NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393052 |
1q80   |
4129 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1q80
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 231
_TA_constraint_stats_list.Viol_count 181
_TA_constraint_stats_list.Viol_total 327.51
_TA_constraint_stats_list.Viol_max 0.69
_TA_constraint_stats_list.Viol_rms 0.03
_TA_constraint_stats_list.Viol_average_all_restraints 0.00
_TA_constraint_stats_list.Viol_average_violations_only 0.11
_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 2 ASP C 1 3 LEU N 1 3 LEU CA 1 3 LEU C -80.00 -40.00 -60.29 -67.23 -51.12 . . 0 "[ . 1 . ]"
2 . 1 3 LEU C 1 4 TRP N 1 4 TRP CA 1 4 TRP C -80.00 -40.00 -62.87 -58.37 -59.68 . . 0 "[ . 1 . ]"
3 . 1 4 TRP C 1 5 VAL N 1 5 VAL CA 1 5 VAL C -80.00 -40.00 -59.26 -62.37 -55.69 . . 0 "[ . 1 . ]"
4 . 1 5 VAL C 1 6 GLN N 1 6 GLN CA 1 6 GLN C -80.00 -40.00 -62.38 -63.55 -64.25 . . 0 "[ . 1 . ]"
5 . 1 6 GLN C 1 7 LYS N 1 7 LYS CA 1 7 LYS C -80.00 -40.00 -62.83 -65.94 -66.96 . . 0 "[ . 1 . ]"
6 . 1 7 LYS C 1 8 MET N 1 8 MET CA 1 8 MET C -80.00 -40.00 -61.05 -64.46 -69.55 . . 0 "[ . 1 . ]"
7 . 1 8 MET C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -80.00 -40.00 -62.85 -61.18 -61.38 . . 0 "[ . 1 . ]"
8 . 1 9 LYS C 1 10 THR N 1 10 THR CA 1 10 THR C -80.00 -40.00 -55.89 -64.74 -52.03 . . 0 "[ . 1 . ]"
9 . 1 10 THR C 1 11 TYR N 1 11 TYR CA 1 11 TYR C -80.00 -40.00 -59.98 -65.31 -54.88 . . 0 "[ . 1 . ]"
10 . 1 11 TYR C 1 12 PHE N 1 12 PHE CA 1 12 PHE C -80.00 -40.00 -60.65 -66.82 -56.09 . . 0 "[ . 1 . ]"
11 . 1 12 PHE C 1 13 ASN N 1 13 ASN CA 1 13 ASN C -80.00 -40.00 -60.97 -59.06 -60.86 . . 0 "[ . 1 . ]"
12 . 1 13 ASN C 1 14 ARG N 1 14 ARG CA 1 14 ARG C -80.00 -40.00 -76.63 -79.19 -79.42 0.10 3 0 "[ . 1 . ]"
13 . 1 26 MET C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -90.00 -30.00 -61.65 -67.38 -56.09 . . 0 "[ . 1 . ]"
14 . 1 27 ASP C 1 28 PHE N 1 28 PHE CA 1 28 PHE C -80.00 -40.00 -64.25 -68.60 -60.44 . . 0 "[ . 1 . ]"
15 . 1 28 PHE C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -80.00 -40.00 -62.78 -64.68 -66.24 . . 0 "[ . 1 . ]"
16 . 1 29 GLU C 1 30 SER N 1 30 SER CA 1 30 SER C -80.00 -40.00 -61.23 -65.26 -56.15 . . 0 "[ . 1 . ]"
17 . 1 30 SER C 1 31 MET N 1 31 MET CA 1 31 MET C -80.00 -40.00 -56.95 -53.17 -54.71 . . 0 "[ . 1 . ]"
18 . 1 31 MET C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -80.00 -40.00 -58.13 -62.62 -52.79 . . 0 "[ . 1 . ]"
19 . 1 32 ALA C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -80.00 -40.00 -63.37 -62.78 -63.25 . . 0 "[ . 1 . ]"
20 . 1 33 GLU C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -80.00 -40.00 -62.17 -60.66 -63.97 . . 0 "[ . 1 . ]"
21 . 1 43 ALA C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -80.00 -40.00 -56.37 -77.55 -39.93 0.07 15 0 "[ . 1 . ]"
22 . 1 44 GLU C 1 45 HIS N 1 45 HIS CA 1 45 HIS C -80.00 -40.00 -55.54 -80.03 -39.79 0.21 10 0 "[ . 1 . ]"
23 . 1 45 HIS C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -80.00 -40.00 -57.08 -66.33 -49.25 . . 0 "[ . 1 . ]"
24 . 1 46 ALA C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -80.00 -40.00 -65.06 -63.69 -64.52 . . 0 "[ . 1 . ]"
25 . 1 47 LYS C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -80.00 -40.00 -55.03 -60.68 -47.85 . . 0 "[ . 1 . ]"
26 . 1 48 VAL C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -80.00 -40.00 -59.90 -67.60 -53.32 . . 0 "[ . 1 . ]"
27 . 1 49 LEU C 1 50 MET N 1 50 MET CA 1 50 MET C -80.00 -40.00 -61.70 -67.44 -52.95 . . 0 "[ . 1 . ]"
28 . 1 50 MET C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -80.00 -40.00 -59.61 -64.88 -67.80 . . 0 "[ . 1 . ]"
29 . 1 51 ASP C 1 52 SER N 1 52 SER CA 1 52 SER C -80.00 -40.00 -66.14 -72.69 -61.59 . . 0 "[ . 1 . ]"
30 . 1 52 SER C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -80.00 -40.00 -64.73 -69.18 -55.62 . . 0 "[ . 1 . ]"
31 . 1 53 LEU C 1 54 THR N 1 54 THR CA 1 54 THR C -80.00 -40.00 -63.88 -60.24 -60.60 . . 0 "[ . 1 . ]"
32 . 1 54 THR C 1 55 GLY N 1 55 GLY CA 1 55 GLY C -80.00 -40.00 -57.59 -58.53 -60.42 . . 0 "[ . 1 . ]"
33 . 1 55 GLY C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -80.00 -40.00 -55.44 -55.05 -55.28 . . 0 "[ . 1 . ]"
34 . 1 56 VAL C 1 57 TRP N 1 57 TRP CA 1 57 TRP C -80.00 -40.00 -71.45 -65.73 -67.07 0.12 15 0 "[ . 1 . ]"
35 . 1 57 TRP C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -80.00 -40.00 -50.29 -49.98 -52.15 . . 0 "[ . 1 . ]"
36 . 1 59 ASN C 1 60 PHE N 1 60 PHE CA 1 60 PHE C -150.00 -100.00 -126.20 -126.00 -126.92 . . 0 "[ . 1 . ]"
37 . 1 64 VAL C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -150.00 -100.00 -116.05 -136.76 -100.95 . . 0 "[ . 1 . ]"
38 . 1 71 ASP C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -80.00 -40.00 -58.74 -62.52 -51.77 . . 0 "[ . 1 . ]"
39 . 1 72 GLU C 1 73 THR N 1 73 THR CA 1 73 THR C -80.00 -40.00 -59.94 -57.95 -59.33 . . 0 "[ . 1 . ]"
40 . 1 73 THR C 1 74 THR N 1 74 THR CA 1 74 THR C -80.00 -40.00 -61.00 -60.81 -61.57 . . 0 "[ . 1 . ]"
41 . 1 74 THR C 1 75 PHE N 1 75 PHE CA 1 75 PHE C -80.00 -40.00 -62.58 -64.58 -59.88 . . 0 "[ . 1 . ]"
42 . 1 75 PHE C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -80.00 -40.00 -62.73 -57.88 -59.10 . . 0 "[ . 1 . ]"
43 . 1 76 ILE C 1 77 ASN N 1 77 ASN CA 1 77 ASN C -80.00 -40.00 -61.02 -57.78 -58.64 . . 0 "[ . 1 . ]"
44 . 1 77 ASN C 1 78 SER N 1 78 SER CA 1 78 SER C -80.00 -40.00 -62.69 -60.10 -63.14 . . 0 "[ . 1 . ]"
45 . 1 78 SER C 1 79 MET N 1 79 MET CA 1 79 MET C -80.00 -40.00 -65.23 -66.05 -69.89 . . 0 "[ . 1 . ]"
46 . 1 79 MET C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -80.00 -40.00 -51.28 -56.44 -59.68 . . 0 "[ . 1 . ]"
47 . 1 84 LYS C 1 85 ASN N 1 85 ASN CA 1 85 ASN C -100.00 -70.00 -82.92 -100.04 -69.81 0.19 13 0 "[ . 1 . ]"
48 . 1 85 ASN C 1 86 PRO N 1 86 PRO CA 1 86 PRO C -80.00 -40.00 -58.56 -57.72 -58.66 . . 0 "[ . 1 . ]"
49 . 1 88 ALA C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -80.00 -40.00 -45.06 -54.21 -39.97 0.03 6 0 "[ . 1 . ]"
50 . 1 89 LYS C 1 90 SER N 1 90 SER CA 1 90 SER C -80.00 -40.00 -56.53 -56.44 -57.74 . . 0 "[ . 1 . ]"
51 . 1 90 SER C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -80.00 -40.00 -69.26 -64.55 -66.84 . . 0 "[ . 1 . ]"
52 . 1 91 VAL C 1 92 VAL N 1 92 VAL CA 1 92 VAL C -110.00 -80.00 -86.85 -103.47 -79.92 0.08 3 0 "[ . 1 . ]"
53 . 1 92 VAL C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -90.00 -50.00 -77.32 -75.36 -77.84 0.12 15 0 "[ . 1 . ]"
54 . 1 97 PRO C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -80.00 -40.00 -70.94 -72.52 -77.82 0.08 6 0 "[ . 1 . ]"
55 . 1 98 LEU C 1 99 PHE N 1 99 PHE CA 1 99 PHE C -80.00 -40.00 -58.52 -59.91 -61.50 . . 0 "[ . 1 . ]"
56 . 1 99 PHE C 1 100 PHE N 1 100 PHE CA 1 100 PHE C -80.00 -40.00 -55.18 -57.45 -50.51 . . 0 "[ . 1 . ]"
57 . 1 100 PHE C 1 101 ARG N 1 101 ARG CA 1 101 ARG C -80.00 -40.00 -62.45 -64.57 -66.62 . . 0 "[ . 1 . ]"
58 . 1 101 ARG C 1 102 ALA N 1 102 ALA CA 1 102 ALA C -80.00 -40.00 -67.28 -66.23 -67.65 . . 0 "[ . 1 . ]"
59 . 1 102 ALA C 1 103 VAL N 1 103 VAL CA 1 103 VAL C -80.00 -40.00 -71.36 -80.00 -66.06 . . 0 "[ . 1 . ]"
60 . 1 112 SER C 1 113 ARG N 1 113 ARG CA 1 113 ARG C -80.00 -40.00 -52.47 -55.09 -57.15 . . 0 "[ . 1 . ]"
61 . 1 113 ARG C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -80.00 -40.00 -69.45 -69.14 -69.85 . . 0 "[ . 1 . ]"
62 . 1 114 ASP C 1 115 GLU N 1 115 GLU CA 1 115 GLU C -80.00 -40.00 -62.45 -63.25 -64.94 . . 0 "[ . 1 . ]"
63 . 1 115 GLU C 1 116 TYR N 1 116 TYR CA 1 116 TYR C -80.00 -40.00 -61.51 -65.68 -58.20 . . 0 "[ . 1 . ]"
64 . 1 116 TYR C 1 117 GLY N 1 117 GLY CA 1 117 GLY C -80.00 -40.00 -61.25 -61.99 -62.10 . . 0 "[ . 1 . ]"
65 . 1 117 GLY C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -80.00 -40.00 -62.04 -62.90 -63.77 . . 0 "[ . 1 . ]"
66 . 1 118 ILE C 1 119 PHE N 1 119 PHE CA 1 119 PHE C -80.00 -40.00 -54.79 -57.57 -52.54 . . 0 "[ . 1 . ]"
67 . 1 119 PHE C 1 120 PHE N 1 120 PHE CA 1 120 PHE C -80.00 -40.00 -56.95 -62.63 -51.24 . . 0 "[ . 1 . ]"
68 . 1 120 PHE C 1 121 GLY N 1 121 GLY CA 1 121 GLY C -80.00 -40.00 -55.89 -66.27 -52.78 . . 0 "[ . 1 . ]"
69 . 1 121 GLY C 1 122 MET N 1 122 MET CA 1 122 MET C -80.00 -40.00 -62.73 -66.95 -59.41 . . 0 "[ . 1 . ]"
70 . 1 126 ASP C 1 127 LYS N 1 127 LYS CA 1 127 LYS C -80.00 -40.00 -51.51 -60.98 -43.67 . . 0 "[ . 1 . ]"
71 . 1 127 LYS C 1 128 THR N 1 128 THR CA 1 128 THR C -80.00 -40.00 -58.06 -61.75 -52.20 . . 0 "[ . 1 . ]"
72 . 1 128 THR C 1 129 MET N 1 129 MET CA 1 129 MET C -90.00 -50.00 -75.20 -76.04 -77.52 . . 0 "[ . 1 . ]"
73 . 1 129 MET C 1 130 ALA N 1 130 ALA CA 1 130 ALA C -80.00 -40.00 -55.91 -65.51 -46.81 . . 0 "[ . 1 . ]"
74 . 1 130 ALA C 1 131 PRO N 1 131 PRO CA 1 131 PRO C -80.00 -40.00 -50.49 -57.38 -45.01 . . 0 "[ . 1 . ]"
75 . 1 131 PRO C 1 132 ALA N 1 132 ALA CA 1 132 ALA C -80.00 -40.00 -58.28 -63.69 -52.00 . . 0 "[ . 1 . ]"
76 . 1 132 ALA C 1 133 SER N 1 133 SER CA 1 133 SER C 90.00 -40.00 -73.41 -72.08 -78.13 . . 0 "[ . 1 . ]"
77 . 1 133 SER C 1 134 PHE N 1 134 PHE CA 1 134 PHE C -80.00 -40.00 -58.74 -64.56 -49.21 . . 0 "[ . 1 . ]"
78 . 1 134 PHE C 1 135 ASP N 1 135 ASP CA 1 135 ASP C -80.00 -40.00 -53.57 -53.67 -55.30 . . 0 "[ . 1 . ]"
79 . 1 135 ASP C 1 136 ALA N 1 136 ALA CA 1 136 ALA C -80.00 -40.00 -66.49 -68.81 -68.84 . . 0 "[ . 1 . ]"
80 . 1 136 ALA C 1 137 ILE N 1 137 ILE CA 1 137 ILE C -90.00 -50.00 -88.20 -90.19 -74.76 0.19 10 0 "[ . 1 . ]"
81 . 1 148 GLU C 1 149 GLU N 1 149 GLU CA 1 149 GLU C -80.00 -40.00 -62.05 -59.20 -59.50 . . 0 "[ . 1 . ]"
82 . 1 149 GLU C 1 150 PHE N 1 150 PHE CA 1 150 PHE C -80.00 -40.00 -60.66 -64.57 -57.48 . . 0 "[ . 1 . ]"
83 . 1 150 PHE C 1 151 VAL N 1 151 VAL CA 1 151 VAL C -80.00 -40.00 -64.30 -65.80 -66.98 . . 0 "[ . 1 . ]"
84 . 1 151 VAL C 1 152 ILE N 1 152 ILE CA 1 152 ILE C -80.00 -40.00 -60.97 -63.92 -57.59 . . 0 "[ . 1 . ]"
85 . 1 152 ILE C 1 153 ALA N 1 153 ALA CA 1 153 ALA C -80.00 -40.00 -57.82 -62.86 -51.30 . . 0 "[ . 1 . ]"
86 . 1 153 ALA C 1 154 GLY N 1 154 GLY CA 1 154 GLY C -80.00 -40.00 -64.65 -69.69 -61.58 . . 0 "[ . 1 . ]"
87 . 1 154 GLY C 1 155 SER N 1 155 SER CA 1 155 SER C -80.00 -40.00 -57.72 -64.57 -51.37 . . 0 "[ . 1 . ]"
88 . 1 155 SER C 1 156 ASP N 1 156 ASP CA 1 156 ASP C -80.00 -40.00 -61.03 -62.55 -64.74 . . 0 "[ . 1 . ]"
89 . 1 156 ASP C 1 157 PHE N 1 157 PHE CA 1 157 PHE C -80.00 -40.00 -53.30 -61.26 -45.88 . . 0 "[ . 1 . ]"
90 . 1 157 PHE C 1 158 PHE N 1 158 PHE CA 1 158 PHE C -80.00 -40.00 -71.76 -69.38 -71.25 . . 0 "[ . 1 . ]"
91 . 1 167 LYS C 1 168 VAL N 1 168 VAL CA 1 168 VAL C -130.00 -90.00 -99.62 -94.86 -100.13 0.24 6 0 "[ . 1 . ]"
92 . 1 169 PHE C 1 170 TRP N 1 170 TRP CA 1 170 TRP C -150.00 -100.00 -114.60 -129.05 -135.33 0.05 6 0 "[ . 1 . ]"
93 . 1 20 ASP C 1 21 GLY N 1 21 GLY CA 1 21 GLY C 50.00 100.00 98.01 87.76 100.17 0.17 15 0 "[ . 1 . ]"
94 . 1 21 GLY C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -160.00 -100.00 -135.21 -127.53 -133.17 . . 0 "[ . 1 . ]"
95 . 1 22 ALA C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -100.00 -60.00 -78.63 -74.18 -76.48 . . 0 "[ . 1 . ]"
96 . 1 23 ILE C 1 24 THR N 1 24 THR CA 1 24 THR C -150.00 -100.00 -139.50 -150.13 -124.44 0.13 4 0 "[ . 1 . ]"
97 . 1 69 GLY C 1 70 ILE N 1 70 ILE CA 1 70 ILE C -150.00 -100.00 -117.54 -118.62 -124.40 0.13 13 0 "[ . 1 . ]"
98 . 1 70 ILE C 1 71 ASP N 1 71 ASP CA 1 71 ASP C -100.00 -60.00 -75.01 -77.01 -77.40 . . 0 "[ . 1 . ]"
99 . 1 109 ASN C 1 110 ASN N 1 110 ASN CA 1 110 ASN C -150.00 -100.00 -140.46 -143.03 -144.61 . . 0 "[ . 1 . ]"
100 . 1 110 ASN C 1 111 ILE N 1 111 ILE CA 1 111 ILE C -150.00 -100.00 -101.51 -99.93 -99.95 0.16 11 0 "[ . 1 . ]"
101 . 1 111 ILE C 1 112 SER N 1 112 SER CA 1 112 SER C -100.00 -60.00 -89.95 -93.45 -94.46 0.05 16 0 "[ . 1 . ]"
102 . 1 143 GLY C 1 144 LEU N 1 144 LEU CA 1 144 LEU C -150.00 -100.00 -132.98 -132.15 -134.79 . . 0 "[ . 1 . ]"
103 . 1 144 LEU C 1 145 LEU N 1 145 LEU CA 1 145 LEU C -150.00 -100.00 -108.22 -99.92 -100.01 0.17 6 0 "[ . 1 . ]"
104 . 1 145 LEU C 1 146 SER N 1 146 SER CA 1 146 SER C -100.00 -60.00 -82.83 -84.49 -86.46 . . 0 "[ . 1 . ]"
105 . 1 3 LEU N 1 3 LEU CA 1 3 LEU C 1 4 TRP N -60.00 -20.00 -45.66 -56.24 -30.65 . . 0 "[ . 1 . ]"
106 . 1 4 TRP N 1 4 TRP CA 1 4 TRP C 1 5 VAL N -60.00 -20.00 -50.56 -47.33 -49.52 . . 0 "[ . 1 . ]"
107 . 1 5 VAL N 1 5 VAL CA 1 5 VAL C 1 6 GLN N -60.00 -20.00 -47.09 -59.14 -38.22 . . 0 "[ . 1 . ]"
108 . 1 6 GLN N 1 6 GLN CA 1 6 GLN C 1 7 LYS N -60.00 -20.00 -41.13 -46.49 -53.90 . . 0 "[ . 1 . ]"
109 . 1 7 LYS N 1 7 LYS CA 1 7 LYS C 1 8 MET N -60.00 -20.00 -50.61 -60.03 -41.85 0.03 12 0 "[ . 1 . ]"
110 . 1 8 MET N 1 8 MET CA 1 8 MET C 1 9 LYS N -60.00 -20.00 -41.47 -45.74 -33.80 . . 0 "[ . 1 . ]"
111 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 THR N -60.00 -20.00 -39.17 -46.20 -32.01 . . 0 "[ . 1 . ]"
112 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 TYR N -60.00 -20.00 -58.16 -60.28 -51.03 0.28 17 0 "[ . 1 . ]"
113 . 1 11 TYR N 1 11 TYR CA 1 11 TYR C 1 12 PHE N -60.00 -20.00 -42.62 -44.10 -45.31 . . 0 "[ . 1 . ]"
114 . 1 12 PHE N 1 12 PHE CA 1 12 PHE C 1 13 ASN N -60.00 -20.00 -55.23 -54.14 -54.71 0.07 7 0 "[ . 1 . ]"
115 . 1 13 ASN N 1 13 ASN CA 1 13 ASN C 1 14 ARG N -60.00 -20.00 -36.25 -45.55 -30.22 . . 0 "[ . 1 . ]"
116 . 1 14 ARG N 1 14 ARG CA 1 14 ARG C 1 15 ILE N -60.00 -20.00 -37.46 -37.38 -38.49 0.53 5 0 "[ . 1 . ]"
117 . 1 27 ASP N 1 27 ASP CA 1 27 ASP C 1 28 PHE N -70.00 -10.00 -47.51 -53.54 -43.87 . . 0 "[ . 1 . ]"
118 . 1 28 PHE N 1 28 PHE CA 1 28 PHE C 1 29 GLU N -60.00 -20.00 -45.33 -44.12 -45.57 . . 0 "[ . 1 . ]"
119 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 SER N -60.00 -20.00 -44.40 -45.64 -47.42 . . 0 "[ . 1 . ]"
120 . 1 30 SER N 1 30 SER CA 1 30 SER C 1 31 MET N -60.00 -20.00 -48.77 -55.60 -43.13 . . 0 "[ . 1 . ]"
121 . 1 31 MET N 1 31 MET CA 1 31 MET C 1 32 ALA N -60.00 -20.00 -46.78 -53.57 -38.36 . . 0 "[ . 1 . ]"
122 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 GLU N -60.00 -20.00 -50.68 -56.91 -59.43 . . 0 "[ . 1 . ]"
123 . 1 33 GLU N 1 33 GLU CA 1 33 GLU C 1 34 ARG N -60.00 -20.00 -47.27 -55.35 -37.71 . . 0 "[ . 1 . ]"
124 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 LYS N -60.00 -20.00 -38.93 -50.84 -26.30 . . 0 "[ . 1 . ]"
125 . 1 45 HIS N 1 45 HIS CA 1 45 HIS C 1 46 ALA N -60.00 -10.00 -24.91 -21.44 -23.65 0.20 6 0 "[ . 1 . ]"
126 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 LYS N -60.00 -20.00 -43.72 -47.78 -38.90 . . 0 "[ . 1 . ]"
127 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 VAL N -60.00 -20.00 -45.79 -48.09 -49.28 . . 0 "[ . 1 . ]"
128 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 LEU N -60.00 -20.00 -46.89 -48.24 -49.73 . . 0 "[ . 1 . ]"
129 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 MET N -60.00 -20.00 -50.05 -51.46 -58.18 . . 0 "[ . 1 . ]"
130 . 1 50 MET N 1 50 MET CA 1 50 MET C 1 51 ASP N -60.00 -20.00 -44.50 -52.95 -36.36 . . 0 "[ . 1 . ]"
131 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 SER N -60.00 -20.00 -48.91 -45.72 -46.54 0.06 3 0 "[ . 1 . ]"
132 . 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 LEU N -60.00 -20.00 -48.88 -60.00 -37.41 0.00 10 0 "[ . 1 . ]"
133 . 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 THR N -60.00 -20.00 -44.65 -52.07 -31.76 . . 0 "[ . 1 . ]"
134 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 GLY N -60.00 -20.00 -41.01 -37.03 -38.68 . . 0 "[ . 1 . ]"
135 . 1 55 GLY N 1 55 GLY CA 1 55 GLY C 1 56 VAL N -60.00 -20.00 -38.97 -40.16 -44.27 . . 0 "[ . 1 . ]"
136 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 TRP N -60.00 -20.00 -47.77 -47.17 -47.99 . . 0 "[ . 1 . ]"
137 . 1 57 TRP N 1 57 TRP CA 1 57 TRP C 1 58 ASP N -60.00 -20.00 -60.23 -60.15 -60.17 0.69 12 0 "[ . 1 . ]"
138 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 ASN N -60.00 -20.00 -44.52 -45.16 -45.75 . . 0 "[ . 1 . ]"
139 . 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 THR N -60.00 -20.00 -41.99 -51.60 -36.19 . . 0 "[ . 1 . ]"
140 . 1 73 THR N 1 73 THR CA 1 73 THR C 1 74 THR N -60.00 -20.00 -52.59 -54.09 -54.48 . . 0 "[ . 1 . ]"
141 . 1 74 THR N 1 74 THR CA 1 74 THR C 1 75 PHE N -60.00 -20.00 -42.85 -48.16 -37.77 . . 0 "[ . 1 . ]"
142 . 1 75 PHE N 1 75 PHE CA 1 75 PHE C 1 76 ILE N -60.00 -20.00 -51.76 -55.47 -47.08 . . 0 "[ . 1 . ]"
143 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 ASN N -60.00 -20.00 -49.50 -44.33 -47.12 . . 0 "[ . 1 . ]"
144 . 1 77 ASN N 1 77 ASN CA 1 77 ASN C 1 78 SER N -60.00 -20.00 -48.76 -51.18 -52.45 . . 0 "[ . 1 . ]"
145 . 1 78 SER N 1 78 SER CA 1 78 SER C 1 79 MET N -60.00 -20.00 -47.53 -50.99 -52.27 . . 0 "[ . 1 . ]"
146 . 1 79 MET N 1 79 MET CA 1 79 MET C 1 80 LYS N -60.00 -20.00 -45.52 -59.24 -30.66 . . 0 "[ . 1 . ]"
147 . 1 82 MET N 1 82 MET CA 1 82 MET C 1 83 VAL N -40.00 -10.00 -34.55 -40.35 -23.86 0.35 4 0 "[ . 1 . ]"
148 . 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 ASN N -50.00 -10.00 -35.23 -47.03 -10.54 . . 0 "[ . 1 . ]"
149 . 1 86 PRO N 1 86 PRO CA 1 86 PRO C 1 87 GLU N -60.00 -20.00 -22.49 -27.46 -19.82 0.18 17 0 "[ . 1 . ]"
150 . 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 SER N -60.00 -20.00 -42.61 -48.50 -52.38 . . 0 "[ . 1 . ]"
151 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 VAL N -60.00 -10.00 -27.34 -28.30 -29.46 0.14 5 0 "[ . 1 . ]"
152 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 VAL N -60.00 -20.00 -29.84 -36.98 -19.90 0.10 3 0 "[ . 1 . ]"
153 . 1 92 VAL N 1 92 VAL CA 1 92 VAL C 1 93 GLU N -60.00 -20.00 -40.30 -34.98 -36.63 . . 0 "[ . 1 . ]"
154 . 1 93 GLU N 1 93 GLU CA 1 93 GLU C 1 94 GLY N -60.00 -20.00 -36.67 -21.90 -29.97 . . 0 "[ . 1 . ]"
155 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 PRO N -60.00 -20.00 -51.58 -52.02 -53.26 0.05 15 0 "[ . 1 . ]"
156 . 1 97 PRO N 1 97 PRO CA 1 97 PRO C 1 98 LEU N -60.00 -20.00 -37.62 -51.63 -31.72 . . 0 "[ . 1 . ]"
157 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 PHE N -60.00 -20.00 -44.13 -53.96 -30.29 . . 0 "[ . 1 . ]"
158 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 PHE N -60.00 -20.00 -39.16 -46.85 -30.57 . . 0 "[ . 1 . ]"
159 . 1 100 PHE N 1 100 PHE CA 1 100 PHE C 1 101 ARG N -60.00 -20.00 -51.14 -51.76 -52.09 . . 0 "[ . 1 . ]"
160 . 1 101 ARG N 1 101 ARG CA 1 101 ARG C 1 102 ALA N -60.00 -20.00 -34.00 -46.45 -24.29 . . 0 "[ . 1 . ]"
161 . 1 102 ALA N 1 102 ALA CA 1 102 ALA C 1 103 VAL N -60.00 -20.00 -44.48 -46.52 -47.73 . . 0 "[ . 1 . ]"
162 . 1 103 VAL N 1 103 VAL CA 1 103 VAL C 1 104 ASP N -60.00 -20.00 -28.63 -45.37 -19.98 0.02 15 0 "[ . 1 . ]"
163 . 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 GLU N -60.00 -20.00 -41.01 -50.82 -26.51 . . 0 "[ . 1 . ]"
164 . 1 115 GLU N 1 115 GLU CA 1 115 GLU C 1 116 TYR N -60.00 -20.00 -45.59 -46.59 -47.59 . . 0 "[ . 1 . ]"
165 . 1 116 TYR N 1 116 TYR CA 1 116 TYR C 1 117 GLY N -60.00 -20.00 -40.61 -44.66 -36.93 . . 0 "[ . 1 . ]"
166 . 1 117 GLY N 1 117 GLY CA 1 117 GLY C 1 118 ILE N -60.00 -20.00 -44.87 -48.16 -42.52 . . 0 "[ . 1 . ]"
167 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 PHE N -60.00 -20.00 -43.95 -46.24 -40.50 . . 0 "[ . 1 . ]"
168 . 1 119 PHE N 1 119 PHE CA 1 119 PHE C 1 120 PHE N -60.00 -20.00 -51.14 -52.75 -53.10 . . 0 "[ . 1 . ]"
169 . 1 120 PHE N 1 120 PHE CA 1 120 PHE C 1 121 GLY N -60.00 -20.00 -48.52 -52.40 -35.12 . . 0 "[ . 1 . ]"
170 . 1 121 GLY N 1 121 GLY CA 1 121 GLY C 1 122 MET N -60.00 -20.00 -44.47 -44.15 -44.28 . . 0 "[ . 1 . ]"
171 . 1 122 MET N 1 122 MET CA 1 122 MET C 1 123 LEU N -60.00 -20.00 -42.30 -45.79 -31.52 . . 0 "[ . 1 . ]"
172 . 1 127 LYS N 1 127 LYS CA 1 127 LYS C 1 128 THR N -60.00 -20.00 -34.77 -26.86 -31.01 . . 0 "[ . 1 . ]"
173 . 1 128 THR N 1 128 THR CA 1 128 THR C 1 129 MET N -50.00 0.00 -23.96 -24.65 -26.26 . . 0 "[ . 1 . ]"
174 . 1 129 MET N 1 129 MET CA 1 129 MET C 1 130 ALA N -50.00 0.00 -27.10 -23.99 -26.71 . . 0 "[ . 1 . ]"
175 . 1 130 ALA N 1 130 ALA CA 1 130 ALA C 1 131 PRO N -60.00 -20.00 -47.67 -55.09 -40.30 . . 0 "[ . 1 . ]"
176 . 1 131 PRO N 1 131 PRO CA 1 131 PRO C 1 132 ALA N -60.00 -20.00 -44.54 -52.12 -40.90 . . 0 "[ . 1 . ]"
177 . 1 132 ALA N 1 132 ALA CA 1 132 ALA C 1 133 SER N -60.00 -20.00 -44.47 -37.19 -39.40 . . 0 "[ . 1 . ]"
178 . 1 133 SER N 1 133 SER CA 1 133 SER C 1 134 PHE N -60.00 -20.00 -39.57 -48.77 -49.26 . . 0 "[ . 1 . ]"
179 . 1 134 PHE N 1 134 PHE CA 1 134 PHE C 1 135 ASP N -60.00 -20.00 -49.22 -53.16 -56.18 . . 0 "[ . 1 . ]"
180 . 1 135 ASP N 1 135 ASP CA 1 135 ASP C 1 136 ALA N -60.00 -20.00 -37.01 -41.85 -29.56 . . 0 "[ . 1 . ]"
181 . 1 136 ALA N 1 136 ALA CA 1 136 ALA C 1 137 ILE N -60.00 -20.00 -30.42 -30.16 -32.74 . . 0 "[ . 1 . ]"
182 . 1 149 GLU N 1 149 GLU CA 1 149 GLU C 1 150 PHE N -60.00 -20.00 -49.25 -53.59 -44.94 . . 0 "[ . 1 . ]"
183 . 1 150 PHE N 1 150 PHE CA 1 150 PHE C 1 151 VAL N -60.00 -20.00 -46.79 -45.92 -46.87 . . 0 "[ . 1 . ]"
184 . 1 151 VAL N 1 151 VAL CA 1 151 VAL C 1 152 ILE N -60.00 -20.00 -43.11 -46.98 -37.23 . . 0 "[ . 1 . ]"
185 . 1 152 ILE N 1 152 ILE CA 1 152 ILE C 1 153 ALA N -60.00 -20.00 -55.09 -58.63 -48.93 . . 0 "[ . 1 . ]"
186 . 1 153 ALA N 1 153 ALA CA 1 153 ALA C 1 154 GLY N -60.00 -20.00 -43.69 -41.01 -44.25 . . 0 "[ . 1 . ]"
187 . 1 154 GLY N 1 154 GLY CA 1 154 GLY C 1 155 SER N -60.00 -20.00 -42.65 -44.31 -44.83 . . 0 "[ . 1 . ]"
188 . 1 155 SER N 1 155 SER CA 1 155 SER C 1 156 ASP N -60.00 -20.00 -46.43 -44.41 -45.02 . . 0 "[ . 1 . ]"
189 . 1 156 ASP N 1 156 ASP CA 1 156 ASP C 1 157 PHE N -60.00 -20.00 -47.81 -48.86 -51.34 . . 0 "[ . 1 . ]"
190 . 1 157 PHE N 1 157 PHE CA 1 157 PHE C 1 158 PHE N -60.00 -20.00 -51.05 -50.01 -50.59 0.04 15 0 "[ . 1 . ]"
191 . 1 158 PHE N 1 158 PHE CA 1 158 PHE C 1 159 MET N -60.00 -20.00 -39.98 -29.89 -31.69 . . 0 "[ . 1 . ]"
192 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ILE N 110.00 180.00 131.86 125.55 148.26 . . 0 "[ . 1 . ]"
193 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 THR N 110.00 180.00 118.85 116.76 114.38 0.08 17 0 "[ . 1 . ]"
194 . 1 24 THR N 1 24 THR CA 1 24 THR C 1 25 ARG N 110.00 180.00 174.20 166.64 -179.96 0.04 3 0 "[ . 1 . ]"
195 . 1 69 GLY N 1 69 GLY CA 1 69 GLY C 1 70 ILE N 110.00 180.00 151.17 109.77 -179.82 0.23 4 0 "[ . 1 . ]"
196 . 1 70 ILE N 1 70 ILE CA 1 70 ILE C 1 71 ASP N 110.00 180.00 113.33 109.88 118.79 0.12 2 0 "[ . 1 . ]"
197 . 1 71 ASP N 1 71 ASP CA 1 71 ASP C 1 72 GLU N 110.00 180.00 170.47 172.10 170.08 . . 0 "[ . 1 . ]"
198 . 1 110 ASN N 1 110 ASN CA 1 110 ASN C 1 111 ILE N 110.00 180.00 136.64 127.79 150.82 . . 0 "[ . 1 . ]"
199 . 1 111 ILE N 1 111 ILE CA 1 111 ILE C 1 112 SER N 110.00 180.00 122.35 109.93 131.83 0.07 7 0 "[ . 1 . ]"
200 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 ARG N 110.00 180.00 169.63 163.32 173.78 . . 0 "[ . 1 . ]"
201 . 1 144 LEU N 1 144 LEU CA 1 144 LEU C 1 145 LEU N 110.00 180.00 146.14 119.24 167.02 . . 0 "[ . 1 . ]"
202 . 1 145 LEU N 1 145 LEU CA 1 145 LEU C 1 146 SER N 110.00 180.00 112.76 115.33 114.42 0.22 8 0 "[ . 1 . ]"
203 . 1 146 SER N 1 146 SER CA 1 146 SER C 1 147 LEU N 110.00 180.00 174.31 174.46 172.07 . . 0 "[ . 1 . ]"
204 . 1 16 ASP C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -80.00 -40.00 -62.91 -68.38 -53.80 . . 0 "[ . 1 . ]"
205 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 ASP N -50.00 -10.00 -40.83 -27.93 -35.64 0.10 17 0 "[ . 1 . ]"
206 . 1 104 ASP C 1 105 THR N 1 105 THR CA 1 105 THR C -80.00 -40.00 -53.15 -52.02 -54.21 0.06 7 0 "[ . 1 . ]"
207 . 1 105 THR N 1 105 THR CA 1 105 THR C 1 106 ASN N -50.00 -10.00 -23.04 -44.60 -9.82 0.18 15 0 "[ . 1 . ]"
208 . 1 138 ASP C 1 139 THR N 1 139 THR CA 1 139 THR C -80.00 -40.00 -63.40 -69.73 -56.15 . . 0 "[ . 1 . ]"
209 . 1 24 THR C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -80.00 -40.00 -56.16 -64.00 -52.82 . . 0 "[ . 1 . ]"
210 . 1 113 ARG N 1 113 ARG CA 1 113 ARG C 1 114 ASP N -50.00 -10.00 -42.46 -48.62 -48.99 0.07 17 0 "[ . 1 . ]"
211 . 1 146 SER C 1 147 LEU N 1 147 LEU CA 1 147 LEU C -80.00 -40.00 -56.60 -55.93 -56.71 . . 0 "[ . 1 . ]"
212 . 1 18 ASP C 1 19 LYS N 1 19 LYS CA 1 19 LYS C 40.00 80.00 60.26 49.89 74.68 . . 0 "[ . 1 . ]"
213 . 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 ASP N 10.00 50.00 23.14 9.82 36.40 0.18 3 0 "[ . 1 . ]"
214 . 1 106 ASN C 1 107 GLU N 1 107 GLU CA 1 107 GLU C 40.00 80.00 70.32 71.09 69.31 0.09 3 0 "[ . 1 . ]"
215 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 ASP N 10.00 50.00 44.95 10.03 50.16 0.16 1 0 "[ . 1 . ]"
216 . 1 140 ASN C 1 141 ASN N 1 141 ASN CA 1 141 ASN C 40.00 80.00 66.37 45.77 75.66 . . 0 "[ . 1 . ]"
217 . 1 141 ASN N 1 141 ASN CA 1 141 ASN C 1 142 ASP N 10.00 50.00 27.78 46.48 42.79 0.15 2 0 "[ . 1 . ]"
218 . 1 21 GLY N 1 21 GLY CA 1 21 GLY C 1 22 ALA N -20.00 20.00 -0.20 -10.37 18.67 . . 0 "[ . 1 . ]"
219 . 1 142 ASP C 1 143 GLY N 1 143 GLY CA 1 143 GLY C 80.00 110.00 85.90 79.81 98.07 0.19 2 0 "[ . 1 . ]"
220 . 1 143 GLY N 1 143 GLY CA 1 143 GLY C 1 144 LEU N -20.00 20.00 15.09 -19.09 20.25 0.25 8 0 "[ . 1 . ]"
221 . 1 17 PHE C 1 18 ASP N 1 18 ASP CA 1 18 ASP C -110.00 -70.00 -73.57 -80.54 -69.91 0.09 3 0 "[ . 1 . ]"
222 . 1 18 ASP N 1 18 ASP CA 1 18 ASP C 1 19 LYS N -20.00 20.00 -8.39 -8.58 -11.26 . . 0 "[ . 1 . ]"
223 . 1 139 THR N 1 139 THR CA 1 139 THR C 1 140 ASN N -50.00 -10.00 -33.27 -38.62 -42.97 0.12 15 0 "[ . 1 . ]"
224 . 1 139 THR C 1 140 ASN N 1 140 ASN CA 1 140 ASN C -110.00 -70.00 -77.77 -73.47 -77.93 0.35 8 0 "[ . 1 . ]"
225 . 1 140 ASN N 1 140 ASN CA 1 140 ASN C 1 141 ASN N -20.00 20.00 -16.12 -20.18 -6.62 0.18 8 0 "[ . 1 . ]"
226 . 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 MET N -50.00 -10.00 -33.34 -33.61 -34.60 . . 0 "[ . 1 . ]"
227 . 1 25 ARG C 1 26 MET N 1 26 MET CA 1 26 MET C -80.00 -40.00 -57.54 -55.23 -55.33 . . 0 "[ . 1 . ]"
228 . 1 26 MET N 1 26 MET CA 1 26 MET C 1 27 ASP N -50.00 -10.00 -38.61 -42.83 -46.37 . . 0 "[ . 1 . ]"
229 . 1 147 LEU N 1 147 LEU CA 1 147 LEU C 1 148 GLU N -50.00 -10.00 -47.19 -48.25 -48.87 0.20 12 0 "[ . 1 . ]"
230 . 1 147 LEU C 1 148 GLU N 1 148 GLU CA 1 148 GLU C -80.00 -40.00 -55.36 -52.16 -53.25 . . 0 "[ . 1 . ]"
231 . 1 148 GLU N 1 148 GLU CA 1 148 GLU C 1 149 GLU N -50.00 -10.00 -47.82 -50.07 -40.33 0.07 11 0 "[ . 1 . ]"
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