NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484502 |
2htf   |
7259 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2htf
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 146
_TA_constraint_stats_list.Viol_count 171
_TA_constraint_stats_list.Viol_total 11205.29
_TA_constraint_stats_list.Viol_max 142.81
_TA_constraint_stats_list.Viol_rms 6.03
_TA_constraint_stats_list.Viol_average_all_restraints 0.63
_TA_constraint_stats_list.Viol_average_violations_only 5.96
_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 GLY C 1 2 THR N 1 2 THR CA 1 2 THR C -138.25 -64.89 -94.38 -136.51 44.93 109.82 1 1 "[+ . 1 ]"
2 . 1 2 THR N 1 2 THR CA 1 2 THR C 1 3 PRO N 96.51 167.47 122.54 118.51 48.02 48.49 1 1 "[+ . 1 ]"
3 . 1 2 THR C 1 3 PRO N 1 3 PRO CA 1 3 PRO C -101.41 -33.89 -57.34 -67.12 -43.72 . . 0 "[ . 1 ]"
4 . 1 3 PRO N 1 3 PRO CA 1 3 PRO C 1 4 PRO N 111.15 170.31 144.42 128.74 -46.88 142.81 1 1 "[+ . 1 ]"
5 . 1 10 GLY C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -125.74 -69.46 -103.13 -80.05 -87.24 0.73 10 0 "[ . 1 ]"
6 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 ALA N 108.12 159.60 111.54 135.72 115.97 26.63 1 1 "[+ . 1 ]"
7 . 1 11 VAL C 1 12 ALA N 1 12 ALA CA 1 12 ALA C 160.00 -80.00 -106.26 -124.04 -77.85 2.15 1 0 "[ . 1 ]"
8 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 ILE N 40.00 -140.00 122.39 128.72 125.90 . . 0 "[ . 1 ]"
9 . 1 12 ALA C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -140.89 -96.89 -114.38 -130.75 -94.98 1.91 11 0 "[ . 1 ]"
10 . 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 TYR N 112.82 162.54 119.58 118.16 116.81 0.81 1 0 "[ . 1 ]"
11 . 1 13 ILE C 1 14 TYR N 1 14 TYR CA 1 14 TYR C -149.74 -109.74 -109.09 -122.70 -97.70 12.04 1 4 "[+ - . * 1*]"
12 . 1 14 TYR N 1 14 TYR CA 1 14 TYR C 1 15 LEU N 99.27 159.35 130.55 128.45 126.42 . . 0 "[ . 1 ]"
13 . 1 14 TYR C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -151.73 -57.45 -112.11 -128.59 -100.13 . . 0 "[ . 1 ]"
14 . 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 VAL N 90.58 154.34 135.66 115.19 150.62 . . 0 "[ . 1 ]"
15 . 1 16 VAL C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -86.78 -41.34 -60.29 -88.41 -47.75 1.63 9 0 "[ . 1 ]"
16 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 PRO N -55.29 -12.61 -47.28 -42.76 -45.10 . . 0 "[ . 1 ]"
17 . 1 21 GLY C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -77.97 -37.97 -63.70 -49.25 -54.56 4.23 6 0 "[ . 1 ]"
18 . 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 SER N -59.04 -15.56 -31.58 -41.98 -23.36 . . 0 "[ . 1 ]"
19 . 1 22 ARG C 1 23 SER N 1 23 SER CA 1 23 SER C -86.13 -46.13 -60.66 -63.57 -66.47 . . 0 "[ . 1 ]"
20 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 ARG N -55.85 -15.85 -48.14 -41.53 -42.96 1.52 6 0 "[ . 1 ]"
21 . 1 23 SER C 1 24 ARG N 1 24 ARG CA 1 24 ARG C -86.73 -46.73 -73.00 -75.83 -77.01 . . 0 "[ . 1 ]"
22 . 1 24 ARG N 1 24 ARG CA 1 24 ARG C 1 25 ARG N -61.87 -21.87 -39.87 -58.15 -30.73 . . 0 "[ . 1 ]"
23 . 1 24 ARG C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -83.38 -43.38 -58.01 -59.46 -61.03 . . 0 "[ . 1 ]"
24 . 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 ALA N -58.94 -18.94 -53.65 -47.86 -52.60 2.85 11 0 "[ . 1 ]"
25 . 1 25 ARG C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -85.06 -45.06 -59.02 -88.51 -49.80 3.45 4 0 "[ . 1 ]"
26 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 PHE N -60.27 -20.27 -41.90 -52.41 -22.00 . . 0 "[ . 1 ]"
27 . 1 26 ALA C 1 27 PHE N 1 27 PHE CA 1 27 PHE C -89.06 -49.06 -61.31 -63.82 -67.72 . . 0 "[ . 1 ]"
28 . 1 27 PHE N 1 27 PHE CA 1 27 PHE C 1 28 LEU N -58.88 -18.88 -46.58 -41.07 -44.40 . . 0 "[ . 1 ]"
29 . 1 27 PHE C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -83.96 -43.96 -74.80 -76.39 -80.08 . . 0 "[ . 1 ]"
30 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 THR N -61.76 -21.76 -29.06 -47.61 -18.40 3.36 11 0 "[ . 1 ]"
31 . 1 28 LEU C 1 29 THR N 1 29 THR CA 1 29 THR C -82.87 -42.87 -65.72 -59.68 -62.88 . . 0 "[ . 1 ]"
32 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 GLY N -63.16 -23.16 -55.48 -39.10 -50.56 2.03 1 0 "[ . 1 ]"
33 . 1 29 THR C 1 30 GLY N 1 30 GLY CA 1 30 GLY C -84.25 -44.25 -62.12 -69.55 -50.13 . . 0 "[ . 1 ]"
34 . 1 30 GLY N 1 30 GLY CA 1 30 GLY C 1 31 LEU N -58.73 -18.73 -38.09 -53.54 -20.50 . . 0 "[ . 1 ]"
35 . 1 30 GLY C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -86.60 -46.60 -69.23 -65.51 -72.38 . . 0 "[ . 1 ]"
36 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 ALA N -57.65 -17.65 -56.07 -55.50 -56.63 1.32 1 0 "[ . 1 ]"
37 . 1 31 LEU C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -84.09 -44.09 -58.08 -65.00 -51.05 . . 0 "[ . 1 ]"
38 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 ARG N -60.26 -20.26 -37.60 -40.51 -30.92 . . 0 "[ . 1 ]"
39 . 1 32 ALA C 1 33 ARG N 1 33 ARG CA 1 33 ARG C -82.98 -42.98 -63.95 -70.30 -72.49 . . 0 "[ . 1 ]"
40 . 1 33 ARG N 1 33 ARG CA 1 33 ARG C 1 34 SER N -57.01 -17.01 -38.50 -21.50 -31.14 . . 0 "[ . 1 ]"
41 . 1 33 ARG C 1 34 SER N 1 34 SER CA 1 34 SER C -84.95 -44.95 -79.90 -85.81 -88.42 3.47 1 0 "[ . 1 ]"
42 . 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 LYS N -56.06 2.90 -16.40 -25.91 -10.52 . . 0 "[ . 1 ]"
43 . 1 35 LYS C 1 36 GLY N 1 36 GLY CA 1 36 GLY C 160.00 -80.00 154.63 153.51 139.88 20.12 1 3 "[+- .* 1 ]"
44 . 1 36 GLY N 1 36 GLY CA 1 36 GLY C 1 37 PHE N 40.00 -140.00 43.49 59.11 52.51 5.59 10 2 "[ . +-]"
45 . 1 36 GLY C 1 37 PHE N 1 37 PHE CA 1 37 PHE C 160.00 -80.00 -139.03 -147.92 -130.16 . . 0 "[ . 1 ]"
46 . 1 37 PHE N 1 37 PHE CA 1 37 PHE C 1 38 ARG N 40.00 -140.00 148.39 141.57 138.69 . . 0 "[ . 1 ]"
47 . 1 37 PHE C 1 38 ARG N 1 38 ARG CA 1 38 ARG C 160.00 -80.00 -92.88 -109.76 -83.31 . . 0 "[ . 1 ]"
48 . 1 38 ARG N 1 38 ARG CA 1 38 ARG C 1 39 VAL N 40.00 -140.00 133.96 91.57 -167.41 . . 0 "[ . 1 ]"
49 . 1 38 ARG C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -146.64 -78.60 -92.01 -84.62 -88.48 5.36 8 1 "[ . + 1 ]"
50 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 LEU N 104.19 144.19 115.33 113.34 102.55 8.60 1 1 "[+ . 1 ]"
51 . 1 39 VAL C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -134.61 -64.41 -84.81 -103.33 -71.67 . . 0 "[ . 1 ]"
52 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 ASP N 97.36 156.28 124.06 105.56 146.82 . . 0 "[ . 1 ]"
53 . 1 40 LEU C 1 41 ASP N 1 41 ASP CA 1 41 ASP C 160.00 -80.00 -101.86 -122.86 -123.78 2.39 9 0 "[ . 1 ]"
54 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 ALA N 40.00 -140.00 154.71 38.24 -143.47 1.76 2 0 "[ . 1 ]"
55 . 1 41 ASP C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -161.64 -79.08 -102.16 -162.02 62.96 135.40 1 1 "[+ . 1 ]"
56 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 CYS N 115.02 -171.22 157.73 114.60 168.60 0.42 8 0 "[ . 1 ]"
57 . 1 44 SER C 1 45 SER N 1 45 SER CA 1 45 SER C -102.33 -44.01 -88.56 -104.10 -72.97 1.77 3 0 "[ . 1 ]"
58 . 1 45 SER N 1 45 SER CA 1 45 SER C 1 46 GLU N -46.54 5.42 3.96 3.41 -6.86 2.92 2 0 "[ . 1 ]"
59 . 1 45 SER C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -123.99 -47.15 -69.44 -84.95 -57.85 . . 0 "[ . 1 ]"
60 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 ALA N -61.85 26.63 -12.51 -7.86 -14.64 . . 0 "[ . 1 ]"
61 . 1 47 ALA C 1 48 THR N 1 48 THR CA 1 48 THR C 160.00 -80.00 -127.90 -126.22 -130.83 . . 0 "[ . 1 ]"
62 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 HIS N 40.00 -140.00 34.47 25.12 9.21 30.79 1 7 "[+ *** -* * ]"
63 . 1 48 THR C 1 49 HIS N 1 49 HIS CA 1 49 HIS C 160.00 -80.00 -169.46 157.22 -146.38 2.78 6 0 "[ . 1 ]"
64 . 1 49 HIS N 1 49 HIS CA 1 49 HIS C 1 50 VAL N 40.00 -140.00 105.81 67.63 142.25 . . 0 "[ . 1 ]"
65 . 1 49 HIS C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -138.40 -92.16 -100.34 -116.19 -87.04 5.12 5 1 "[ + 1 ]"
66 . 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 VAL N 98.71 154.39 117.92 107.73 101.50 . . 0 "[ . 1 ]"
67 . 1 50 VAL C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -139.08 -96.60 -118.48 -136.54 -109.11 . . 0 "[ . 1 ]"
68 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 MET N 102.21 160.33 128.63 106.96 152.84 . . 0 "[ . 1 ]"
69 . 1 51 VAL C 1 52 MET N 1 52 MET CA 1 52 MET C -151.88 -99.60 -130.25 -121.49 -138.25 3.67 5 0 "[ . 1 ]"
70 . 1 52 MET N 1 52 MET CA 1 52 MET C 1 53 GLU N 106.06 166.70 151.71 140.40 164.97 . . 0 "[ . 1 ]"
71 . 1 52 MET C 1 53 GLU N 1 53 GLU CA 1 53 GLU C 178.24 -66.76 -109.02 -127.33 -93.46 . . 0 "[ . 1 ]"
72 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 GLU N 116.58 178.46 146.58 127.27 160.66 . . 0 "[ . 1 ]"
73 . 1 54 GLU C 1 55 THR N 1 55 THR CA 1 55 THR C -163.14 -68.74 -122.13 -127.38 -131.02 . . 0 "[ . 1 ]"
74 . 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 SER N 91.28 -174.52 123.91 108.51 131.55 . . 0 "[ . 1 ]"
75 . 1 55 THR C 1 56 SER N 1 56 SER CA 1 56 SER C -144.46 -40.54 -81.94 -81.24 -85.25 . . 0 "[ . 1 ]"
76 . 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 ALA N 108.17 -158.91 170.42 148.37 -173.08 . . 0 "[ . 1 ]"
77 . 1 56 SER C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -80.66 -40.66 -50.90 -56.34 -60.64 . . 0 "[ . 1 ]"
78 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 GLU N -60.78 -18.30 -59.57 -63.58 -73.09 12.31 1 1 "[+ . 1 ]"
79 . 1 57 ALA C 1 58 GLU N 1 58 GLU CA 1 58 GLU C -83.27 -43.27 -62.05 -77.51 -47.66 . . 0 "[ . 1 ]"
80 . 1 58 GLU N 1 58 GLU CA 1 58 GLU C 1 59 GLU N -63.24 -23.24 -39.56 -61.18 -23.63 . . 0 "[ . 1 ]"
81 . 1 58 GLU C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -85.42 -45.42 -50.14 -57.81 -64.65 1.63 11 0 "[ . 1 ]"
82 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 ALA N -60.17 -20.17 -52.26 -58.77 -41.05 . . 0 "[ . 1 ]"
83 . 1 59 GLU C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -86.16 -46.16 -75.35 -75.77 -80.54 . . 0 "[ . 1 ]"
84 . 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 VAL N -62.14 -22.14 -24.93 -30.83 -31.56 2.13 11 0 "[ . 1 ]"
85 . 1 60 ALA C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -82.70 -42.70 -66.38 -71.31 -61.93 . . 0 "[ . 1 ]"
86 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 SER N -67.95 -23.23 -43.89 -53.03 -34.15 . . 0 "[ . 1 ]"
87 . 1 61 VAL C 1 62 SER N 1 62 SER CA 1 62 SER C -83.52 -43.52 -63.57 -55.48 -60.49 . . 0 "[ . 1 ]"
88 . 1 62 SER N 1 62 SER CA 1 62 SER C 1 63 TRP N -58.65 -18.65 -42.31 -46.94 -37.31 . . 0 "[ . 1 ]"
89 . 1 62 SER C 1 63 TRP N 1 63 TRP CA 1 63 TRP C -87.42 -47.42 -55.24 -66.78 -48.05 . . 0 "[ . 1 ]"
90 . 1 63 TRP N 1 63 TRP CA 1 63 TRP C 1 64 GLN N -63.52 -23.52 -44.86 -53.31 -36.08 . . 0 "[ . 1 ]"
91 . 1 63 TRP C 1 64 GLN N 1 64 GLN CA 1 64 GLN C -84.27 -44.27 -57.16 -58.96 -62.15 . . 0 "[ . 1 ]"
92 . 1 64 GLN N 1 64 GLN CA 1 64 GLN C 1 65 GLU N -59.97 -19.97 -41.73 -51.76 -31.30 . . 0 "[ . 1 ]"
93 . 1 64 GLN C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -87.98 -47.98 -61.87 -57.78 -60.78 . . 0 "[ . 1 ]"
94 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 ARG N -59.39 -19.39 -39.25 -36.21 -38.52 . . 0 "[ . 1 ]"
95 . 1 65 GLU C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -84.38 -44.38 -67.99 -64.66 -66.93 . . 0 "[ . 1 ]"
96 . 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 ARG N -61.53 -21.53 -37.92 -52.74 -24.09 . . 0 "[ . 1 ]"
97 . 1 66 ARG C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -84.52 -44.52 -63.33 -75.03 -53.55 . . 0 "[ . 1 ]"
98 . 1 67 ARG N 1 67 ARG CA 1 67 ARG C 1 68 MET N -58.61 -18.61 -46.48 -19.76 -43.78 . . 0 "[ . 1 ]"
99 . 1 67 ARG C 1 68 MET N 1 68 MET CA 1 68 MET C -85.56 -45.56 -66.24 -80.39 -58.68 . . 0 "[ . 1 ]"
100 . 1 68 MET N 1 68 MET CA 1 68 MET C 1 69 ALA N -58.43 -18.43 -35.30 -47.69 -18.04 0.39 8 0 "[ . 1 ]"
101 . 1 68 MET C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -92.98 -52.98 -64.96 -84.10 -57.43 . . 0 "[ . 1 ]"
102 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 ALA N -53.49 -9.01 -24.20 -24.65 -26.21 . . 0 "[ . 1 ]"
103 . 1 70 ALA C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -99.83 -53.43 -97.08 -89.79 -97.99 1.12 5 0 "[ . 1 ]"
104 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 PRO N 113.34 171.42 155.08 135.71 171.53 0.11 7 0 "[ . 1 ]"
105 . 1 74 GLY C 1 75 CYS N 1 75 CYS CA 1 75 CYS C -133.61 -36.93 -79.79 -71.53 -73.86 . . 0 "[ . 1 ]"
106 . 1 75 CYS N 1 75 CYS CA 1 75 CYS C 1 76 THR N 100.76 171.64 133.63 132.67 127.44 . . 0 "[ . 1 ]"
107 . 1 75 CYS C 1 76 THR N 1 76 THR CA 1 76 THR C -155.02 -31.06 -73.58 -101.74 -60.68 . . 0 "[ . 1 ]"
108 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 PRO N 96.07 169.63 130.49 117.02 149.58 . . 0 "[ . 1 ]"
109 . 1 79 ALA C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -121.03 -70.03 -84.25 -100.43 -72.29 . . 0 "[ . 1 ]"
110 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 LEU N 94.76 145.84 127.92 120.48 119.46 4.62 4 0 "[ . 1 ]"
111 . 1 80 LEU C 1 81 LEU N 1 81 LEU CA 1 81 LEU C 179.25 -81.63 -168.57 170.98 -155.62 8.27 4 1 "[ +. 1 ]"
112 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 ASP N 110.70 -168.30 -174.73 -167.72 -171.45 1.08 2 0 "[ . 1 ]"
113 . 1 81 LEU C 1 82 ASP N 1 82 ASP CA 1 82 ASP C -168.06 -104.30 -110.51 -134.75 -96.30 8.00 1 3 "[+ -. * 1 ]"
114 . 1 82 ASP N 1 82 ASP CA 1 82 ASP C 1 83 ILE N 111.86 -173.66 163.32 150.30 -165.04 8.62 6 1 "[ .+ 1 ]"
115 . 1 82 ASP C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -131.35 -54.03 -61.93 -58.38 -64.13 1.61 11 0 "[ . 1 ]"
116 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 TRP N -55.21 -15.21 -26.94 -34.26 -19.99 . . 0 "[ . 1 ]"
117 . 1 84 SER C 1 85 TRP N 1 85 TRP CA 1 85 TRP C -84.73 -44.73 -63.46 -57.09 -64.86 . . 0 "[ . 1 ]"
118 . 1 85 TRP N 1 85 TRP CA 1 85 TRP C 1 86 LEU N -67.07 -27.07 -40.70 -48.73 -33.01 . . 0 "[ . 1 ]"
119 . 1 85 TRP C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -81.28 -41.28 -74.79 -82.02 -63.89 0.74 8 0 "[ . 1 ]"
120 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 THR N -64.86 -24.86 -44.54 -50.73 -34.43 . . 0 "[ . 1 ]"
121 . 1 86 LEU C 1 87 THR N 1 87 THR CA 1 87 THR C -83.57 -43.57 -58.19 -63.02 -49.10 . . 0 "[ . 1 ]"
122 . 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 GLU N -59.23 -19.23 -45.72 -39.43 -45.42 . . 0 "[ . 1 ]"
123 . 1 87 THR C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -83.40 -43.40 -64.50 -81.76 -53.70 . . 0 "[ . 1 ]"
124 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 SER N -60.99 -20.99 -45.20 -30.54 -35.10 . . 0 "[ . 1 ]"
125 . 1 88 GLU C 1 89 SER N 1 89 SER CA 1 89 SER C -83.71 -43.71 -57.33 -71.67 -48.27 . . 0 "[ . 1 ]"
126 . 1 89 SER N 1 89 SER CA 1 89 SER C 1 90 LEU N -63.00 -23.00 -41.37 -48.07 -31.20 . . 0 "[ . 1 ]"
127 . 1 89 SER C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -82.96 -42.96 -61.22 -68.36 -75.86 . . 0 "[ . 1 ]"
128 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 GLY N -59.18 -19.18 -39.68 -19.32 -27.34 0.11 4 0 "[ . 1 ]"
129 . 1 90 LEU C 1 91 GLY N 1 91 GLY CA 1 91 GLY C -88.62 -41.98 -65.27 -88.67 -47.39 0.05 4 0 "[ . 1 ]"
130 . 1 91 GLY N 1 91 GLY CA 1 91 GLY C 1 92 ALA N -52.02 -12.02 -42.89 -18.34 -37.65 . . 0 "[ . 1 ]"
131 . 1 91 GLY C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -122.74 -57.94 -76.24 -105.21 -62.49 . . 0 "[ . 1 ]"
132 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 GLY N -32.95 27.25 -28.91 -33.51 -19.37 0.56 7 0 "[ . 1 ]"
133 . 1 93 GLY C 1 94 GLN N 1 94 GLN CA 1 94 GLN C -165.47 -44.39 -156.87 -165.27 -149.23 . . 0 "[ . 1 ]"
134 . 1 94 GLN N 1 94 GLN CA 1 94 GLN C 1 95 PRO N 120.45 175.57 152.44 151.91 151.42 . . 0 "[ . 1 ]"
135 . 1 95 PRO C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -127.70 -46.26 -68.94 -64.84 -65.21 . . 0 "[ . 1 ]"
136 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 PRO N 100.79 -177.17 148.66 141.08 156.20 . . 0 "[ . 1 ]"
137 . 1 98 VAL C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -157.14 -59.34 -78.23 -99.57 -103.21 . . 0 "[ . 1 ]"
138 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 CYS N 141.55 -178.17 156.92 141.77 171.01 . . 0 "[ . 1 ]"
139 . 1 99 GLU C 1 100 CYS N 1 100 CYS CA 1 100 CYS C -78.58 -38.58 -57.66 -58.02 -59.88 . . 0 "[ . 1 ]"
140 . 1 100 CYS N 1 100 CYS CA 1 100 CYS C 1 101 ARG N -62.14 -22.14 -26.82 -47.28 -20.34 1.80 3 0 "[ . 1 ]"
141 . 1 100 CYS C 1 101 ARG N 1 101 ARG CA 1 101 ARG C -96.50 -42.62 -62.29 -68.41 -57.18 . . 0 "[ . 1 ]"
142 . 1 101 ARG N 1 101 ARG CA 1 101 ARG C 1 102 HIS N -60.18 6.98 -34.35 -44.40 -62.44 2.26 1 0 "[ . 1 ]"
143 . 1 101 ARG C 1 102 HIS N 1 102 HIS CA 1 102 HIS C -133.86 -33.02 -90.87 -108.37 -67.76 . . 0 "[ . 1 ]"
144 . 1 102 HIS N 1 102 HIS CA 1 102 HIS C 1 103 ARG N -71.13 8.11 -16.94 -22.28 -27.69 . . 0 "[ . 1 ]"
145 . 1 102 HIS C 1 103 ARG N 1 103 ARG CA 1 103 ARG C -129.84 -59.08 -89.54 -86.67 -88.61 . . 0 "[ . 1 ]"
146 . 1 103 ARG N 1 103 ARG CA 1 103 ARG C 1 104 LEU N -49.77 24.03 24.62 -30.68 51.15 27.12 1 7 "[+ **.* -** ]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 147
_TA_constraint_stats_list.Viol_count 183
_TA_constraint_stats_list.Viol_total 25808.13
_TA_constraint_stats_list.Viol_max 142.82
_TA_constraint_stats_list.Viol_rms 11.42
_TA_constraint_stats_list.Viol_average_all_restraints 1.45
_TA_constraint_stats_list.Viol_average_violations_only 12.82
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 PHI 1 1 GLY C 1 2 THR N 1 2 THR CA 1 2 THR C -138.20 -64.90 -94.38 -136.51 44.93 109.83 1 1 "[+ . 1 ]"
2 PSI 1 2 THR N 1 2 THR CA 1 2 THR C 1 3 PRO N 96.50 167.50 122.54 118.51 48.02 48.48 1 1 "[+ . 1 ]"
3 PSI 1 3 PRO N 1 3 PRO CA 1 3 PRO C 1 4 PRO N 111.10 170.30 144.42 128.74 -46.88 142.82 1 1 "[+ . 1 ]"
4 PHI 1 10 GLY C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -125.70 -69.50 -103.13 -80.05 -87.24 0.77 10 0 "[ . 1 ]"
5 PSI 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 ALA N 108.10 159.60 111.54 135.72 115.97 26.61 1 1 "[+ . 1 ]"
6 PHI 1 11 VAL C 1 12 ALA N 1 12 ALA CA 1 12 ALA C 160.00 -80.00 -106.26 -124.04 -77.85 2.15 1 0 "[ . 1 ]"
7 PSI 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 ILE N 40.00 -140.00 122.39 128.72 125.90 . . 0 "[ . 1 ]"
8 PHI 1 12 ALA C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -140.90 -96.90 -114.38 -130.75 -94.98 1.92 11 0 "[ . 1 ]"
9 PSI 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 TYR N 112.80 162.50 119.58 118.16 116.81 0.79 1 0 "[ . 1 ]"
10 PHI 1 13 ILE C 1 14 TYR N 1 14 TYR CA 1 14 TYR C -149.70 -109.70 -109.09 -122.70 -97.70 12.00 1 4 "[+ - . * 1*]"
11 PSI 1 14 TYR N 1 14 TYR CA 1 14 TYR C 1 15 LEU N 99.30 159.30 130.55 128.45 126.42 . . 0 "[ . 1 ]"
12 PHI 1 14 TYR C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -151.70 -57.50 -112.11 -128.59 -100.13 . . 0 "[ . 1 ]"
13 PSI 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 VAL N 90.60 154.30 135.66 115.19 150.62 . . 0 "[ . 1 ]"
14 PHI 1 16 VAL C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -86.80 -41.30 -60.29 -88.41 -47.75 1.61 9 0 "[ . 1 ]"
15 PSI 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 PRO N -55.30 -12.60 -47.28 -42.76 -45.10 . . 0 "[ . 1 ]"
16 PHI 1 21 GLY C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -78.00 -38.00 -63.70 -49.25 -54.56 4.20 6 0 "[ . 1 ]"
17 PSI 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 SER N -59.00 -15.60 -31.58 -41.98 -23.36 . . 0 "[ . 1 ]"
18 PHI 1 22 ARG C 1 23 SER N 1 23 SER CA 1 23 SER C -86.10 -46.10 -60.66 -63.57 -66.47 . . 0 "[ . 1 ]"
19 PSI 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 ARG N -55.90 -15.90 -48.14 -41.53 -42.96 1.47 6 0 "[ . 1 ]"
20 PHI 1 23 SER C 1 24 ARG N 1 24 ARG CA 1 24 ARG C -86.70 -46.70 -73.00 -75.83 -77.01 . . 0 "[ . 1 ]"
21 PSI 1 24 ARG N 1 24 ARG CA 1 24 ARG C 1 25 ARG N -61.90 -21.90 -39.87 -58.15 -30.73 . . 0 "[ . 1 ]"
22 PHI 1 24 ARG C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -83.40 -43.40 -58.01 -59.46 -61.03 . . 0 "[ . 1 ]"
23 PSI 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 ALA N -58.90 -18.90 -53.65 -47.86 -52.60 2.89 11 0 "[ . 1 ]"
24 PHI 1 25 ARG C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -85.10 -45.10 -59.02 -88.51 -49.80 3.41 4 0 "[ . 1 ]"
25 PSI 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 PHE N -60.30 -20.30 -41.90 -52.41 -22.00 . . 0 "[ . 1 ]"
26 PHI 1 26 ALA C 1 27 PHE N 1 27 PHE CA 1 27 PHE C -89.10 -49.10 -61.31 -63.82 -67.72 . . 0 "[ . 1 ]"
27 PSI 1 27 PHE N 1 27 PHE CA 1 27 PHE C 1 28 LEU N -58.90 -18.90 -46.58 -41.07 -44.40 . . 0 "[ . 1 ]"
28 PHI 1 27 PHE C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -84.00 -44.00 -74.80 -76.39 -80.08 . . 0 "[ . 1 ]"
29 PSI 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 THR N -61.80 -21.80 -29.06 -47.61 -18.40 3.40 11 0 "[ . 1 ]"
30 PHI 1 28 LEU C 1 29 THR N 1 29 THR CA 1 29 THR C -82.90 -42.90 -65.72 -59.68 -62.88 . . 0 "[ . 1 ]"
31 PSI 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 GLY N -63.20 -23.20 -55.48 -39.10 -50.56 1.99 1 0 "[ . 1 ]"
32 PHI 1 29 THR C 1 30 GLY N 1 30 GLY CA 1 30 GLY C -84.20 -44.20 -62.12 -69.55 -50.13 . . 0 "[ . 1 ]"
33 PSI 1 30 GLY N 1 30 GLY CA 1 30 GLY C 1 31 LEU N -58.70 -18.70 -38.09 -53.54 -20.50 . . 0 "[ . 1 ]"
34 PHI 1 30 GLY C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -86.60 -46.60 -69.23 -65.51 -72.38 . . 0 "[ . 1 ]"
35 PSI 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 ALA N -57.60 -17.60 -56.07 -55.50 -56.63 1.37 1 0 "[ . 1 ]"
36 PHI 1 31 LEU C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -84.10 -44.10 -58.08 -65.00 -51.05 . . 0 "[ . 1 ]"
37 PSI 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 ARG N -60.30 -20.30 -37.60 -40.51 -30.92 . . 0 "[ . 1 ]"
38 PHI 1 32 ALA C 1 33 ARG N 1 33 ARG CA 1 33 ARG C -83.00 -43.00 -63.95 -70.30 -72.49 . . 0 "[ . 1 ]"
39 PSI 1 33 ARG N 1 33 ARG CA 1 33 ARG C 1 34 SER N -57.00 -17.00 -38.50 -21.50 -31.14 . . 0 "[ . 1 ]"
40 PHI 1 33 ARG C 1 34 SER N 1 34 SER CA 1 34 SER C -85.00 -45.00 -79.90 -85.81 -88.42 3.42 1 0 "[ . 1 ]"
41 PSI 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 LYS N -56.10 2.90 -16.40 -25.91 -10.52 . . 0 "[ . 1 ]"
42 PHI 1 35 LYS C 1 36 GLY N 1 36 GLY CA 1 36 GLY C 160.00 -80.00 154.63 153.51 139.88 20.12 1 3 "[+- .* 1 ]"
43 PSI 1 36 GLY N 1 36 GLY CA 1 36 GLY C 1 37 PHE N 40.00 -140.00 43.49 59.11 52.51 5.59 10 2 "[ . +-]"
44 PHI 1 36 GLY C 1 37 PHE N 1 37 PHE CA 1 37 PHE C 160.00 -80.00 -139.03 -147.92 -130.16 . . 0 "[ . 1 ]"
45 PSI 1 37 PHE N 1 37 PHE CA 1 37 PHE C 1 38 ARG N 40.00 -140.00 148.39 141.57 138.69 . . 0 "[ . 1 ]"
46 PHI 1 37 PHE C 1 38 ARG N 1 38 ARG CA 1 38 ARG C 160.00 -80.00 -92.88 -109.76 -83.31 . . 0 "[ . 1 ]"
47 PSI 1 38 ARG N 1 38 ARG CA 1 38 ARG C 1 39 VAL N 40.00 -140.00 133.96 91.57 -167.41 . . 0 "[ . 1 ]"
48 PHI 1 38 ARG C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -146.60 -78.60 -92.01 -84.62 -88.48 5.36 8 1 "[ . + 1 ]"
49 PSI 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 LEU N 104.20 144.20 115.33 113.34 102.55 8.61 1 1 "[+ . 1 ]"
50 PHI 1 39 VAL C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -134.60 -64.40 -84.81 -103.33 -71.67 . . 0 "[ . 1 ]"
51 PSI 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 ASP N 97.40 156.30 124.06 105.56 146.82 . . 0 "[ . 1 ]"
52 PHI 1 40 LEU C 1 41 ASP N 1 41 ASP CA 1 41 ASP C 160.00 -80.00 -101.86 -122.86 -123.78 2.39 9 0 "[ . 1 ]"
53 PSI 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 ALA N 40.00 -140.00 154.71 38.24 -143.47 1.76 2 0 "[ . 1 ]"
54 PHI 1 41 ASP C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -161.60 -79.10 -102.16 -162.02 62.96 135.44 1 1 "[+ . 1 ]"
55 PSI 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 CYS N 115.00 -171.20 157.73 114.60 168.60 0.40 8 0 "[ . 1 ]"
56 PHI 1 44 SER C 1 45 SER N 1 45 SER CA 1 45 SER C -102.30 -44.00 -88.56 -104.10 -72.97 1.80 3 0 "[ . 1 ]"
57 PSI 1 45 SER N 1 45 SER CA 1 45 SER C 1 46 GLU N -46.50 5.40 3.96 3.41 -6.86 2.94 2 0 "[ . 1 ]"
58 PHI 1 45 SER C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -124.00 -47.10 -69.44 -84.95 -57.85 . . 0 "[ . 1 ]"
59 PSI 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 ALA N -61.90 26.60 -12.51 -7.86 -14.64 . . 0 "[ . 1 ]"
60 PHI 1 47 ALA C 1 48 THR N 1 48 THR CA 1 48 THR C 160.00 -80.00 -127.90 -126.22 -130.83 . . 0 "[ . 1 ]"
61 PSI 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 HIS N 40.00 -140.00 34.47 25.12 9.21 30.79 1 7 "[+ *** -* * ]"
62 PHI 1 48 THR C 1 49 HIS N 1 49 HIS CA 1 49 HIS C 160.00 -80.00 -169.46 157.22 -146.38 2.78 6 0 "[ . 1 ]"
63 PSI 1 49 HIS N 1 49 HIS CA 1 49 HIS C 1 50 VAL N 40.00 -140.00 105.81 67.63 142.25 . . 0 "[ . 1 ]"
64 PHI 1 49 HIS C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -138.40 -92.20 -100.34 -116.19 -87.04 5.16 5 1 "[ + 1 ]"
65 PSI 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 VAL N 98.70 154.40 117.92 107.73 101.50 . . 0 "[ . 1 ]"
66 PHI 1 50 VAL C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -139.10 -96.60 -118.48 -136.54 -109.11 . . 0 "[ . 1 ]"
67 PSI 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 MET N 102.20 160.30 128.63 106.96 152.84 . . 0 "[ . 1 ]"
68 PHI 1 51 VAL C 1 52 MET N 1 52 MET CA 1 52 MET C -151.90 -99.60 -130.25 -121.49 -138.25 3.65 5 0 "[ . 1 ]"
69 PSI 1 52 MET N 1 52 MET CA 1 52 MET C 1 53 GLU N 106.10 166.70 151.71 140.40 164.97 . . 0 "[ . 1 ]"
70 PHI 1 52 MET C 1 53 GLU N 1 53 GLU CA 1 53 GLU C 178.20 -66.80 -109.02 -127.33 -93.46 . . 0 "[ . 1 ]"
71 PSI 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 GLU N 116.60 178.50 146.58 127.27 160.66 . . 0 "[ . 1 ]"
72 PHI 1 54 GLU C 1 55 THR N 1 55 THR CA 1 55 THR C -163.10 -68.70 -122.13 -127.38 -131.02 . . 0 "[ . 1 ]"
73 PSI 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 SER N 91.30 -174.50 123.91 108.51 131.55 . . 0 "[ . 1 ]"
74 PHI 1 55 THR C 1 56 SER N 1 56 SER CA 1 56 SER C -144.50 -40.50 -81.94 -81.24 -85.25 . . 0 "[ . 1 ]"
75 PSI 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 ALA N 108.20 -158.90 170.42 148.37 -173.08 . . 0 "[ . 1 ]"
76 PHI 1 56 SER C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -80.70 -40.70 -50.90 -56.34 -60.64 . . 0 "[ . 1 ]"
77 PSI 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 GLU N -60.80 -18.30 -59.57 -63.58 -73.09 12.29 1 1 "[+ . 1 ]"
78 PHI 1 57 ALA C 1 58 GLU N 1 58 GLU CA 1 58 GLU C -83.30 -43.30 -62.05 -77.51 -47.66 . . 0 "[ . 1 ]"
79 PSI 1 58 GLU N 1 58 GLU CA 1 58 GLU C 1 59 GLU N -63.20 -23.20 -39.56 -61.18 -23.63 . . 0 "[ . 1 ]"
80 PHI 1 58 GLU C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -85.40 -45.40 -50.14 -57.81 -64.65 1.61 11 0 "[ . 1 ]"
81 PSI 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 ALA N -60.20 -20.20 -52.26 -58.77 -41.05 . . 0 "[ . 1 ]"
82 PHI 1 59 GLU C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -86.20 -46.20 -75.35 -75.77 -80.54 . . 0 "[ . 1 ]"
83 PSI 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 VAL N -62.10 -22.10 -24.93 -30.83 -31.56 2.09 11 0 "[ . 1 ]"
84 PHI 1 60 ALA C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -82.70 -42.70 -66.38 -71.31 -61.93 . . 0 "[ . 1 ]"
85 PSI 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 SER N -68.00 -23.20 -43.89 -53.03 -34.15 . . 0 "[ . 1 ]"
86 PHI 1 61 VAL C 1 62 SER N 1 62 SER CA 1 62 SER C -83.50 -43.50 -63.57 -55.48 -60.49 . . 0 "[ . 1 ]"
87 PSI 1 62 SER N 1 62 SER CA 1 62 SER C 1 63 TRP N -58.60 -18.60 -42.31 -46.94 -37.31 . . 0 "[ . 1 ]"
88 PHI 1 62 SER C 1 63 TRP N 1 63 TRP CA 1 63 TRP C -87.40 -47.40 -55.24 -66.78 -48.05 . . 0 "[ . 1 ]"
89 PSI 1 63 TRP N 1 63 TRP CA 1 63 TRP C 1 64 GLN N -63.50 -23.50 -44.86 -53.31 -36.08 . . 0 "[ . 1 ]"
90 PHI 1 63 TRP C 1 64 GLN N 1 64 GLN CA 1 64 GLN C -84.30 -44.30 -57.16 -58.96 -62.15 . . 0 "[ . 1 ]"
91 PSI 1 64 GLN N 1 64 GLN CA 1 64 GLN C 1 65 GLU N -60.00 -20.00 -41.73 -51.76 -31.30 . . 0 "[ . 1 ]"
92 PHI 1 64 GLN C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -88.00 -48.00 -61.87 -57.78 -60.78 . . 0 "[ . 1 ]"
93 PSI 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 ARG N -59.40 -19.40 -39.25 -36.21 -38.52 . . 0 "[ . 1 ]"
94 PHI 1 65 GLU C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -84.40 -44.40 -67.99 -64.66 -66.93 . . 0 "[ . 1 ]"
95 PSI 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 ARG N -61.50 -21.50 -37.92 -52.74 -24.09 . . 0 "[ . 1 ]"
96 PHI 1 66 ARG C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -84.50 -44.50 -63.33 -75.03 -53.55 . . 0 "[ . 1 ]"
97 PSI 1 67 ARG N 1 67 ARG CA 1 67 ARG C 1 68 MET N -58.60 -18.60 -46.48 -19.76 -43.78 . . 0 "[ . 1 ]"
98 PHI 1 67 ARG C 1 68 MET N 1 68 MET CA 1 68 MET C -85.60 -45.60 -66.24 -80.39 -58.68 . . 0 "[ . 1 ]"
99 PSI 1 68 MET N 1 68 MET CA 1 68 MET C 1 69 ALA N -58.40 -18.40 -35.30 -47.69 -18.04 0.36 8 0 "[ . 1 ]"
100 PHI 1 68 MET C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -93.00 -53.00 -64.96 -84.10 -57.43 . . 0 "[ . 1 ]"
101 PSI 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 ALA N -53.50 -9.00 -24.20 -24.65 -26.21 . . 0 "[ . 1 ]"
102 PHI 1 70 ALA C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -99.80 -53.40 -97.08 -89.79 -97.99 1.15 5 0 "[ . 1 ]"
103 PSI 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 PRO N 113.30 171.40 155.08 135.71 171.53 0.13 7 0 "[ . 1 ]"
104 PHI 1 74 GLY C 1 75 CYS N 1 75 CYS CA 1 75 CYS C -133.60 -36.90 -79.79 -71.53 -73.86 . . 0 "[ . 1 ]"
105 PSI 1 75 CYS N 1 75 CYS CA 1 75 CYS C 1 76 THR N 100.80 171.60 133.63 132.67 127.44 . . 0 "[ . 1 ]"
106 PHI 1 75 CYS C 1 76 THR N 1 76 THR CA 1 76 THR C -155.00 -31.10 -73.58 -101.74 -60.68 . . 0 "[ . 1 ]"
107 PSI 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 PRO N 96.10 169.60 130.49 117.02 149.58 . . 0 "[ . 1 ]"
108 PHI 1 79 ALA C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -121.00 -70.00 -84.25 -100.43 -72.29 . . 0 "[ . 1 ]"
109 PSI 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 LEU N 94.80 145.80 127.92 120.48 119.46 4.66 4 0 "[ . 1 ]"
110 PHI 1 80 LEU C 1 81 LEU N 1 81 LEU CA 1 81 LEU C 179.20 -81.60 -168.57 170.98 -155.62 8.22 4 1 "[ +. 1 ]"
111 PSI 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 ASP N 110.70 -168.30 -174.73 -167.72 -171.45 1.08 2 0 "[ . 1 ]"
112 PHI 1 81 LEU C 1 82 ASP N 1 82 ASP CA 1 82 ASP C -168.10 -104.30 -110.51 -134.75 -96.30 8.00 1 3 "[+ -. * 1 ]"
113 PSI 1 82 ASP N 1 82 ASP CA 1 82 ASP C 1 83 ILE N 111.90 -173.70 163.32 150.30 -165.04 8.66 6 1 "[ .+ 1 ]"
114 PHI 1 82 ASP C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -131.30 -54.00 -61.93 -58.38 -64.13 1.58 11 0 "[ . 1 ]"
115 PSI 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 SER N 111.40 -160.00 -5.68 -16.03 55.27 127.43 2 11 [*+*******-*]
116 PHI 1 83 ILE C 1 84 SER N 1 84 SER CA 1 84 SER C -80.80 -40.80 -70.69 -131.20 -60.00 50.40 10 1 "[ . + ]"
117 PSI 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 TRP N -55.20 -15.20 -26.94 -34.26 -19.99 . . 0 "[ . 1 ]"
118 PHI 1 84 SER C 1 85 TRP N 1 85 TRP CA 1 85 TRP C -84.70 -44.70 -63.46 -57.09 -64.86 . . 0 "[ . 1 ]"
119 PSI 1 85 TRP N 1 85 TRP CA 1 85 TRP C 1 86 LEU N -67.10 -27.10 -40.70 -48.73 -33.01 . . 0 "[ . 1 ]"
120 PHI 1 85 TRP C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -81.30 -41.30 -74.79 -82.02 -63.89 0.72 8 0 "[ . 1 ]"
121 PSI 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 THR N -64.90 -24.90 -44.54 -50.73 -34.43 . . 0 "[ . 1 ]"
122 PHI 1 86 LEU C 1 87 THR N 1 87 THR CA 1 87 THR C -83.60 -43.60 -58.19 -63.02 -49.10 . . 0 "[ . 1 ]"
123 PSI 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 GLU N -59.20 -19.20 -45.72 -39.43 -45.42 . . 0 "[ . 1 ]"
124 PHI 1 87 THR C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -83.40 -43.40 -64.50 -81.76 -53.70 . . 0 "[ . 1 ]"
125 PSI 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 SER N -61.00 -21.00 -45.20 -30.54 -35.10 . . 0 "[ . 1 ]"
126 PHI 1 88 GLU C 1 89 SER N 1 89 SER CA 1 89 SER C -83.70 -43.70 -57.33 -71.67 -48.27 . . 0 "[ . 1 ]"
127 PSI 1 89 SER N 1 89 SER CA 1 89 SER C 1 90 LEU N -63.00 -23.00 -41.37 -48.07 -31.20 . . 0 "[ . 1 ]"
128 PHI 1 89 SER C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -83.00 -43.00 -61.22 -68.36 -75.86 . . 0 "[ . 1 ]"
129 PSI 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 GLY N -59.20 -19.20 -39.68 -19.32 -27.34 0.13 4 0 "[ . 1 ]"
130 PHI 1 90 LEU C 1 91 GLY N 1 91 GLY CA 1 91 GLY C -88.60 -42.00 -65.27 -88.67 -47.39 0.07 4 0 "[ . 1 ]"
131 PSI 1 91 GLY N 1 91 GLY CA 1 91 GLY C 1 92 ALA N -52.00 -12.00 -42.89 -18.34 -37.65 . . 0 "[ . 1 ]"
132 PHI 1 91 GLY C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -122.70 -57.90 -76.24 -105.21 -62.49 . . 0 "[ . 1 ]"
133 PSI 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 GLY N -33.00 27.20 -28.91 -33.51 -19.37 0.51 7 0 "[ . 1 ]"
134 PHI 1 93 GLY C 1 94 GLN N 1 94 GLN CA 1 94 GLN C -165.50 -44.40 -156.87 -165.27 -149.23 . . 0 "[ . 1 ]"
135 PSI 1 94 GLN N 1 94 GLN CA 1 94 GLN C 1 95 PRO N 120.40 175.60 152.44 151.91 151.42 . . 0 "[ . 1 ]"
136 PHI 1 95 PRO C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -127.70 -46.30 -68.94 -64.84 -65.21 . . 0 "[ . 1 ]"
137 PSI 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 PRO N 100.80 -177.20 148.66 141.08 156.20 . . 0 "[ . 1 ]"
138 PHI 1 98 VAL C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -157.10 -59.30 -78.23 -99.57 -103.21 . . 0 "[ . 1 ]"
139 PSI 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 CYS N 141.60 -178.20 156.92 141.77 171.01 . . 0 "[ . 1 ]"
140 PHI 1 99 GLU C 1 100 CYS N 1 100 CYS CA 1 100 CYS C -78.60 -38.60 -57.66 -58.02 -59.88 . . 0 "[ . 1 ]"
141 PSI 1 100 CYS N 1 100 CYS CA 1 100 CYS C 1 101 ARG N -62.10 -22.10 -26.82 -47.28 -20.34 1.76 3 0 "[ . 1 ]"
142 PHI 1 100 CYS C 1 101 ARG N 1 101 ARG CA 1 101 ARG C -96.50 -42.60 -62.29 -68.41 -57.18 . . 0 "[ . 1 ]"
143 PSI 1 101 ARG N 1 101 ARG CA 1 101 ARG C 1 102 HIS N -60.20 7.00 -34.35 -44.40 -62.44 2.24 1 0 "[ . 1 ]"
144 PHI 1 101 ARG C 1 102 HIS N 1 102 HIS CA 1 102 HIS C -133.90 -33.00 -90.87 -108.37 -67.76 . . 0 "[ . 1 ]"
145 PSI 1 102 HIS N 1 102 HIS CA 1 102 HIS C 1 103 ARG N -71.10 8.10 -16.94 -22.28 -27.69 . . 0 "[ . 1 ]"
146 PHI 1 102 HIS C 1 103 ARG N 1 103 ARG CA 1 103 ARG C -129.80 -59.10 -89.54 -86.67 -88.61 . . 0 "[ . 1 ]"
147 PSI 1 103 ARG N 1 103 ARG CA 1 103 ARG C 1 104 LEU N -49.80 24.00 24.62 -30.68 51.15 27.15 1 7 "[+ **.* -** ]"
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