NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
427659 |
2hqp   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2hqp
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 160
_TA_constraint_stats_list.Viol_count 265
_TA_constraint_stats_list.Viol_total 25108.82
_TA_constraint_stats_list.Viol_max 11.78
_TA_constraint_stats_list.Viol_rms 0.99
_TA_constraint_stats_list.Viol_average_all_restraints 0.15
_TA_constraint_stats_list.Viol_average_violations_only 2.96
_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 THR C 1 2 ALA N 1 2 ALA CA 1 2 ALA C -160.00 -80.00 -140.70 -152.10 -73.37 6.63 13 1 "[ . 1 + . 2 . 3 ]"
2 . 1 2 ALA C 1 3 PHE N 1 3 PHE CA 1 3 PHE C -140.00 -60.00 -113.03 -125.82 -106.89 . . 0 "[ . 1 . 2 . 3 ]"
3 . 1 8 ASP C 1 9 ARG N 1 9 ARG CA 1 9 ARG C -110.00 -10.00 -61.01 -61.78 -60.33 . . 0 "[ . 1 . 2 . 3 ]"
4 . 1 9 ARG C 1 10 ASP N 1 10 ASP CA 1 10 ASP C -161.00 -61.00 -61.72 -63.17 -64.36 2.21 22 0 "[ . 1 . 2 . 3 ]"
5 . 1 11 GLY C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -130.00 -50.00 -129.54 -130.40 -130.41 1.65 12 0 "[ . 1 . 2 . 3 ]"
6 . 1 12 LEU C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -150.00 -90.00 -114.58 -112.13 -112.80 . . 0 "[ . 1 . 2 . 3 ]"
7 . 1 29 TYR C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -99.00 -39.00 -61.16 -61.35 -61.41 . . 0 "[ . 1 . 2 . 3 ]"
8 . 1 33 GLN C 1 34 THR N 1 34 THR CA 1 34 THR C -160.00 -80.00 -77.68 -77.88 -78.00 3.81 17 0 "[ . 1 . 2 . 3 ]"
9 . 1 36 GLY C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -170.00 -110.00 -142.38 -141.90 -141.91 . . 0 "[ . 1 . 2 . 3 ]"
10 . 1 37 LYS C 1 38 ILE N 1 38 ILE CA 1 38 ILE C -150.00 -70.00 -102.31 -108.77 -88.35 . . 0 "[ . 1 . 2 . 3 ]"
11 . 1 38 ILE C 1 39 MET N 1 39 MET CA 1 39 MET C -143.00 -43.00 -128.66 -123.85 -125.14 . . 0 "[ . 1 . 2 . 3 ]"
12 . 1 39 MET C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -153.00 -93.00 -119.36 -118.16 -118.57 . . 0 "[ . 1 . 2 . 3 ]"
13 . 1 40 VAL C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -160.00 -80.00 -120.95 -122.86 -123.75 . . 0 "[ . 1 . 2 . 3 ]"
14 . 1 42 GLY C 1 43 ARG N 1 43 ARG CA 1 43 ARG C -99.00 -39.00 -61.40 -61.03 -61.10 . . 0 "[ . 1 . 2 . 3 ]"
15 . 1 43 ARG C 1 44 ARG N 1 44 ARG CA 1 44 ARG C -99.00 -39.00 -60.23 -60.23 -60.34 . . 0 "[ . 1 . 2 . 3 ]"
16 . 1 44 ARG C 1 45 THR N 1 45 THR CA 1 45 THR C -99.00 -39.00 -64.02 -64.95 -62.84 . . 0 "[ . 1 . 2 . 3 ]"
17 . 1 46 TYR C 1 47 GLU N 1 47 GLU CA 1 47 GLU C -105.00 -45.00 -55.51 -54.08 -55.00 . . 0 "[ . 1 . 2 . 3 ]"
18 . 1 47 GLU C 1 48 SER N 1 48 SER CA 1 48 SER C -99.00 -39.00 -87.07 -86.68 -87.46 0.59 13 0 "[ . 1 . 2 . 3 ]"
19 . 1 50 PRO C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -160.00 -80.00 -119.90 -122.74 -124.38 . . 0 "[ . 1 . 2 . 3 ]"
20 . 1 56 GLU C 1 57 ARG N 1 57 ARG CA 1 57 ARG C 169.00 -91.00 -140.91 -141.80 -143.88 . . 0 "[ . 1 . 2 . 3 ]"
21 . 1 57 ARG C 1 58 THR N 1 58 THR CA 1 58 THR C -148.00 -68.00 -80.17 -83.52 -87.36 0.22 32 0 "[ . 1 . 2 . 3 ]"
22 . 1 59 ASN C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -150.00 -90.00 -122.82 -126.98 -120.23 . . 0 "[ . 1 . 2 . 3 ]"
23 . 1 60 VAL C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -140.00 -60.00 -89.87 -110.67 -74.13 . . 0 "[ . 1 . 2 . 3 ]"
24 . 1 61 VAL C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -170.00 -70.00 -99.12 -102.60 -90.04 . . 0 "[ . 1 . 2 . 3 ]"
25 . 1 62 LEU C 1 63 THR N 1 63 THR CA 1 63 THR C -170.00 -70.00 -135.25 -138.12 -132.39 . . 0 "[ . 1 . 2 . 3 ]"
26 . 1 66 GLU C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -150.00 -70.00 -65.08 -67.40 -63.96 6.04 13 19 "[*-* .* ** *+ * * ** ** *****]"
27 . 1 67 ASP C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -130.00 -50.00 -61.35 -70.24 -58.09 . . 0 "[ . 1 . 2 . 3 ]"
28 . 1 68 TYR C 1 69 GLN N 1 69 GLN CA 1 69 GLN C -160.00 -80.00 -94.22 -101.55 -101.73 2.86 18 0 "[ . 1 . 2 . 3 ]"
29 . 1 70 ALA C 1 71 GLN N 1 71 GLN CA 1 71 GLN C -109.00 -29.00 -105.43 -110.92 -78.26 1.92 7 0 "[ . 1 . 2 . 3 ]"
30 . 1 72 GLY C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -160.00 -80.00 -148.31 -147.36 -147.80 . . 0 "[ . 1 . 2 . 3 ]"
31 . 1 73 ALA C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -160.00 -60.00 -63.21 -62.97 -63.13 . . 0 "[ . 1 . 2 . 3 ]"
32 . 1 75 VAL C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -160.00 -80.00 -125.28 -126.04 -126.42 . . 0 "[ . 1 . 2 . 3 ]"
33 . 1 77 HIS C 1 78 ASP N 1 78 ASP CA 1 78 ASP C -180.00 -100.00 -99.44 -100.36 -97.78 2.22 20 0 "[ . 1 . 2 . 3 ]"
34 . 1 78 ASP C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -90.00 -30.00 -63.26 -63.83 -62.40 . . 0 "[ . 1 . 2 . 3 ]"
35 . 1 79 VAL C 1 80 ALA N 1 80 ALA CA 1 80 ALA C -90.00 -30.00 -63.49 -62.81 -62.95 . . 0 "[ . 1 . 2 . 3 ]"
36 . 1 80 ALA C 1 81 ALA N 1 81 ALA CA 1 81 ALA C -90.00 -30.00 -63.14 -62.68 -62.77 . . 0 "[ . 1 . 2 . 3 ]"
37 . 1 81 ALA C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -90.00 -30.00 -62.71 -63.51 -61.94 . . 0 "[ . 1 . 2 . 3 ]"
38 . 1 82 VAL C 1 83 PHE N 1 83 PHE CA 1 83 PHE C -90.00 -30.00 -61.26 -61.78 -60.78 . . 0 "[ . 1 . 2 . 3 ]"
39 . 1 83 PHE C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -90.00 -30.00 -63.32 -63.48 -63.65 . . 0 "[ . 1 . 2 . 3 ]"
40 . 1 84 ALA C 1 85 TYR N 1 85 TYR CA 1 85 TYR C -100.00 -20.00 -60.49 -60.70 -60.72 . . 0 "[ . 1 . 2 . 3 ]"
41 . 1 85 TYR C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -99.00 -39.00 -63.64 -64.22 -62.44 . . 0 "[ . 1 . 2 . 3 ]"
42 . 1 86 ALA C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -99.00 -39.00 -62.54 -62.73 -62.80 . . 0 "[ . 1 . 2 . 3 ]"
43 . 1 88 GLN C 1 89 HIS N 1 89 HIS CA 1 89 HIS C -150.00 -90.00 -107.81 -117.41 -97.05 . . 0 "[ . 1 . 2 . 3 ]"
44 . 1 91 ASP C 1 92 GLN N 1 92 GLN CA 1 92 GLN C -160.00 -80.00 -83.59 -78.39 -78.56 3.11 29 0 "[ . 1 . 2 . 3 ]"
45 . 1 99 GLY C 1 100 ALA N 1 100 ALA CA 1 100 ALA C -100.00 -20.00 -63.38 -64.38 -62.39 . . 0 "[ . 1 . 2 . 3 ]"
46 . 1 102 ILE C 1 103 PHE N 1 103 PHE CA 1 103 PHE C -81.00 -21.00 -60.52 -61.17 -61.39 . . 0 "[ . 1 . 2 . 3 ]"
47 . 1 104 THR C 1 105 ALA N 1 105 ALA CA 1 105 ALA C -93.00 -33.00 -64.10 -64.84 -62.61 . . 0 "[ . 1 . 2 . 3 ]"
48 . 1 105 ALA C 1 106 PHE N 1 106 PHE CA 1 106 PHE C -160.00 -80.00 -103.83 -108.25 -97.41 . . 0 "[ . 1 . 2 . 3 ]"
49 . 1 106 PHE C 1 107 LYS N 1 107 LYS CA 1 107 LYS C -118.00 -38.00 -62.41 -64.33 -64.92 . . 0 "[ . 1 . 2 . 3 ]"
50 . 1 107 LYS C 1 108 ASP N 1 108 ASP CA 1 108 ASP C -123.00 -63.00 -71.82 -93.17 -63.38 . . 0 "[ . 1 . 2 . 3 ]"
51 . 1 108 ASP C 1 109 ASP N 1 109 ASP CA 1 109 ASP C -160.00 -80.00 -94.34 -107.66 -127.59 3.05 22 0 "[ . 1 . 2 . 3 ]"
52 . 1 109 ASP C 1 110 VAL N 1 110 VAL CA 1 110 VAL C -151.00 -71.00 -116.70 -119.16 -122.14 . . 0 "[ . 1 . 2 . 3 ]"
53 . 1 111 ASP C 1 112 THR N 1 112 THR CA 1 112 THR C -160.00 -80.00 -123.44 -125.93 -126.89 . . 0 "[ . 1 . 2 . 3 ]"
54 . 1 112 THR C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -150.00 -90.00 -116.06 -116.60 -117.07 . . 0 "[ . 1 . 2 . 3 ]"
55 . 1 116 THR C 1 117 ARG N 1 117 ARG CA 1 117 ARG C -160.00 -80.00 -111.72 -127.53 -103.72 . . 0 "[ . 1 . 2 . 3 ]"
56 . 1 117 ARG C 1 118 LEU N 1 118 LEU CA 1 118 LEU C -133.00 -53.00 -108.37 -122.59 -104.03 . . 0 "[ . 1 . 2 . 3 ]"
57 . 1 120 GLY C 1 121 SER N 1 121 SER CA 1 121 SER C -140.00 -60.00 -122.07 -135.37 -135.83 . . 0 "[ . 1 . 2 . 3 ]"
58 . 1 121 SER C 1 122 PHE N 1 122 PHE CA 1 122 PHE C -150.00 -90.00 -140.75 -130.15 -130.64 0.61 16 0 "[ . 1 . 2 . 3 ]"
59 . 1 124 GLY C 1 125 ASP N 1 125 ASP CA 1 125 ASP C -150.00 -90.00 -92.23 -97.32 -88.56 1.44 18 0 "[ . 1 . 2 . 3 ]"
60 . 1 125 ASP C 1 126 THR N 1 126 THR CA 1 126 THR C -160.00 -60.00 -116.23 -114.47 -114.84 . . 0 "[ . 1 . 2 . 3 ]"
61 . 1 127 LYS C 1 128 MET N 1 128 MET CA 1 128 MET C -130.00 -50.00 -75.65 -75.30 -75.47 . . 0 "[ . 1 . 2 . 3 ]"
62 . 1 128 MET C 1 129 ILE N 1 129 ILE CA 1 129 ILE C -100.00 -20.00 -70.92 -71.37 -72.20 . . 0 "[ . 1 . 2 . 3 ]"
63 . 1 130 PRO C 1 131 LEU N 1 131 LEU CA 1 131 LEU C -140.00 -60.00 -107.76 -107.73 -107.85 . . 0 "[ . 1 . 2 . 3 ]"
64 . 1 131 LEU C 1 132 ASN N 1 132 ASN CA 1 132 ASN C -140.00 -60.00 -88.12 -86.67 -86.72 . . 0 "[ . 1 . 2 . 3 ]"
65 . 1 132 ASN C 1 133 TRP N 1 133 TRP CA 1 133 TRP C -90.00 -30.00 -60.12 -60.19 -60.31 . . 0 "[ . 1 . 2 . 3 ]"
66 . 1 133 TRP C 1 134 ASP N 1 134 ASP CA 1 134 ASP C -105.00 -45.00 -64.87 -64.77 -64.87 . . 0 "[ . 1 . 2 . 3 ]"
67 . 1 135 ASP C 1 136 PHE N 1 136 PHE CA 1 136 PHE C -170.00 -70.00 -136.24 -147.40 -129.42 . . 0 "[ . 1 . 2 . 3 ]"
68 . 1 136 PHE C 1 137 THR N 1 137 THR CA 1 137 THR C -160.00 -80.00 -123.89 -132.86 -116.82 . . 0 "[ . 1 . 2 . 3 ]"
69 . 1 140 SER C 1 141 SER N 1 141 SER CA 1 141 SER C -170.00 -110.00 -134.65 -153.82 -132.44 . . 0 "[ . 1 . 2 . 3 ]"
70 . 1 142 ARG C 1 143 THR N 1 143 THR CA 1 143 THR C -140.00 -40.00 -119.26 -117.43 -117.88 . . 0 "[ . 1 . 2 . 3 ]"
71 . 1 143 THR C 1 144 VAL N 1 144 VAL CA 1 144 VAL C -170.00 -110.00 -119.32 -119.51 -119.99 . . 0 "[ . 1 . 2 . 3 ]"
72 . 1 144 VAL C 1 145 GLU N 1 145 GLU CA 1 145 GLU C -150.00 -90.00 -116.83 -121.03 -110.96 . . 0 "[ . 1 . 2 . 3 ]"
73 . 1 145 GLU C 1 146 ASP N 1 146 ASP CA 1 146 ASP C -160.00 -80.00 -142.02 -153.91 -87.00 . . 0 "[ . 1 . 2 . 3 ]"
74 . 1 146 ASP C 1 147 THR N 1 147 THR CA 1 147 THR C -118.00 -38.00 -62.38 -63.13 -61.49 . . 0 "[ . 1 . 2 . 3 ]"
75 . 1 147 THR C 1 148 ASN N 1 148 ASN CA 1 148 ASN C -140.00 -40.00 -88.63 -100.96 -83.35 . . 0 "[ . 1 . 2 . 3 ]"
76 . 1 149 PRO C 1 150 ALA N 1 150 ALA CA 1 150 ALA C -99.00 -39.00 -64.30 -64.75 -64.88 . . 0 "[ . 1 . 2 . 3 ]"
77 . 1 152 THR C 1 153 HIS N 1 153 HIS CA 1 153 HIS C -180.00 -60.00 -149.93 -152.12 -146.14 . . 0 "[ . 1 . 2 . 3 ]"
78 . 1 153 HIS C 1 154 THR N 1 154 THR CA 1 154 THR C -150.00 -90.00 -119.23 -118.97 -119.17 . . 0 "[ . 1 . 2 . 3 ]"
79 . 1 158 TRP C 1 159 GLN N 1 159 GLN CA 1 159 GLN C -150.00 -90.00 -139.95 -142.44 -135.16 . . 0 "[ . 1 . 2 . 3 ]"
80 . 1 160 LYS C 1 161 LYS N 1 161 LYS CA 1 161 LYS C -180.00 -60.00 -95.82 -68.84 -118.75 . . 0 "[ . 1 . 2 . 3 ]"
81 . 1 2 ALA N 1 2 ALA CA 1 2 ALA C 1 3 PHE N 95.00 175.00 147.80 149.74 148.03 . . 0 "[ . 1 . 2 . 3 ]"
82 . 1 3 PHE N 1 3 PHE CA 1 3 PHE C 1 4 LEU N 70.00 170.00 129.57 125.34 125.02 . . 0 "[ . 1 . 2 . 3 ]"
83 . 1 7 GLN N 1 7 GLN CA 1 7 GLN C 1 8 ASP N 100.00 180.00 151.73 150.16 153.75 . . 0 "[ . 1 . 2 . 3 ]"
84 . 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 ASP N -80.00 20.00 -41.81 -41.61 -41.79 . . 0 "[ . 1 . 2 . 3 ]"
85 . 1 10 ASP N 1 10 ASP CA 1 10 ASP C 1 11 GLY N -68.00 32.00 -33.25 -45.26 -20.17 . . 0 "[ . 1 . 2 . 3 ]"
86 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 ILE N 85.00 -175.00 142.98 131.58 167.76 . . 0 "[ . 1 . 2 . 3 ]"
87 . 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 GLY N -68.00 32.00 -29.61 -45.90 -0.56 . . 0 "[ . 1 . 2 . 3 ]"
88 . 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 ARG N -100.00 -20.00 -46.06 -47.13 -44.85 . . 0 "[ . 1 . 2 . 3 ]"
89 . 1 34 THR N 1 34 THR CA 1 34 THR C 1 35 VAL N -37.00 43.00 2.18 2.27 2.19 . . 0 "[ . 1 . 2 . 3 ]"
90 . 1 38 ILE N 1 38 ILE CA 1 38 ILE C 1 39 MET N 77.00 157.00 128.25 127.69 127.48 . . 0 "[ . 1 . 2 . 3 ]"
91 . 1 39 MET N 1 39 MET CA 1 39 MET C 1 40 VAL N 70.00 170.00 149.05 148.51 148.38 . . 0 "[ . 1 . 2 . 3 ]"
92 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 VAL N 80.00 160.00 129.83 128.61 131.30 . . 0 "[ . 1 . 2 . 3 ]"
93 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 GLY N 115.00 -165.00 131.18 130.10 132.46 . . 0 "[ . 1 . 2 . 3 ]"
94 . 1 43 ARG N 1 43 ARG CA 1 43 ARG C 1 44 ARG N -79.00 1.00 -43.42 -44.99 -42.68 . . 0 "[ . 1 . 2 . 3 ]"
95 . 1 44 ARG N 1 44 ARG CA 1 44 ARG C 1 45 THR N -90.00 -30.00 -37.22 -39.94 -35.66 . . 0 "[ . 1 . 2 . 3 ]"
96 . 1 45 THR N 1 45 THR CA 1 45 THR C 1 46 TYR N -90.00 -10.00 -44.85 -45.27 -45.40 . . 0 "[ . 1 . 2 . 3 ]"
97 . 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 SER N -70.00 10.00 -26.60 -34.29 -20.87 . . 0 "[ . 1 . 2 . 3 ]"
98 . 1 48 SER N 1 48 SER CA 1 48 SER C 1 49 PHE N -70.00 10.00 -27.87 -41.24 8.14 . . 0 "[ . 1 . 2 . 3 ]"
99 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 ARG N 70.00 170.00 80.74 71.84 70.51 0.31 18 0 "[ . 1 . 2 . 3 ]"
100 . 1 57 ARG N 1 57 ARG CA 1 57 ARG C 1 58 THR N 111.00 -169.00 147.80 141.52 141.40 . . 0 "[ . 1 . 2 . 3 ]"
101 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 ASN N 80.00 160.00 80.32 79.30 79.07 3.08 23 0 "[ . 1 . 2 . 3 ]"
102 . 1 59 ASN N 1 59 ASN CA 1 59 ASN C 1 60 VAL N 80.00 160.00 142.78 140.98 162.96 2.96 5 0 "[ . 1 . 2 . 3 ]"
103 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 VAL N 80.00 160.00 129.70 129.34 129.25 . . 0 "[ . 1 . 2 . 3 ]"
104 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 LEU N 100.00 180.00 130.22 130.05 129.53 . . 0 "[ . 1 . 2 . 3 ]"
105 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 THR N 80.00 160.00 125.07 123.35 129.27 . . 0 "[ . 1 . 2 . 3 ]"
106 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 TYR N -50.00 70.00 -32.02 -35.06 -22.54 . . 0 "[ . 1 . 2 . 3 ]"
107 . 1 69 GLN N 1 69 GLN CA 1 69 GLN C 1 70 ALA N 70.00 170.00 136.59 135.88 135.74 . . 0 "[ . 1 . 2 . 3 ]"
108 . 1 71 GLN N 1 71 GLN CA 1 71 GLN C 1 72 GLY N 80.00 160.00 130.06 124.89 134.81 . . 0 "[ . 1 . 2 . 3 ]"
109 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 VAL N 95.00 175.00 141.95 139.42 143.65 . . 0 "[ . 1 . 2 . 3 ]"
110 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 VAL N 83.00 163.00 138.66 136.85 141.25 . . 0 "[ . 1 . 2 . 3 ]"
111 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 HIS N 107.00 -173.00 130.18 127.54 132.01 . . 0 "[ . 1 . 2 . 3 ]"
112 . 1 80 ALA N 1 80 ALA CA 1 80 ALA C 1 81 ALA N -75.00 -15.00 -37.55 -37.22 -37.31 . . 0 "[ . 1 . 2 . 3 ]"
113 . 1 81 ALA N 1 81 ALA CA 1 81 ALA C 1 82 VAL N -75.00 -15.00 -38.19 -38.42 -38.53 . . 0 "[ . 1 . 2 . 3 ]"
114 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 PHE N -81.00 -21.00 -43.90 -44.11 -44.19 . . 0 "[ . 1 . 2 . 3 ]"
115 . 1 83 PHE N 1 83 PHE CA 1 83 PHE C 1 84 ALA N -81.00 -21.00 -45.89 -45.19 -45.29 . . 0 "[ . 1 . 2 . 3 ]"
116 . 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 TYR N -75.00 -15.00 -37.85 -38.88 -37.07 . . 0 "[ . 1 . 2 . 3 ]"
117 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 LYS N -75.00 -15.00 -37.66 -38.15 -38.89 . . 0 "[ . 1 . 2 . 3 ]"
118 . 1 87 LYS N 1 87 LYS CA 1 87 LYS C 1 88 GLN N -91.00 -11.00 -38.44 -37.23 -37.56 . . 0 "[ . 1 . 2 . 3 ]"
119 . 1 88 GLN N 1 88 GLN CA 1 88 GLN C 1 89 HIS N -65.00 35.00 -39.30 -40.26 -38.09 . . 0 "[ . 1 . 2 . 3 ]"
120 . 1 91 ASP N 1 91 ASP CA 1 91 ASP C 1 92 GLN N -64.00 16.00 -35.03 -35.02 -35.05 . . 0 "[ . 1 . 2 . 3 ]"
121 . 1 92 GLN N 1 92 GLN CA 1 92 GLN C 1 93 GLU N 100.00 180.00 134.19 135.17 134.75 . . 0 "[ . 1 . 2 . 3 ]"
122 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 VAL N 80.00 160.00 126.30 126.58 126.25 . . 0 "[ . 1 . 2 . 3 ]"
123 . 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 ILE N 80.00 160.00 130.77 130.69 130.53 . . 0 "[ . 1 . 2 . 3 ]"
124 . 1 100 ALA N 1 100 ALA CA 1 100 ALA C 1 101 GLN N -76.00 4.00 -37.68 -37.69 -37.77 . . 0 "[ . 1 . 2 . 3 ]"
125 . 1 103 PHE N 1 103 PHE CA 1 103 PHE C 1 104 THR N -100.00 -20.00 -46.34 -47.64 -44.98 . . 0 "[ . 1 . 2 . 3 ]"
126 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 ALA N -69.00 -9.00 -45.61 -46.93 -43.40 . . 0 "[ . 1 . 2 . 3 ]"
127 . 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 PHE N -75.00 -15.00 -37.70 -37.66 -37.71 . . 0 "[ . 1 . 2 . 3 ]"
128 . 1 106 PHE N 1 106 PHE CA 1 106 PHE C 1 107 LYS N -28.00 52.00 12.01 7.39 6.86 . . 0 "[ . 1 . 2 . 3 ]"
129 . 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 ASP N -80.00 20.00 -41.68 -45.35 -35.30 . . 0 "[ . 1 . 2 . 3 ]"
130 . 1 109 ASP N 1 109 ASP CA 1 109 ASP C 1 110 VAL N -17.00 83.00 14.16 -5.96 85.77 2.77 11 0 "[ . 1 . 2 . 3 ]"
131 . 1 110 VAL N 1 110 VAL CA 1 110 VAL C 1 111 ASP N 110.00 170.00 126.80 116.32 129.87 . . 0 "[ . 1 . 2 . 3 ]"
132 . 1 112 THR N 1 112 THR CA 1 112 THR C 1 113 LEU N 107.00 -173.00 129.89 126.39 148.60 . . 0 "[ . 1 . 2 . 3 ]"
133 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 LEU N 70.00 170.00 127.82 128.16 127.90 . . 0 "[ . 1 . 2 . 3 ]"
134 . 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 THR N 90.00 -170.00 130.85 130.73 130.61 . . 0 "[ . 1 . 2 . 3 ]"
135 . 1 117 ARG N 1 117 ARG CA 1 117 ARG C 1 118 LEU N 95.00 175.00 135.36 131.56 141.91 . . 0 "[ . 1 . 2 . 3 ]"
136 . 1 118 LEU N 1 118 LEU CA 1 118 LEU C 1 119 ALA N 94.00 -166.00 129.41 130.74 130.37 . . 0 "[ . 1 . 2 . 3 ]"
137 . 1 122 PHE N 1 122 PHE CA 1 122 PHE C 1 123 GLU N 80.00 160.00 155.17 147.48 161.24 1.24 16 0 "[ . 1 . 2 . 3 ]"
138 . 1 125 ASP N 1 125 ASP CA 1 125 ASP C 1 126 THR N -70.00 10.00 0.24 0.74 0.46 . . 0 "[ . 1 . 2 . 3 ]"
139 . 1 127 LYS N 1 127 LYS CA 1 127 LYS C 1 128 MET N 100.00 180.00 142.06 142.52 142.43 . . 0 "[ . 1 . 2 . 3 ]"
140 . 1 131 LEU N 1 131 LEU CA 1 131 LEU C 1 132 ASN N 123.00 -177.00 128.77 129.41 129.15 . . 0 "[ . 1 . 2 . 3 ]"
141 . 1 132 ASN N 1 132 ASN CA 1 132 ASN C 1 133 TRP N 62.00 162.00 106.84 107.34 107.01 . . 0 "[ . 1 . 2 . 3 ]"
142 . 1 133 TRP N 1 133 TRP CA 1 133 TRP C 1 134 ASP N -70.00 10.00 -39.81 -39.38 -39.46 . . 0 "[ . 1 . 2 . 3 ]"
143 . 1 134 ASP N 1 134 ASP CA 1 134 ASP C 1 135 ASP N -70.00 10.00 -35.42 -36.27 -34.55 . . 0 "[ . 1 . 2 . 3 ]"
144 . 1 136 PHE N 1 136 PHE CA 1 136 PHE C 1 137 THR N 100.00 180.00 151.74 156.10 155.06 . . 0 "[ . 1 . 2 . 3 ]"
145 . 1 137 THR N 1 137 THR CA 1 137 THR C 1 138 LYS N 100.00 180.00 140.58 156.76 156.41 . . 0 "[ . 1 . 2 . 3 ]"
146 . 1 139 VAL N 1 139 VAL CA 1 139 VAL C 1 140 SER N -100.00 -20.00 -43.19 -43.06 -43.11 . . 0 "[ . 1 . 2 . 3 ]"
147 . 1 140 SER N 1 140 SER CA 1 140 SER C 1 141 SER N 118.00 -162.00 164.89 165.06 164.55 . . 0 "[ . 1 . 2 . 3 ]"
148 . 1 141 SER N 1 141 SER CA 1 141 SER C 1 142 ARG N 80.00 160.00 149.58 149.80 149.61 0.49 3 0 "[ . 1 . 2 . 3 ]"
149 . 1 144 VAL N 1 144 VAL CA 1 144 VAL C 1 145 GLU N 100.00 180.00 129.68 128.57 131.05 . . 0 "[ . 1 . 2 . 3 ]"
150 . 1 145 GLU N 1 145 GLU CA 1 145 GLU C 1 146 ASP N 80.00 160.00 138.77 136.55 122.15 . . 0 "[ . 1 . 2 . 3 ]"
151 . 1 146 ASP N 1 146 ASP CA 1 146 ASP C 1 147 THR N 80.00 -160.00 171.66 168.34 157.01 . . 0 "[ . 1 . 2 . 3 ]"
152 . 1 147 THR N 1 147 THR CA 1 147 THR C 1 148 ASN N -75.00 -15.00 -45.47 -46.85 -44.76 . . 0 "[ . 1 . 2 . 3 ]"
153 . 1 148 ASN N 1 148 ASN CA 1 148 ASN C 1 149 PRO N 100.00 180.00 132.12 124.86 144.47 . . 0 "[ . 1 . 2 . 3 ]"
154 . 1 150 ALA N 1 150 ALA CA 1 150 ALA C 1 151 LEU N -61.00 19.00 -37.81 -37.69 -37.81 . . 0 "[ . 1 . 2 . 3 ]"
155 . 1 151 LEU N 1 151 LEU CA 1 151 LEU C 1 152 THR N -27.00 33.00 -37.86 -37.82 -37.88 11.78 24 32 [***********************+*****-**]
156 . 1 152 THR N 1 152 THR CA 1 152 THR C 1 153 HIS N 80.00 160.00 135.96 136.54 136.37 . . 0 "[ . 1 . 2 . 3 ]"
157 . 1 153 HIS N 1 153 HIS CA 1 153 HIS C 1 154 THR N 115.00 -165.00 162.63 160.69 164.17 . . 0 "[ . 1 . 2 . 3 ]"
158 . 1 154 THR N 1 154 THR CA 1 154 THR C 1 155 TYR N 80.00 160.00 128.39 127.81 127.58 . . 0 "[ . 1 . 2 . 3 ]"
159 . 1 159 GLN N 1 159 GLN CA 1 159 GLN C 1 160 LYS N 100.00 180.00 154.78 154.14 153.86 . . 0 "[ . 1 . 2 . 3 ]"
160 . 1 161 LYS N 1 161 LYS CA 1 161 LYS C 1 162 ALA N 90.00 -170.00 137.26 134.14 140.64 . . 0 "[ . 1 . 2 . 3 ]"
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