 "[ . 1 . 2]"
24 . 1 30 PHE C 1 31 PRO N 1 31 PRO CA 1 31 PRO C -92.61 -41.45 -71.31 -72.18 -70.34 . . 0 "[ . 1 . 2]"
25 . 1 31 PRO C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -96.12 -48.44 -60.93 -66.19 -48.66 . . 0 "[ . 1 . 2]"
26 . 1 32 LYS C 1 33 VAL N 1 33 VAL CA 1 33 VAL C -136.01 -77.73 -80.63 -79.21 -80.40 0.18 13 0 "[ . 1 . 2]"
27 . 1 36 GLN C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -178.29 -55.61 -92.25 -98.69 -87.54 . . 0 "[ . 1 . 2]"
28 . 1 40 SER C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -153.40 -87.40 -118.60 -122.04 -122.96 . . 0 "[ . 1 . 2]"
29 . 1 41 VAL C 1 42 GLU N 1 42 GLU CA 1 42 GLU C -166.31 -98.79 -133.99 -147.48 -121.71 . . 0 "[ . 1 . 2]"
30 . 1 42 GLU C 1 43 ASN N 1 43 ASN CA 1 43 ASN C -103.19 -72.23 -99.38 -103.30 -90.63 0.11 16 0 "[ . 1 . 2]"
31 . 1 51 GLY C 1 52 THR N 1 52 THR CA 1 52 THR C -116.37 -73.49 -87.48 -88.53 -88.75 . . 0 "[ . 1 . 2]"
32 . 1 52 THR C 1 53 ILE N 1 53 ILE CA 1 53 ILE C -140.82 -92.90 -110.44 -108.51 -109.32 . . 0 "[ . 1 . 2]"
33 . 1 53 ILE C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -143.92 -99.84 -120.47 -124.47 -126.66 . . 0 "[ . 1 . 2]"
34 . 1 54 LYS C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -143.38 -87.34 -95.63 -107.42 -89.64 . . 0 "[ . 1 . 2]"
35 . 1 55 LYS C 1 56 ILE N 1 56 ILE CA 1 56 ILE C -140.21 -69.65 -110.04 -110.33 -111.41 . . 0 "[ . 1 . 2]"
36 . 1 56 ILE C 1 57 SER N 1 57 SER CA 1 57 SER C -156.38 -72.46 -109.01 -116.91 -98.76 . . 0 "[ . 1 . 2]"
37 . 1 57 SER C 1 58 PHE N 1 58 PHE CA 1 58 PHE C -151.13 -59.93 -120.48 -121.85 -124.71 . . 0 "[ . 1 . 2]"
38 . 1 61 GLY C 1 62 PHE N 1 62 PHE CA 1 62 PHE C -143.25 -22.69 -106.12 -109.20 -111.20 . . 0 "[ . 1 . 2]"
39 . 1 63 PRO C 1 64 PHE N 1 64 PHE CA 1 64 PHE C -149.23 -77.47 -114.69 -119.67 -123.31 . . 0 "[ . 1 . 2]"
40 . 1 66 TYR C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -158.29 -113.81 -140.64 -148.89 -133.72 . . 0 "[ . 1 . 2]"
41 . 1 67 VAL C 1 68 LYS N 1 68 LYS CA 1 68 LYS C -179.33 -74.57 -97.26 -114.65 -85.57 . . 0 "[ . 1 . 2]"
42 . 1 69 ASP C 1 70 ARG N 1 70 ARG CA 1 70 ARG C -153.49 -87.37 -134.28 -145.81 -119.36 . . 0 "[ . 1 . 2]"
43 . 1 70 ARG C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -138.94 -27.06 -99.92 -93.16 -97.22 . . 0 "[ . 1 . 2]"
44 . 1 71 VAL C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -126.93 -76.97 -80.18 -84.15 -76.90 0.07 18 0 "[ . 1 . 2]"
45 . 1 72 ASP C 1 73 GLU N 1 73 GLU CA 1 73 GLU C 176.00 -55.44 -179.70 -178.74 -179.87 . . 0 "[ . 1 . 2]"
46 . 1 73 GLU C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -146.36 -99.92 -119.93 -121.91 -122.82 . . 0 "[ . 1 . 2]"
47 . 1 74 VAL C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -137.70 -60.58 -110.93 -124.45 -98.91 . . 0 "[ . 1 . 2]"
48 . 1 75 ASP C 1 76 HIS N 1 76 HIS CA 1 76 HIS C -70.58 -47.74 -62.01 -59.97 -61.09 . . 0 "[ . 1 . 2]"
49 . 1 79 PHE C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -157.48 -89.00 -102.10 -111.38 -92.16 . . 0 "[ . 1 . 2]"
50 . 1 80 LYS C 1 81 TYR N 1 81 TYR CA 1 81 TYR C -156.34 -104.18 -124.64 -132.41 -133.91 . . 0 "[ . 1 . 2]"
51 . 1 81 TYR C 1 82 ASN N 1 82 ASN CA 1 82 ASN C -134.25 -84.13 -120.51 -122.28 -123.98 . . 0 "[ . 1 . 2]"
52 . 1 82 ASN C 1 83 TYR N 1 83 TYR CA 1 83 TYR C -163.61 -92.17 -147.54 -148.32 -149.69 . . 0 "[ . 1 . 2]"
53 . 1 83 TYR C 1 84 SER N 1 84 SER CA 1 84 SER C -158.67 -90.43 -146.63 -155.21 -132.42 . . 0 "[ . 1 . 2]"
54 . 1 90 PRO C 1 91 ILE N 1 91 ILE CA 1 91 ILE C -140.07 -29.15 -116.98 -124.92 -111.69 . . 0 "[ . 1 . 2]"
55 . 1 96 GLU C 1 97 LYS N 1 97 LYS CA 1 97 LYS C 146.52 -65.12 -64.75 -65.12 -64.39 0.73 5 0 "[ . 1 . 2]"
56 . 1 97 LYS C 1 98 ILE N 1 98 ILE CA 1 98 ILE C -148.75 -80.59 -115.75 -120.77 -104.41 . . 0 "[ . 1 . 2]"
57 . 1 98 ILE C 1 99 SER N 1 99 SER CA 1 99 SER C -157.79 -76.15 -121.50 -123.73 -127.61 . . 0 "[ . 1 . 2]"
58 . 1 99 SER C 1 100 ASN N 1 100 ASN CA 1 100 ASN C -146.43 -104.19 -118.45 -137.73 -110.09 . . 0 "[ . 1 . 2]"
59 . 1 100 ASN C 1 101 GLU N 1 101 GLU CA 1 101 GLU C -154.46 -99.34 -120.59 -121.24 -122.09 . . 0 "[ . 1 . 2]"
60 . 1 101 GLU C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -137.77 -103.13 -115.61 -115.29 -116.32 . . 0 "[ . 1 . 2]"
61 . 1 102 ILE C 1 103 LYS N 1 103 LYS CA 1 103 LYS C -133.61 -110.73 -133.14 -132.52 -133.05 0.30 11 0 "[ . 1 . 2]"
62 . 1 103 LYS C 1 104 ILE N 1 104 ILE CA 1 104 ILE C -144.04 -71.08 -110.36 -108.33 -109.47 . . 0 "[ . 1 . 2]"
63 . 1 104 ILE C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -142.21 -93.89 -130.20 -133.93 -134.95 . . 0 "[ . 1 . 2]"
64 . 1 105 VAL C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -139.25 -64.41 -100.26 -95.87 -98.14 . . 0 "[ . 1 . 2]"
65 . 1 107 THR C 1 108 PRO N 1 108 PRO CA 1 108 PRO C -74.86 -38.94 -70.37 -72.03 -69.43 . . 0 "[ . 1 . 2]"
66 . 1 111 GLY C 1 112 SER N 1 112 SER CA 1 112 SER C -175.39 -88.11 -117.72 -104.98 -106.64 . . 0 "[ . 1 . 2]"
67 . 1 112 SER C 1 113 ILE N 1 113 ILE CA 1 113 ILE C -158.09 -101.17 -108.95 -104.43 -105.07 . . 0 "[ . 1 . 2]"
68 . 1 113 ILE C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -145.10 -78.94 -107.58 -120.17 -90.07 . . 0 "[ . 1 . 2]"
69 . 1 114 LEU C 1 115 LYS N 1 115 LYS CA 1 115 LYS C -140.30 -72.70 -124.45 -103.78 -111.41 0.48 14 0 "[ . 1 . 2]"
70 . 1 115 LYS C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -139.54 -97.50 -119.92 -117.08 -117.93 . . 0 "[ . 1 . 2]"
71 . 1 116 ILE C 1 117 SER N 1 117 SER CA 1 117 SER C -138.67 -91.87 -118.44 -126.40 -97.06 . . 0 "[ . 1 . 2]"
72 . 1 117 SER C 1 118 ASN N 1 118 ASN CA 1 118 ASN C -156.64 -96.40 -114.18 -111.92 -113.49 . . 0 "[ . 1 . 2]"
73 . 1 118 ASN C 1 119 LYS N 1 119 LYS CA 1 119 LYS C -138.38 -78.86 -132.14 -138.84 -122.88 0.46 13 0 "[ . 1 . 2]"
74 . 1 119 LYS C 1 120 TYR N 1 120 TYR CA 1 120 TYR C -156.48 -77.12 -118.22 -111.63 -114.24 . . 0 "[ . 1 . 2]"
75 . 1 120 TYR C 1 121 HIS N 1 121 HIS CA 1 121 HIS C -119.92 -78.16 -115.13 -119.88 -109.74 . . 0 "[ . 1 . 2]"
76 . 1 121 HIS C 1 122 THR N 1 122 THR CA 1 122 THR C -151.63 -84.27 -129.82 -135.04 -121.79 . . 0 "[ . 1 . 2]"
77 . 1 128 VAL C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -149.36 -39.96 -84.97 -84.42 -85.31 . . 0 "[ . 1 . 2]"
78 . 1 129 LYS C 1 130 ALA N 1 130 ALA CA 1 130 ALA C -68.04 -49.72 -59.08 -58.58 -59.53 . . 0 "[ . 1 . 2]"
79 . 1 130 ALA C 1 131 GLU N 1 131 GLU CA 1 131 GLU C -76.16 -49.60 -57.21 -61.17 -52.86 . . 0 "[ . 1 . 2]"
80 . 1 131 GLU C 1 132 GLN N 1 132 GLN CA 1 132 GLN C -84.91 -52.87 -56.62 -52.93 -54.31 0.41 20 0 "[ . 1 . 2]"
81 . 1 132 GLN C 1 133 VAL N 1 133 VAL CA 1 133 VAL C -73.42 -55.58 -70.07 -73.75 -65.16 0.33 2 0 "[ . 1 . 2]"
82 . 1 133 VAL C 1 134 LYS N 1 134 LYS CA 1 134 LYS C -71.62 -51.26 -58.62 -65.83 -52.37 . . 0 "[ . 1 . 2]"
83 . 1 134 LYS C 1 135 ALA N 1 135 ALA CA 1 135 ALA C -72.68 -57.68 -63.05 -69.47 -57.79 . . 0 "[ . 1 . 2]"
84 . 1 135 ALA C 1 136 SER N 1 136 SER CA 1 136 SER C -71.84 -59.44 -63.06 -63.39 -64.48 . . 0 "[ . 1 . 2]"
85 . 1 136 SER C 1 137 LYS N 1 137 LYS CA 1 137 LYS C -71.31 -57.99 -61.51 -57.89 -58.36 0.16 16 0 "[ . 1 . 2]"
86 . 1 137 LYS C 1 138 GLU N 1 138 GLU CA 1 138 GLU C -79.92 -55.08 -62.61 -59.78 -60.45 . . 0 "[ . 1 . 2]"
87 . 1 138 GLU C 1 139 MET N 1 139 MET CA 1 139 MET C -78.65 -52.69 -61.26 -59.58 -60.48 0.09 7 0 "[ . 1 . 2]"
88 . 1 139 MET C 1 140 GLY N 1 140 GLY CA 1 140 GLY C -70.55 -57.67 -60.49 -66.14 -57.19 0.48 14 0 "[ . 1 . 2]"
89 . 1 140 GLY C 1 141 GLU N 1 141 GLU CA 1 141 GLU C -80.06 -54.42 -68.46 -66.42 -67.66 . . 0 "[ . 1 . 2]"
90 . 1 141 GLU C 1 142 THR N 1 142 THR CA 1 142 THR C -75.50 -54.22 -65.98 -72.97 -54.10 0.12 14 0 "[ . 1 . 2]"
91 . 1 142 THR C 1 143 LEU N 1 143 LEU CA 1 143 LEU C -74.30 -51.82 -71.71 -74.37 -69.04 0.07 11 0 "[ . 1 . 2]"
92 . 1 143 LEU C 1 144 LEU N 1 144 LEU CA 1 144 LEU C -74.79 -49.91 -72.03 -74.91 -66.76 0.12 4 0 "[ . 1 . 2]"
93 . 1 144 LEU C 1 145 ARG N 1 145 ARG CA 1 145 ARG C -75.24 -49.44 -64.27 -61.43 -63.30 . . 0 "[ . 1 . 2]"
94 . 1 145 ARG C 1 146 ALA N 1 146 ALA CA 1 146 ALA C -73.46 -62.94 -66.46 -63.25 -64.73 0.30 17 0 "[ . 1 . 2]"
95 . 1 146 ALA C 1 147 VAL N 1 147 VAL CA 1 147 VAL C -79.85 -54.61 -62.30 -61.72 -61.89 . . 0 "[ . 1 . 2]"
96 . 1 147 VAL C 1 148 GLU N 1 148 GLU CA 1 148 GLU C -67.42 -49.58 -56.19 -54.46 -54.88 0.00 17 0 "[ . 1 . 2]"
97 . 1 148 GLU C 1 149 SER N 1 149 SER CA 1 149 SER C -72.66 -51.90 -56.15 -58.84 -59.71 0.29 11 0 "[ . 1 . 2]"
98 . 1 149 SER C 1 150 TYR N 1 150 TYR CA 1 150 TYR C -73.72 -55.76 -61.87 -67.84 -57.23 . . 0 "[ . 1 . 2]"
99 . 1 150 TYR C 1 151 LEU N 1 151 LEU CA 1 151 LEU C -77.40 -50.76 -62.03 -63.11 -63.24 . . 0 "[ . 1 . 2]"
100 . 1 151 LEU C 1 152 LEU N 1 152 LEU CA 1 152 LEU C -81.29 -55.85 -72.11 -74.92 -75.25 . . 0 "[ . 1 . 2]"
101 . 1 154 HIS C 1 155 SER N 1 155 SER CA 1 155 SER C -73.47 -44.31 -59.70 -57.64 -58.40 . . 0 "[ . 1 . 2]"
102 . 1 155 SER C 1 156 ASP N 1 156 ASP CA 1 156 ASP C -109.43 -70.39 -78.43 -71.19 -72.24 0.20 8 0 "[ . 1 . 2]"
103 . 1 2 VAL N 1 2 VAL CA 1 2 VAL C 1 3 PHE N 107.42 163.78 144.24 153.21 149.24 . . 0 "[ . 1 . 2]"
104 . 1 3 PHE N 1 3 PHE CA 1 3 PHE C 1 4 ASN N 119.64 151.24 138.03 136.57 135.76 0.40 10 0 "[ . 1 . 2]"
105 . 1 4 ASN N 1 4 ASN CA 1 4 ASN C 1 5 TYR N 106.77 153.49 118.52 109.04 125.61 . . 0 "[ . 1 . 2]"
106 . 1 5 TYR N 1 5 TYR CA 1 5 TYR C 1 6 GLU N 109.86 156.34 133.13 111.47 144.95 . . 0 "[ . 1 . 2]"
107 . 1 6 GLU N 1 6 GLU CA 1 6 GLU C 1 7 THR N 115.79 172.35 142.43 135.29 154.65 . . 0 "[ . 1 . 2]"
108 . 1 7 THR N 1 7 THR CA 1 7 THR C 1 8 GLU N 111.15 -178.17 156.79 156.13 154.74 . . 0 "[ . 1 . 2]"
109 . 1 8 GLU N 1 8 GLU CA 1 8 GLU C 1 9 THR N 108.73 172.97 134.51 141.02 138.80 . . 0 "[ . 1 . 2]"
110 . 1 9 THR N 1 9 THR CA 1 9 THR C 1 10 THR N 101.00 170.52 143.70 137.60 157.83 . . 0 "[ . 1 . 2]"
111 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 SER N 115.98 176.34 147.22 147.13 146.20 . . 0 "[ . 1 . 2]"
112 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 VAL N 107.38 -171.46 145.58 138.66 134.96 . . 0 "[ . 1 . 2]"
113 . 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 PRO N 113.15 177.51 142.57 143.76 142.87 . . 0 "[ . 1 . 2]"
114 . 1 16 ALA N 1 16 ALA CA 1 16 ALA C 1 17 ARG N -48.83 -32.19 -48.59 -49.56 -44.08 0.73 10 0 "[ . 1 . 2]"
115 . 1 17 ARG N 1 17 ARG CA 1 17 ARG C 1 18 LEU N -55.82 -30.54 -41.43 -46.13 -37.38 . . 0 "[ . 1 . 2]"
116 . 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 PHE N -57.15 -18.31 -38.80 -47.34 -33.81 . . 0 "[ . 1 . 2]"
117 . 1 19 PHE N 1 19 PHE CA 1 19 PHE C 1 20 LYS N -57.98 -26.38 -44.28 -56.96 -36.34 . . 0 "[ . 1 . 2]"
118 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 ALA N -64.45 -17.17 -49.50 -63.04 -37.85 . . 0 "[ . 1 . 2]"
119 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 PHE N -72.81 -5.25 -38.31 -33.77 -35.71 . . 0 "[ . 1 . 2]"
120 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 ILE N -61.26 -23.42 -27.65 -26.75 -28.19 0.21 17 0 "[ . 1 . 2]"
121 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 LEU N -63.67 23.09 -62.81 -60.50 -62.18 0.50 10 0 "[ . 1 . 2]"
122 . 1 27 ASP N 1 27 ASP CA 1 27 ASP C 1 28 ASN N -56.48 -16.56 -37.90 -38.54 -40.41 . . 0 "[ . 1 . 2]"
123 . 1 28 ASN N 1 28 ASN CA 1 28 ASN C 1 29 LEU N -56.05 -28.05 -44.42 -49.75 -39.68 . . 0 "[ . 1 . 2]"
124 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 PHE N -64.14 -16.78 -32.34 -34.53 -35.40 . . 0 "[ . 1 . 2]"
125 . 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 PRO N -63.57 11.15 -63.53 -63.71 -63.75 0.44 5 0 "[ . 1 . 2]"
126 . 1 31 PRO N 1 31 PRO CA 1 31 PRO C 1 32 LYS N -49.67 -7.55 -39.82 -48.59 -32.92 . . 0 "[ . 1 . 2]"
127 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 VAL N -61.41 -11.01 -44.05 -47.65 -39.93 . . 0 "[ . 1 . 2]"
128 . 1 33 VAL N 1 33 VAL CA 1 33 VAL C 1 34 ALA N -37.74 19.74 -30.31 -23.33 -27.48 . . 0 "[ . 1 . 2]"
129 . 1 38 ILE N 1 38 ILE CA 1 38 ILE C 1 39 SER N 120.04 -178.52 120.73 120.11 120.03 0.33 11 0 "[ . 1 . 2]"
130 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 GLU N 110.56 152.56 137.49 134.84 134.51 . . 0 "[ . 1 . 2]"
131 . 1 42 GLU N 1 42 GLU CA 1 42 GLU C 1 43 ASN N 97.70 169.62 151.66 142.47 157.85 . . 0 "[ . 1 . 2]"
132 . 1 43 ASN N 1 43 ASN CA 1 43 ASN C 1 44 ILE N 105.59 147.95 107.87 109.59 107.52 0.19 19 0 "[ . 1 . 2]"
133 . 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 ILE N 116.23 141.03 137.21 137.81 137.48 . . 0 "[ . 1 . 2]"
134 . 1 53 ILE N 1 53 ILE CA 1 53 ILE C 1 54 LYS N 109.82 134.98 131.67 126.19 135.18 0.20 16 0 "[ . 1 . 2]"
135 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 LYS N 109.94 163.70 136.56 127.82 146.11 . . 0 "[ . 1 . 2]"
136 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 ILE N 111.78 142.90 129.86 121.48 137.10 . . 0 "[ . 1 . 2]"
137 . 1 56 ILE N 1 56 ILE CA 1 56 ILE C 1 57 SER N 111.18 147.30 135.45 131.11 129.50 . . 0 "[ . 1 . 2]"
138 . 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 PHE N 105.51 154.83 152.49 154.64 154.36 0.32 11 0 "[ . 1 . 2]"
139 . 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 PRO N 90.15 162.91 140.34 112.75 150.08 . . 0 "[ . 1 . 2]"
140 . 1 62 PHE N 1 62 PHE CA 1 62 PHE C 1 63 PRO N 111.33 175.89 167.62 155.41 173.59 . . 0 "[ . 1 . 2]"
141 . 1 64 PHE N 1 64 PHE CA 1 64 PHE C 1 65 LYS N 136.30 177.70 154.61 152.87 152.45 . . 0 "[ . 1 . 2]"
142 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 LYS N 140.08 171.00 152.61 157.49 154.00 . . 0 "[ . 1 . 2]"
143 . 1 68 LYS N 1 68 LYS CA 1 68 LYS C 1 69 ASP N 112.93 160.53 136.64 141.05 140.23 . . 0 "[ . 1 . 2]"
144 . 1 70 ARG N 1 70 ARG CA 1 70 ARG C 1 71 VAL N 115.40 162.76 150.51 146.16 145.86 . . 0 "[ . 1 . 2]"
145 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 ASP N 116.98 143.70 135.82 134.76 133.73 . . 0 "[ . 1 . 2]"
146 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 GLU N -48.67 -9.67 -47.07 -45.72 -47.07 0.26 3 0 "[ . 1 . 2]"
147 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 VAL N 114.06 167.74 146.75 147.32 144.48 . . 0 "[ . 1 . 2]"
148 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 ASP N 112.64 145.32 130.81 134.65 133.32 . . 0 "[ . 1 . 2]"
149 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 HIS N 62.07 -163.73 98.02 77.46 109.93 . . 0 "[ . 1 . 2]"
150 . 1 76 HIS N 1 76 HIS CA 1 76 HIS C 1 77 THR N -48.78 -12.78 -42.17 -38.73 -40.39 . . 0 "[ . 1 . 2]"
151 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 TYR N 114.02 165.82 130.35 133.82 133.22 . . 0 "[ . 1 . 2]"
152 . 1 81 TYR N 1 81 TYR CA 1 81 TYR C 1 82 ASN N 119.63 151.15 120.63 119.61 119.48 0.21 1 0 "[ . 1 . 2]"
153 . 1 82 ASN N 1 82 ASN CA 1 82 ASN C 1 83 TYR N 107.80 156.04 138.27 129.07 148.81 . . 0 "[ . 1 . 2]"
154 . 1 83 TYR N 1 83 TYR CA 1 83 TYR C 1 84 SER N 106.55 167.79 156.46 157.18 156.15 . . 0 "[ . 1 . 2]"
155 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 VAL N 100.21 168.77 157.83 157.35 156.60 . . 0 "[ . 1 . 2]"
156 . 1 91 ILE N 1 91 ILE CA 1 91 ILE C 1 92 GLY N 80.89 162.45 141.38 138.54 137.91 . . 0 "[ . 1 . 2]"
157 . 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 ILE N 132.41 174.21 132.95 132.02 137.64 0.39 20 0 "[ . 1 . 2]"
158 . 1 98 ILE N 1 98 ILE CA 1 98 ILE C 1 99 SER N 108.75 163.51 131.46 136.81 135.01 . . 0 "[ . 1 . 2]"
159 . 1 99 SER N 1 99 SER CA 1 99 SER C 1 100 ASN N 94.49 152.09 125.94 119.95 118.96 . . 0 "[ . 1 . 2]"
160 . 1 100 ASN N 1 100 ASN CA 1 100 ASN C 1 101 GLU N 106.80 160.40 141.34 132.70 151.86 . . 0 "[ . 1 . 2]"
161 . 1 101 GLU N 1 101 GLU CA 1 101 GLU C 1 102 ILE N 113.99 143.75 131.30 123.84 141.53 . . 0 "[ . 1 . 2]"
162 . 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 LYS N 114.14 137.62 135.77 137.43 136.87 0.27 17 0 "[ . 1 . 2]"
163 . 1 103 LYS N 1 103 LYS CA 1 103 LYS C 1 104 ILE N 110.50 155.22 127.94 130.08 129.47 . . 0 "[ . 1 . 2]"
164 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 VAL N 114.15 143.35 133.82 126.90 138.78 . . 0 "[ . 1 . 2]"
165 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C 1 106 ALA N 105.34 148.78 140.46 136.15 147.17 . . 0 "[ . 1 . 2]"
166 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 THR N 91.36 156.96 141.53 130.10 149.11 . . 0 "[ . 1 . 2]"
167 . 1 108 PRO N 1 108 PRO CA 1 108 PRO C 1 109 ASP N -52.28 -0.52 -22.89 -1.08 -1.48 0.19 7 0 "[ . 1 . 2]"
168 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 ILE N 128.51 177.07 148.44 139.85 157.77 . . 0 "[ . 1 . 2]"
169 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C 1 114 LEU N 105.76 165.20 133.96 122.77 147.93 . . 0 "[ . 1 . 2]"
170 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 LYS N 91.23 151.87 137.06 127.81 149.80 . . 0 "[ . 1 . 2]"
171 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C 1 116 ILE N 110.22 134.42 119.42 117.96 116.60 . . 0 "[ . 1 . 2]"
172 . 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 SER N 111.47 143.51 133.04 118.19 139.55 . . 0 "[ . 1 . 2]"
173 . 1 117 SER N 1 117 SER CA 1 117 SER C 1 118 ASN N 96.40 151.72 134.22 121.53 145.44 . . 0 "[ . 1 . 2]"
174 . 1 118 ASN N 1 118 ASN CA 1 118 ASN C 1 119 LYS N 110.59 172.83 140.32 139.36 137.86 . . 0 "[ . 1 . 2]"
175 . 1 119 LYS N 1 119 LYS CA 1 119 LYS C 1 120 TYR N 106.52 145.44 139.66 130.25 145.87 0.43 11 0 "[ . 1 . 2]"
176 . 1 120 TYR N 1 120 TYR CA 1 120 TYR C 1 121 HIS N 97.32 149.72 131.23 133.59 132.99 . . 0 "[ . 1 . 2]"
177 . 1 121 HIS N 1 121 HIS CA 1 121 HIS C 1 122 THR N 110.24 147.04 132.42 134.47 133.78 . . 0 "[ . 1 . 2]"
178 . 1 122 THR N 1 122 THR CA 1 122 THR C 1 123 LYS N 108.40 -177.80 138.73 137.35 145.12 . . 0 "[ . 1 . 2]"
179 . 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 ALA N 74.80 -170.64 144.38 145.36 143.67 . . 0 "[ . 1 . 2]"
180 . 1 130 ALA N 1 130 ALA CA 1 130 ALA C 1 131 GLU N -57.23 -14.47 -39.53 -44.41 -36.32 . . 0 "[ . 1 . 2]"
181 . 1 131 GLU N 1 131 GLU CA 1 131 GLU C 1 132 GLN N -49.48 -31.52 -42.62 -42.56 -42.87 . . 0 "[ . 1 . 2]"
182 . 1 132 GLN N 1 132 GLN CA 1 132 GLN C 1 133 VAL N -52.98 -19.06 -36.50 -38.17 -39.10 . . 0 "[ . 1 . 2]"
183 . 1 133 VAL N 1 133 VAL CA 1 133 VAL C 1 134 LYS N -51.30 -34.02 -38.19 -37.52 -38.49 0.46 8 0 "[ . 1 . 2]"
184 . 1 134 LYS N 1 134 LYS CA 1 134 LYS C 1 135 ALA N -57.24 -28.84 -41.91 -42.45 -43.97 . . 0 "[ . 1 . 2]"
185 . 1 135 ALA N 1 135 ALA CA 1 135 ALA C 1 136 SER N -50.70 -30.02 -46.63 -50.77 -42.33 0.07 5 0 "[ . 1 . 2]"
186 . 1 136 SER N 1 136 SER CA 1 136 SER C 1 137 LYS N -50.38 -33.18 -38.30 -45.75 -32.99 0.19 17 0 "[ . 1 . 2]"
187 . 1 137 LYS N 1 137 LYS CA 1 137 LYS C 1 138 GLU N -56.16 -32.00 -42.33 -49.14 -33.61 . . 0 "[ . 1 . 2]"
188 . 1 138 GLU N 1 138 GLU CA 1 138 GLU C 1 139 MET N -60.67 -17.83 -42.21 -47.94 -37.62 . . 0 "[ . 1 . 2]"
189 . 1 139 MET N 1 139 MET CA 1 139 MET C 1 140 GLY N -56.52 -24.32 -40.28 -40.35 -40.83 . . 0 "[ . 1 . 2]"
190 . 1 140 GLY N 1 140 GLY CA 1 140 GLY C 1 141 GLU N -52.94 -28.18 -42.78 -46.15 -37.90 . . 0 "[ . 1 . 2]"
191 . 1 141 GLU N 1 141 GLU CA 1 141 GLU C 1 142 THR N -49.32 -20.68 -33.03 -32.53 -32.69 . . 0 "[ . 1 . 2]"
192 . 1 142 THR N 1 142 THR CA 1 142 THR C 1 143 LEU N -52.78 -31.30 -31.51 -32.62 -30.83 0.47 11 0 "[ . 1 . 2]"
193 . 1 143 LEU N 1 143 LEU CA 1 143 LEU C 1 144 LEU N -52.71 -28.75 -47.36 -47.86 -48.78 . . 0 "[ . 1 . 2]"
194 . 1 144 LEU N 1 144 LEU CA 1 144 LEU C 1 145 ARG N -56.32 -25.56 -32.36 -34.52 -29.97 . . 0 "[ . 1 . 2]"
195 . 1 145 ARG N 1 145 ARG CA 1 145 ARG C 1 146 ALA N -58.52 -26.32 -41.84 -44.55 -45.19 . . 0 "[ . 1 . 2]"
196 . 1 146 ALA N 1 146 ALA CA 1 146 ALA C 1 147 VAL N -50.44 -26.08 -39.33 -43.82 -31.71 . . 0 "[ . 1 . 2]"
197 . 1 147 VAL N 1 147 VAL CA 1 147 VAL C 1 148 GLU N -48.54 -37.70 -47.70 -48.60 -48.63 0.19 13 0 "[ . 1 . 2]"
198 . 1 148 GLU N 1 148 GLU CA 1 148 GLU C 1 149 SER N -56.55 -34.11 -47.28 -54.99 -40.51 . . 0 "[ . 1 . 2]"
199 . 1 149 SER N 1 149 SER CA 1 149 SER C 1 150 TYR N -49.71 -33.35 -37.49 -33.90 -34.03 0.08 3 0 "[ . 1 . 2]"
200 . 1 150 TYR N 1 150 TYR CA 1 150 TYR C 1 151 LEU N -55.48 -31.92 -44.76 -41.33 -42.30 . . 0 "[ . 1 . 2]"
201 . 1 151 LEU N 1 151 LEU CA 1 151 LEU C 1 152 LEU N -51.20 -31.56 -37.63 -42.79 -32.98 . . 0 "[ . 1 . 2]"
202 . 1 152 LEU N 1 152 LEU CA 1 152 LEU C 1 153 ALA N -46.13 -8.49 -23.94 -30.07 -18.95 . . 0 "[ . 1 . 2]"
203 . 1 155 SER N 1 155 SER CA 1 155 SER C 1 156 ASP N -48.13 -10.09 -28.63 -33.14 -14.57 . . 0 "[ . 1 . 2]"
204 . 1 156 ASP N 1 156 ASP CA 1 156 ASP C 1 157 ALA N -20.24 18.08 -9.03 -20.26 18.33 0.25 18 0 "[ . 1 . 2]"
205 . 1 2 VAL N 1 2 VAL CA 1 2 VAL CB 1 2 VAL CG2 140.00 -140.00 -59.10 -54.88 -56.33 85.22 6 20 [*****+*********-****]
206 . 1 2 VAL C 1 2 VAL CA 1 2 VAL CB 1 2 VAL CG1 140.00 -140.00 60.92 62.51 62.17 85.67 16 20 [*****-*********+****]
207 . 1 133 VAL N 1 133 VAL CA 1 133 VAL CB 1 133 VAL CG2 140.00 -140.00 -57.88 -55.95 -56.29 86.56 20 20 [************-******+]
208 . 1 133 VAL C 1 133 VAL CA 1 133 VAL CB 1 133 VAL CG1 140.00 -140.00 62.10 64.07 63.63 85.95 13 20 [************+******-]
209 . 1 128 VAL C 1 128 VAL CA 1 128 VAL CB 1 128 VAL CG2 140.00 -140.00 -173.43 -173.55 -174.11 . . 0 "[ . 1 . 2]"
210 . 1 128 VAL N 1 128 VAL CA 1 128 VAL CB 1 128 VAL CG1 140.00 -140.00 -173.44 -173.51 -174.11 . . 0 "[ . 1 . 2]"
211 . 1 77 THR N 1 77 THR CA 1 77 THR CB 1 77 THR CG2 140.00 -140.00 -176.20 -174.18 -174.65 . . 0 "[ . 1 . 2]"
212 . 1 110 GLY C 1 111 GLY N 1 111 GLY CA 1 11 SER C -180.00 -20.00 -37.50 179.68 -19.81 0.32 18 0 "[ . 1 . 2]"
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