NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
591071 |
2mxa   |
19971 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mxa
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 221
_TA_constraint_stats_list.Viol_count 354
_TA_constraint_stats_list.Viol_total 6682.00
_TA_constraint_stats_list.Viol_max 12.71
_TA_constraint_stats_list.Viol_rms 1.04
_TA_constraint_stats_list.Viol_average_all_restraints 0.30
_TA_constraint_stats_list.Viol_average_violations_only 1.89
_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 ALA C 1 3 THR N 1 3 THR CA 1 3 THR C -166.80 -59.80 -64.41 -63.68 -67.34 0.37 6 0 "[ . 1]"
2 . 1 3 THR N 1 3 THR CA 1 3 THR C 1 4 ILE N 145.90 -171.10 147.34 144.55 143.96 1.94 1 0 "[ . 1]"
3 . 1 3 THR C 1 4 ILE N 1 4 ILE CA 1 4 ILE C -83.10 -43.10 -51.54 -57.67 -43.05 0.05 10 0 "[ . 1]"
4 . 1 4 ILE N 1 4 ILE CA 1 4 ILE C 1 5 VAL N -59.10 -19.10 -31.80 -23.68 -42.14 . . 0 "[ . 1]"
5 . 1 4 ILE C 1 5 VAL N 1 5 VAL CA 1 5 VAL C -90.60 -50.60 -83.43 -92.39 -67.93 1.79 7 0 "[ . 1]"
6 . 1 5 VAL N 1 5 VAL CA 1 5 VAL C 1 6 ASP N -55.60 -15.60 -36.53 -37.32 -34.32 . . 0 "[ . 1]"
7 . 1 5 VAL C 1 6 ASP N 1 6 ASP CA 1 6 ASP C -82.40 -42.40 -55.92 -59.23 -50.05 . . 0 "[ . 1]"
8 . 1 6 ASP N 1 6 ASP CA 1 6 ASP C 1 7 ILE N -62.70 -22.70 -46.83 -50.93 -44.33 . . 0 "[ . 1]"
9 . 1 6 ASP C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -85.80 -45.80 -56.69 -59.48 -53.86 . . 0 "[ . 1]"
10 . 1 7 ILE N 1 7 ILE CA 1 7 ILE C 1 8 ALA N -62.60 -22.60 -22.52 -22.31 -24.76 1.14 5 0 "[ . 1]"
11 . 1 7 ILE C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -82.90 -42.90 -61.19 -58.55 -59.91 . . 0 "[ . 1]"
12 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 VAL N -64.30 -24.30 -35.18 -37.77 -38.07 . . 0 "[ . 1]"
13 . 1 8 ALA C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -106.40 -48.00 -81.16 -74.48 -79.15 . . 0 "[ . 1]"
14 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 ASN N -53.80 -9.80 -21.41 -34.85 -9.50 0.30 3 0 "[ . 1]"
15 . 1 9 VAL C 1 10 ASN N 1 10 ASN CA 1 10 ASN C -109.60 -66.20 -85.09 -87.26 -89.84 . . 0 "[ . 1]"
16 . 1 10 ASN N 1 10 ASN CA 1 10 ASN C 1 11 THR N -24.10 15.90 -24.14 -25.45 -14.72 1.35 8 0 "[ . 1]"
17 . 1 12 PRO C 1 13 GLY N 1 13 GLY CA 1 13 GLY C 49.70 110.30 74.80 75.25 74.50 . . 0 "[ . 1]"
18 . 1 13 GLY N 1 13 GLY CA 1 13 GLY C 1 14 PHE N -41.00 46.20 46.54 47.34 47.04 1.21 9 0 "[ . 1]"
19 . 1 13 GLY C 1 14 PHE N 1 14 PHE CA 1 14 PHE C -112.40 -53.40 -65.11 -67.14 -58.46 . . 0 "[ . 1]"
20 . 1 14 PHE N 1 14 PHE CA 1 14 PHE C 1 15 SER N 85.20 -160.80 -172.62 -170.72 -172.15 . . 0 "[ . 1]"
21 . 1 15 SER C 1 16 THR N 1 16 THR CA 1 16 THR C -84.90 -44.90 -60.72 -61.94 -62.58 . . 0 "[ . 1]"
22 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 LEU N -60.10 -20.10 -18.67 -19.03 -19.23 2.15 4 0 "[ . 1]"
23 . 1 16 THR C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -81.60 -41.60 -53.80 -57.98 -51.79 . . 0 "[ . 1]"
24 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 VAL N -61.80 -21.80 -34.96 -33.57 -34.85 . . 0 "[ . 1]"
25 . 1 17 LEU C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -78.90 -38.90 -80.53 -79.18 -79.93 4.36 7 0 "[ . 1]"
26 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 THR N -64.20 -24.20 -29.50 -39.09 -27.15 . . 0 "[ . 1]"
27 . 1 18 VAL C 1 19 THR N 1 19 THR CA 1 19 THR C -86.60 -46.60 -80.67 -83.52 -68.90 . . 0 "[ . 1]"
28 . 1 19 THR N 1 19 THR CA 1 19 THR C 1 20 ALA N -61.80 -21.80 -27.84 -29.74 -25.70 . . 0 "[ . 1]"
29 . 1 19 THR C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -83.80 -43.80 -62.82 -66.98 -61.13 . . 0 "[ . 1]"
30 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 VAL N -59.90 -19.90 -35.66 -33.53 -35.07 . . 0 "[ . 1]"
31 . 1 20 ALA C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -81.50 -41.50 -78.12 -81.44 -74.75 . . 0 "[ . 1]"
32 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 LYS N -64.50 -24.50 -36.99 -37.69 -36.10 . . 0 "[ . 1]"
33 . 1 21 VAL C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -83.20 -43.20 -61.65 -62.50 -62.93 . . 0 "[ . 1]"
34 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 VAL N -66.00 -10.20 -42.26 -44.16 -39.90 . . 0 "[ . 1]"
35 . 1 22 LYS C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -83.10 -43.10 -75.12 -75.42 -77.11 . . 0 "[ . 1]"
36 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 ALA N -58.70 -18.70 -35.46 -36.30 -34.13 . . 0 "[ . 1]"
37 . 1 23 VAL C 1 24 ALA N 1 24 ALA CA 1 24 ALA C -102.30 -62.30 -74.66 -75.31 -76.17 . . 0 "[ . 1]"
38 . 1 24 ALA N 1 24 ALA CA 1 24 ALA C 1 25 ASN N -31.10 20.10 -5.19 -8.04 -1.58 . . 0 "[ . 1]"
39 . 1 24 ALA C 1 25 ASN N 1 25 ASN CA 1 25 ASN C 37.50 89.90 69.92 67.28 66.84 . . 0 "[ . 1]"
40 . 1 25 ASN N 1 25 ASN CA 1 25 ASN C 1 26 LEU N 10.00 56.00 11.54 8.46 16.96 1.54 3 0 "[ . 1]"
41 . 1 25 ASN C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -140.70 -58.30 -88.05 -89.95 -91.46 . . 0 "[ . 1]"
42 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 VAL N -24.70 31.30 7.84 8.97 7.62 . . 0 "[ . 1]"
43 . 1 26 LEU C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -77.10 -37.10 -58.24 -58.14 -59.41 . . 0 "[ . 1]"
44 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 GLU N -68.50 -27.30 -36.96 -37.66 -36.01 . . 0 "[ . 1]"
45 . 1 27 VAL C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -85.20 -45.20 -85.64 -86.21 -84.75 1.01 5 0 "[ . 1]"
46 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 ALA N -60.30 -19.30 -20.39 -22.16 -17.71 1.59 9 0 "[ . 1]"
47 . 1 28 GLU C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -83.60 -43.60 -77.40 -76.28 -78.18 . . 0 "[ . 1]"
48 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 LEU N -57.80 -17.80 -54.77 -58.49 -52.41 0.69 9 0 "[ . 1]"
49 . 1 29 ALA C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -90.30 -49.50 -57.43 -58.76 -59.36 . . 0 "[ . 1]"
50 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 GLN N -55.80 4.80 -12.44 -15.35 -5.65 . . 0 "[ . 1]"
51 . 1 30 LEU C 1 31 GLN N 1 31 GLN CA 1 31 GLN C -121.50 -58.70 -67.61 -66.52 -67.97 . . 0 "[ . 1]"
52 . 1 31 GLN N 1 31 GLN CA 1 31 GLN C 1 32 SER N -51.90 43.50 -5.21 -5.75 -8.47 . . 0 "[ . 1]"
53 . 1 31 GLN C 1 32 SER N 1 32 SER CA 1 32 SER C -120.90 -44.50 -57.51 -51.92 -54.15 . . 0 "[ . 1]"
54 . 1 32 SER N 1 32 SER CA 1 32 SER C 1 33 PRO N 92.40 167.00 110.98 95.27 115.84 . . 0 "[ . 1]"
55 . 1 32 SER C 1 33 PRO N 1 33 PRO CA 1 33 PRO C -79.70 -39.50 -80.60 -81.48 -78.56 1.78 5 0 "[ . 1]"
56 . 1 33 PRO N 1 33 PRO CA 1 33 PRO C 1 34 GLY N -46.70 -6.70 -14.71 -20.29 -8.01 . . 0 "[ . 1]"
57 . 1 34 GLY C 1 35 PRO N 1 35 PRO CA 1 35 PRO C -86.70 -46.70 -79.54 -80.78 -84.20 . . 0 "[ . 1]"
58 . 1 35 PRO N 1 35 PRO CA 1 35 PRO C 1 36 PHE N 130.90 170.90 164.66 154.26 170.94 0.04 6 0 "[ . 1]"
59 . 1 35 PRO C 1 36 PHE N 1 36 PHE CA 1 36 PHE C -160.10 -89.50 -137.74 -134.22 -136.62 . . 0 "[ . 1]"
60 . 1 36 PHE N 1 36 PHE CA 1 36 PHE C 1 37 THR N 123.00 167.40 122.73 122.71 122.70 1.67 4 0 "[ . 1]"
61 . 1 36 PHE C 1 37 THR N 1 37 THR CA 1 37 THR C -147.50 -79.50 -113.92 -126.83 -104.03 . . 0 "[ . 1]"
62 . 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 VAL N 98.00 140.80 122.21 136.21 124.23 . . 0 "[ . 1]"
63 . 1 38 VAL C 1 39 PHE N 1 39 PHE CA 1 39 PHE C -128.10 -84.10 -98.44 -112.26 -82.86 1.24 1 0 "[ . 1]"
64 . 1 39 PHE N 1 39 PHE CA 1 39 PHE C 1 40 ALA N 103.60 144.60 110.52 106.94 116.27 . . 0 "[ . 1]"
65 . 1 39 PHE C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -165.50 -60.10 -97.82 -105.65 -91.35 . . 0 "[ . 1]"
66 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 PRO N 87.10 178.50 116.84 113.33 112.39 . . 0 "[ . 1]"
67 . 1 40 ALA C 1 41 PRO N 1 41 PRO CA 1 41 PRO C -90.10 -50.10 -75.91 -79.91 -69.79 . . 0 "[ . 1]"
68 . 1 41 PRO N 1 41 PRO CA 1 41 PRO C 1 42 ASN N 125.70 165.70 129.42 125.13 136.47 0.57 7 0 "[ . 1]"
69 . 1 41 PRO C 1 42 ASN N 1 42 ASN CA 1 42 ASN C -142.70 -50.70 -78.51 -85.87 -72.16 . . 0 "[ . 1]"
70 . 1 42 ASN N 1 42 ASN CA 1 42 ASN C 1 43 ASP N 104.70 -151.70 -178.11 173.27 -172.50 . . 0 "[ . 1]"
71 . 1 42 ASN C 1 43 ASP N 1 43 ASP CA 1 43 ASP C -79.00 -39.00 -56.82 -59.77 -64.82 . . 0 "[ . 1]"
72 . 1 43 ASP N 1 43 ASP CA 1 43 ASP C 1 44 ASP N -57.90 -17.90 -32.63 -27.05 -27.13 . . 0 "[ . 1]"
73 . 1 43 ASP C 1 44 ASP N 1 44 ASP CA 1 44 ASP C -87.10 -47.10 -82.61 -83.85 -87.41 1.24 1 0 "[ . 1]"
74 . 1 44 ASP N 1 44 ASP CA 1 44 ASP C 1 45 ALA N -60.60 -20.60 -21.32 -24.18 -19.45 1.15 3 0 "[ . 1]"
75 . 1 44 ASP C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -84.30 -44.30 -80.87 -81.79 -84.37 1.03 10 0 "[ . 1]"
76 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 PHE N -60.80 -20.80 -37.04 -40.93 -33.27 . . 0 "[ . 1]"
77 . 1 45 ALA C 1 46 PHE N 1 46 PHE CA 1 46 PHE C -83.10 -43.10 -61.53 -60.15 -61.34 . . 0 "[ . 1]"
78 . 1 46 PHE N 1 46 PHE CA 1 46 PHE C 1 47 ALA N -61.80 -21.80 -22.56 -26.02 -19.97 1.83 10 0 "[ . 1]"
79 . 1 46 PHE C 1 47 ALA N 1 47 ALA CA 1 47 ALA C -85.70 -45.70 -83.89 -86.35 -80.94 0.65 2 0 "[ . 1]"
80 . 1 47 ALA N 1 47 ALA CA 1 47 ALA C 1 48 LYS N -57.40 -9.20 -13.23 -22.57 -8.70 0.50 4 0 "[ . 1]"
81 . 1 47 ALA C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -103.10 -63.10 -81.82 -87.30 -88.42 1.71 5 0 "[ . 1]"
82 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 LEU N -55.90 4.30 -31.24 -24.59 -25.14 . . 0 "[ . 1]"
83 . 1 52 GLY C 1 53 THR N 1 53 THR CA 1 53 THR C -82.80 -42.80 -64.27 -82.86 -56.89 0.06 8 0 "[ . 1]"
84 . 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 ILE N -62.40 -22.40 -54.94 -54.35 -56.98 . . 0 "[ . 1]"
85 . 1 53 THR C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -82.50 -42.50 -58.57 -58.02 -58.19 . . 0 "[ . 1]"
86 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 THR N -65.70 -25.70 -24.82 -25.27 -25.53 1.98 8 0 "[ . 1]"
87 . 1 54 ILE C 1 55 THR N 1 55 THR CA 1 55 THR C -82.10 -42.10 -61.95 -66.74 -55.36 . . 0 "[ . 1]"
88 . 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 SER N -63.60 -23.60 -36.35 -38.47 -40.59 . . 0 "[ . 1]"
89 . 1 55 THR C 1 56 SER N 1 56 SER CA 1 56 SER C -83.20 -43.20 -81.02 -83.56 -77.81 0.36 3 0 "[ . 1]"
90 . 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 LEU N -62.60 -22.60 -27.05 -27.59 -29.65 . . 0 "[ . 1]"
91 . 1 56 SER C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -84.10 -44.10 -73.17 -77.92 -66.80 . . 0 "[ . 1]"
92 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 VAL N -66.10 -26.10 -25.45 -25.71 -26.01 6.71 9 2 "[ - . +1]"
93 . 1 57 LEU C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -95.30 -53.70 -80.62 -79.38 -80.01 . . 0 "[ . 1]"
94 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 GLN N -62.40 -6.20 -27.95 -31.49 -21.02 . . 0 "[ . 1]"
95 . 1 58 VAL C 1 59 GLN N 1 59 GLN CA 1 59 GLN C -111.30 -66.30 -70.96 -73.55 -64.12 2.18 3 0 "[ . 1]"
96 . 1 59 GLN N 1 59 GLN CA 1 59 GLN C 1 60 ASN N -45.20 31.40 -31.47 -47.55 -25.54 2.35 9 0 "[ . 1]"
97 . 1 59 GLN C 1 60 ASN N 1 60 ASN CA 1 60 ASN C -167.90 -68.50 -91.10 -162.90 -71.58 . . 0 "[ . 1]"
98 . 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 PRO N 23.00 160.40 160.51 169.39 168.64 12.71 9 10 [********+-]
99 . 1 60 ASN C 1 61 PRO N 1 61 PRO CA 1 61 PRO C -90.30 -41.30 -48.37 -37.45 -38.16 4.24 2 0 "[ . 1]"
100 . 1 61 PRO N 1 61 PRO CA 1 61 PRO C 1 62 PRO N 124.80 166.60 165.51 170.57 169.47 3.97 2 0 "[ . 1]"
101 . 1 61 PRO C 1 62 PRO N 1 62 PRO CA 1 62 PRO C -75.00 -35.00 -43.13 -39.40 -40.03 1.55 10 0 "[ . 1]"
102 . 1 62 PRO N 1 62 PRO CA 1 62 PRO C 1 63 GLN N -52.10 -12.10 -10.91 -17.31 -8.21 3.89 4 0 "[ . 1]"
103 . 1 62 PRO C 1 63 GLN N 1 63 GLN CA 1 63 GLN C -84.30 -44.30 -43.98 -41.67 -42.20 2.65 10 0 "[ . 1]"
104 . 1 63 GLN N 1 63 GLN CA 1 63 GLN C 1 64 LEU N -60.30 -16.70 -23.76 -29.75 -17.80 . . 0 "[ . 1]"
105 . 1 63 GLN C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -84.80 -44.80 -46.95 -52.25 -44.39 0.41 8 0 "[ . 1]"
106 . 1 64 LEU N 1 64 LEU CA 1 64 LEU C 1 65 GLY N -60.80 -16.20 -50.05 -50.89 -50.98 . . 0 "[ . 1]"
107 . 1 64 LEU C 1 65 GLY N 1 65 GLY CA 1 65 GLY C -81.50 -41.50 -51.18 -50.29 -51.72 . . 0 "[ . 1]"
108 . 1 65 GLY N 1 65 GLY CA 1 65 GLY C 1 66 ARG N -59.70 -18.70 -34.40 -44.71 -29.70 . . 0 "[ . 1]"
109 . 1 65 GLY C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -79.80 -39.80 -75.10 -80.63 -69.25 0.83 3 0 "[ . 1]"
110 . 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 ILE N -65.50 -25.50 -41.29 -40.10 -49.29 . . 0 "[ . 1]"
111 . 1 66 ARG C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -83.30 -43.30 -56.45 -69.45 -44.41 . . 0 "[ . 1]"
112 . 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 LEU N -58.70 -18.70 -47.84 -48.99 -51.71 . . 0 "[ . 1]"
113 . 1 67 ILE C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -86.10 -46.10 -48.41 -45.92 -47.19 0.46 7 0 "[ . 1]"
114 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 LYS N -61.10 -21.10 -60.42 -63.00 -64.09 3.99 10 0 "[ . 1]"
115 . 1 68 LEU C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -86.60 -46.60 -86.33 -89.44 -81.76 2.84 10 0 "[ . 1]"
116 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 TYR N -58.10 -18.10 -63.33 -60.01 -61.94 11.10 10 3 "[ - * +]"
117 . 1 69 LYS C 1 70 TYR N 1 70 TYR CA 1 70 TYR C -120.20 -70.20 -124.11 -121.13 -122.13 6.26 10 3 "[ - * +]"
118 . 1 70 TYR N 1 70 TYR CA 1 70 TYR C 1 71 HIS N -16.50 43.70 -7.33 -16.90 18.58 0.40 8 0 "[ . 1]"
119 . 1 70 TYR C 1 71 HIS N 1 71 HIS CA 1 71 HIS C 40.70 80.70 59.61 59.24 43.99 . . 0 "[ . 1]"
120 . 1 71 HIS N 1 71 HIS CA 1 71 HIS C 1 72 VAL N -1.90 62.10 39.42 30.98 53.35 . . 0 "[ . 1]"
121 . 1 71 HIS C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -143.10 -93.30 -111.79 -94.47 -105.25 . . 0 "[ . 1]"
122 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 VAL N 114.60 159.20 158.52 154.89 160.44 1.24 6 0 "[ . 1]"
123 . 1 72 VAL C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -148.20 -108.20 -132.28 -141.43 -125.14 . . 0 "[ . 1]"
124 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 ALA N 113.40 165.60 127.72 119.77 135.67 . . 0 "[ . 1]"
125 . 1 73 VAL C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -104.90 -64.90 -66.55 -64.58 -64.73 0.38 2 0 "[ . 1]"
126 . 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 GLY N 105.00 153.80 142.63 138.84 146.36 . . 0 "[ . 1]"
127 . 1 75 GLY C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -141.70 -57.10 -59.65 -57.22 -58.78 0.88 6 0 "[ . 1]"
128 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 TYR N 77.20 157.60 103.35 102.67 102.26 . . 0 "[ . 1]"
129 . 1 76 ALA C 1 77 TYR N 1 77 TYR CA 1 77 TYR C -150.60 -59.80 -115.37 -121.03 -95.66 . . 0 "[ . 1]"
130 . 1 77 TYR N 1 77 TYR CA 1 77 TYR C 1 78 LYS N 107.20 148.40 121.92 106.84 147.72 0.36 2 0 "[ . 1]"
131 . 1 77 TYR C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -108.30 -46.70 -78.82 -65.77 -75.31 2.43 6 0 "[ . 1]"
132 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 ALA N 108.80 -179.40 160.17 152.75 165.42 . . 0 "[ . 1]"
133 . 1 78 LYS C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -75.60 -35.60 -52.15 -61.35 -47.21 . . 0 "[ . 1]"
134 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 THR N -70.50 -25.30 -31.49 -38.35 -23.64 1.66 3 0 "[ . 1]"
135 . 1 79 ALA C 1 80 THR N 1 80 THR CA 1 80 THR C -78.30 -38.30 -73.48 -76.48 -71.29 . . 0 "[ . 1]"
136 . 1 80 THR N 1 80 THR CA 1 80 THR C 1 81 ASP N -63.10 -23.10 -27.06 -31.38 -23.99 . . 0 "[ . 1]"
137 . 1 80 THR C 1 81 ASP N 1 81 ASP CA 1 81 ASP C -84.60 -44.60 -72.89 -69.29 -72.38 . . 0 "[ . 1]"
138 . 1 81 ASP N 1 81 ASP CA 1 81 ASP C 1 82 LEU N -62.60 -22.60 -45.22 -35.53 -40.17 . . 0 "[ . 1]"
139 . 1 81 ASP C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -84.90 -44.90 -59.34 -66.34 -54.38 . . 0 "[ . 1]"
140 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 LYS N -61.60 -21.60 -50.91 -50.55 -50.69 . . 0 "[ . 1]"
141 . 1 82 LEU C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -83.70 -43.70 -67.55 -68.08 -68.47 . . 0 "[ . 1]"
142 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 ARG N -61.40 -21.40 -33.07 -30.62 -32.04 . . 0 "[ . 1]"
143 . 1 83 LYS C 1 84 ARG N 1 84 ARG CA 1 84 ARG C -86.80 -46.80 -54.63 -58.26 -51.04 . . 0 "[ . 1]"
144 . 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 MET N -60.60 -20.60 -40.04 -32.47 -38.07 . . 0 "[ . 1]"
145 . 1 84 ARG C 1 85 MET N 1 85 MET CA 1 85 MET C -109.70 -58.70 -79.88 -87.70 -73.29 . . 0 "[ . 1]"
146 . 1 85 MET N 1 85 MET CA 1 85 MET C 1 86 GLY N -46.60 9.60 -40.66 -45.00 -35.24 . . 0 "[ . 1]"
147 . 1 85 MET C 1 86 GLY N 1 86 GLY CA 1 86 GLY C 55.80 104.80 81.96 77.87 88.85 . . 0 "[ . 1]"
148 . 1 86 GLY N 1 86 GLY CA 1 86 GLY C 1 87 ILE N -17.30 47.30 11.16 14.32 12.82 . . 0 "[ . 1]"
149 . 1 86 GLY C 1 87 ILE N 1 87 ILE CA 1 87 ILE C -159.80 -78.40 -163.29 -164.39 -162.64 4.59 2 0 "[ . 1]"
150 . 1 87 ILE N 1 87 ILE CA 1 87 ILE C 1 88 VAL N 137.30 177.30 158.29 159.14 158.31 . . 0 "[ . 1]"
151 . 1 87 ILE C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -169.80 -112.20 -131.89 -131.97 -132.03 . . 0 "[ . 1]"
152 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 THR N 128.00 171.00 140.32 137.92 144.09 . . 0 "[ . 1]"
153 . 1 88 VAL C 1 89 THR N 1 89 THR CA 1 89 THR C -154.50 -73.90 -109.68 -107.37 -108.93 . . 0 "[ . 1]"
154 . 1 89 THR N 1 89 THR CA 1 89 THR C 1 90 SER N 101.40 144.00 131.49 126.27 135.94 . . 0 "[ . 1]"
155 . 1 89 THR C 1 90 SER N 1 90 SER CA 1 90 SER C -131.50 -31.30 -72.66 -68.45 -68.93 . . 0 "[ . 1]"
156 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 LEU N 122.80 -166.60 166.86 162.41 178.27 . . 0 "[ . 1]"
157 . 1 90 SER C 1 91 LEU N 1 91 LEU CA 1 91 LEU C -79.20 -39.20 -54.70 -52.82 -55.38 . . 0 "[ . 1]"
158 . 1 91 LEU N 1 91 LEU CA 1 91 LEU C 1 92 GLU N -48.10 -8.10 -35.60 -39.35 -30.15 . . 0 "[ . 1]"
159 . 1 91 LEU C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -95.50 -55.50 -78.27 -79.37 -81.40 . . 0 "[ . 1]"
160 . 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 GLY N -48.60 15.60 -22.73 -28.71 -12.31 . . 0 "[ . 1]"
161 . 1 93 GLY C 1 94 SER N 1 94 SER CA 1 94 SER C -97.00 -49.80 -83.07 -83.44 -86.86 . . 0 "[ . 1]"
162 . 1 94 SER N 1 94 SER CA 1 94 SER C 1 95 THR N 124.50 168.10 120.40 118.45 122.29 6.05 3 2 "[ + . -]"
163 . 1 94 SER C 1 95 THR N 1 95 THR CA 1 95 THR C -155.70 -65.50 -86.77 -86.78 -90.34 . . 0 "[ . 1]"
164 . 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 ILE N 125.40 175.00 138.55 138.06 138.01 . . 0 "[ . 1]"
165 . 1 95 THR C 1 96 ILE N 1 96 ILE CA 1 96 ILE C -146.20 -99.00 -129.03 -133.99 -122.23 . . 0 "[ . 1]"
166 . 1 96 ILE N 1 96 ILE CA 1 96 ILE C 1 97 PRO N 83.80 178.20 127.29 125.99 130.08 . . 0 "[ . 1]"
167 . 1 96 ILE C 1 97 PRO N 1 97 PRO CA 1 97 PRO C -91.00 -50.40 -70.97 -69.16 -70.39 . . 0 "[ . 1]"
168 . 1 97 PRO N 1 97 PRO CA 1 97 PRO C 1 98 ILE N 125.40 167.80 132.22 133.24 132.30 . . 0 "[ . 1]"
169 . 1 97 PRO C 1 98 ILE N 1 98 ILE CA 1 98 ILE C -147.70 -60.10 -97.89 -103.25 -94.53 . . 0 "[ . 1]"
170 . 1 98 ILE N 1 98 ILE CA 1 98 ILE C 1 99 HIS N 89.80 165.80 137.31 138.00 136.14 . . 0 "[ . 1]"
171 . 1 98 ILE C 1 99 HIS N 1 99 HIS CA 1 99 HIS C -164.70 -92.90 -130.88 -141.19 -120.86 . . 0 "[ . 1]"
172 . 1 99 HIS N 1 99 HIS CA 1 99 HIS C 1 100 GLY N 135.10 175.10 179.58 177.30 -178.81 6.09 7 5 "[* - * + *1]"
173 . 1 100 GLY C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -118.70 -51.90 -89.19 -104.57 -73.89 . . 0 "[ . 1]"
174 . 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 ASN N -53.60 15.40 -47.89 -54.14 -35.36 0.54 2 0 "[ . 1]"
175 . 1 102 ASN C 1 103 PRO N 1 103 PRO CA 1 103 PRO C -89.80 -49.80 -88.37 -90.70 -84.90 0.90 5 0 "[ . 1]"
176 . 1 103 PRO N 1 103 PRO CA 1 103 PRO C 1 104 LEU N 131.60 171.60 173.71 173.61 173.28 2.59 4 0 "[ . 1]"
177 . 1 103 PRO C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -140.00 -61.40 -74.78 -80.02 -72.80 . . 0 "[ . 1]"
178 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 GLU N 88.80 173.60 153.44 154.53 154.35 . . 0 "[ . 1]"
179 . 1 104 LEU C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -146.20 -68.80 -138.43 -140.99 -130.96 . . 0 "[ . 1]"
180 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 VAL N 107.40 167.40 112.50 106.33 127.86 1.07 7 0 "[ . 1]"
181 . 1 105 GLU C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -152.20 -70.20 -112.59 -112.98 -119.39 . . 0 "[ . 1]"
182 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 LYS N 94.50 179.70 119.29 106.01 132.28 . . 0 "[ . 1]"
183 . 1 106 VAL C 1 107 LYS N 1 107 LYS CA 1 107 LYS C 6.70 86.70 49.29 48.30 46.90 . . 0 "[ . 1]"
184 . 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 ASN N -178.00 -58.00 -103.83 -82.19 -106.99 . . 0 "[ . 1]"
185 . 1 108 ASN C 1 109 ALA N 1 109 ALA CA 1 109 ALA C -144.60 -75.20 -120.43 -129.25 -104.13 . . 0 "[ . 1]"
186 . 1 109 ALA N 1 109 ALA CA 1 109 ALA C 1 110 THR N 118.10 166.10 163.61 157.51 166.48 0.38 10 0 "[ . 1]"
187 . 1 109 ALA C 1 110 THR N 1 110 THR CA 1 110 THR C -128.70 -58.50 -126.54 -122.33 -125.46 0.45 5 0 "[ . 1]"
188 . 1 110 THR N 1 110 THR CA 1 110 THR C 1 111 VAL N 107.40 150.20 135.68 131.24 140.89 . . 0 "[ . 1]"
189 . 1 110 THR C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -104.40 -64.40 -81.56 -81.02 -82.98 . . 0 "[ . 1]"
190 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 LEU N 90.10 163.10 128.00 127.45 126.80 . . 0 "[ . 1]"
191 . 1 111 VAL C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -116.90 -74.90 -89.94 -89.03 -89.40 . . 0 "[ . 1]"
192 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 ALA N -55.90 -15.90 -38.99 -46.79 -32.87 . . 0 "[ . 1]"
193 . 1 112 LEU C 1 113 ALA N 1 113 ALA CA 1 113 ALA C 157.40 -75.60 -154.88 -153.07 -157.01 . . 0 "[ . 1]"
194 . 1 113 ALA N 1 113 ALA CA 1 113 ALA C 1 114 ALA N 109.60 170.60 115.16 110.53 118.76 . . 0 "[ . 1]"
195 . 1 113 ALA C 1 114 ALA N 1 114 ALA CA 1 114 ALA C -156.50 -83.50 -136.47 -133.04 -134.79 . . 0 "[ . 1]"
196 . 1 114 ALA N 1 114 ALA CA 1 114 ALA C 1 115 ASP N 121.70 -177.10 -174.12 -173.88 -174.21 3.85 10 0 "[ . 1]"
197 . 1 114 ALA C 1 115 ASP N 1 115 ASP CA 1 115 ASP C 31.20 71.20 69.44 71.15 69.84 0.38 8 0 "[ . 1]"
198 . 1 115 ASP N 1 115 ASP CA 1 115 ASP C 1 116 ILE N 28.70 68.70 27.55 28.34 27.15 3.05 6 0 "[ . 1]"
199 . 1 115 ASP C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -113.40 -49.40 -89.32 -95.14 -85.00 . . 0 "[ . 1]"
200 . 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 GLU N 112.20 154.80 111.57 109.66 109.09 6.28 4 1 "[ +. 1]"
201 . 1 116 ILE C 1 117 GLU N 1 117 GLU CA 1 117 GLU C -120.60 -68.40 -67.66 -68.48 -68.58 2.16 7 0 "[ . 1]"
202 . 1 117 GLU N 1 117 GLU CA 1 117 GLU C 1 118 ALA N 106.60 150.00 108.74 114.34 110.97 0.58 1 0 "[ . 1]"
203 . 1 117 GLU C 1 118 ALA N 1 118 ALA CA 1 118 ALA C -150.90 -79.70 -80.72 -80.27 -81.38 0.72 8 0 "[ . 1]"
204 . 1 118 ALA N 1 118 ALA CA 1 118 ALA C 1 119 GLU N 124.50 -162.70 -176.52 -175.17 -177.05 . . 0 "[ . 1]"
205 . 1 118 ALA C 1 119 GLU N 1 119 GLU CA 1 119 GLU C -82.80 -42.80 -48.44 -53.25 -43.98 . . 0 "[ . 1]"
206 . 1 119 GLU N 1 119 GLU CA 1 119 GLU C 1 120 ASN N -53.10 -13.10 -51.10 -51.49 -51.73 0.41 5 0 "[ . 1]"
207 . 1 119 GLU C 1 120 ASN N 1 120 ASN CA 1 120 ASN C -117.50 -77.50 -118.61 -115.23 -117.78 3.08 9 0 "[ . 1]"
208 . 1 120 ASN N 1 120 ASN CA 1 120 ASN C 1 121 GLY N -21.40 38.40 -15.05 -20.57 -9.36 . . 0 "[ . 1]"
209 . 1 121 GLY C 1 122 ILE N 1 122 ILE CA 1 122 ILE C -157.20 -73.40 -144.33 -146.56 -141.06 . . 0 "[ . 1]"
210 . 1 122 ILE N 1 122 ILE CA 1 122 ILE C 1 123 ILE N 120.80 164.20 147.18 146.66 145.08 . . 0 "[ . 1]"
211 . 1 122 ILE C 1 123 ILE N 1 123 ILE CA 1 123 ILE C -149.50 -98.30 -117.99 -128.58 -112.11 . . 0 "[ . 1]"
212 . 1 123 ILE N 1 123 ILE CA 1 123 ILE C 1 124 HIS N 117.70 165.50 147.92 143.43 151.17 . . 0 "[ . 1]"
213 . 1 123 ILE C 1 124 HIS N 1 124 HIS CA 1 124 HIS C -147.90 -97.10 -140.33 -138.35 -148.11 0.89 1 0 "[ . 1]"
214 . 1 124 HIS N 1 124 HIS CA 1 124 HIS C 1 125 VAL N 112.00 156.00 115.78 116.40 115.17 . . 0 "[ . 1]"
215 . 1 124 HIS C 1 125 VAL N 1 125 VAL CA 1 125 VAL C -119.20 -66.40 -81.14 -83.31 -78.46 . . 0 "[ . 1]"
216 . 1 125 VAL N 1 125 VAL CA 1 125 VAL C 1 126 ILE N 110.20 158.20 128.61 126.87 130.09 . . 0 "[ . 1]"
217 . 1 125 VAL C 1 126 ILE N 1 126 ILE CA 1 126 ILE C -161.10 -102.30 -124.72 -128.74 -120.97 . . 0 "[ . 1]"
218 . 1 126 ILE N 1 126 ILE CA 1 126 ILE C 1 127 ASP N 143.30 -176.70 162.42 161.76 160.51 . . 0 "[ . 1]"
219 . 1 127 ASP C 1 128 THR N 1 128 THR CA 1 128 THR C 176.10 -59.90 -158.67 -148.92 -154.51 . . 0 "[ . 1]"
220 . 1 128 THR N 1 128 THR CA 1 128 THR C 1 129 VAL N 119.30 173.10 128.91 123.39 134.50 . . 0 "[ . 1]"
221 . 1 128 THR C 1 129 VAL N 1 129 VAL CA 1 129 VAL C -108.20 -66.40 -76.25 -84.29 -65.54 0.86 9 0 "[ . 1]"
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