NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
538486 |
2lrn   |
18387 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lrn
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 186
_TA_constraint_stats_list.Viol_count 283
_TA_constraint_stats_list.Viol_total 5902.77
_TA_constraint_stats_list.Viol_max 5.07
_TA_constraint_stats_list.Viol_rms 0.38
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 1.04
_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 7 SER C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -126.00 -70.00 -72.46 -82.56 -69.04 0.96 7 0 "[ . 1 . 2]"
2 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 ALA N 105.00 145.00 134.34 126.77 141.56 . . 0 "[ . 1 . 2]"
3 . 1 8 VAL C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -130.00 -54.00 -92.08 -89.53 -91.63 . . 0 "[ . 1 . 2]"
4 . 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 PRO N 86.00 -178.00 140.52 144.04 142.21 . . 0 "[ . 1 . 2]"
5 . 1 9 ALA C 1 10 PRO N 1 10 PRO CA 1 10 PRO C -80.00 -40.00 -60.90 -67.05 -52.14 . . 0 "[ . 1 . 2]"
6 . 1 10 PRO N 1 10 PRO CA 1 10 PRO C 1 11 ALA N 122.00 162.00 157.28 134.10 163.53 1.53 19 0 "[ . 1 . 2]"
7 . 1 10 PRO C 1 11 ALA N 1 11 ALA CA 1 11 ALA C -117.00 -53.00 -83.04 -74.62 -80.78 . . 0 "[ . 1 . 2]"
8 . 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 THR N 130.00 170.00 138.84 129.35 150.64 0.65 14 0 "[ . 1 . 2]"
9 . 1 12 ILE C 1 13 THR N 1 13 THR CA 1 13 THR C -142.00 -86.00 -128.74 -142.97 -115.74 0.97 15 0 "[ . 1 . 2]"
10 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 GLY N 88.00 180.00 103.93 97.87 94.23 0.54 20 0 "[ . 1 . 2]"
11 . 1 13 THR C 1 14 GLY N 1 14 GLY CA 1 14 GLY C -180.00 -76.00 -123.34 -112.37 -115.78 . . 0 "[ . 1 . 2]"
12 . 1 14 GLY N 1 14 GLY CA 1 14 GLY C 1 15 ILE N 115.00 -177.00 165.09 175.90 172.67 0.77 2 0 "[ . 1 . 2]"
13 . 1 14 GLY C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -142.00 -74.00 -95.40 -114.00 -79.73 . . 0 "[ . 1 . 2]"
14 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 ASP N 108.00 148.00 123.87 135.51 132.44 . . 0 "[ . 1 . 2]"
15 . 1 15 ILE C 1 16 ASP N 1 16 ASP CA 1 16 ASP C -129.00 -57.00 -80.10 -101.29 -70.95 . . 0 "[ . 1 . 2]"
16 . 1 16 ASP N 1 16 ASP CA 1 16 ASP C 1 17 LEU N 124.00 -148.00 -175.74 -173.13 -173.56 . . 0 "[ . 1 . 2]"
17 . 1 20 ASN C 1 21 SER N 1 21 SER CA 1 21 SER C -128.00 -44.00 -81.41 -87.04 -76.82 . . 0 "[ . 1 . 2]"
18 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 VAL N 91.00 151.00 100.00 107.31 106.01 0.42 10 0 "[ . 1 . 2]"
19 . 1 21 SER C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -136.00 -84.00 -105.60 -119.77 -97.29 . . 0 "[ . 1 . 2]"
20 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 SER N 109.00 165.00 143.44 137.08 135.70 1.14 10 0 "[ . 1 . 2]"
21 . 1 22 VAL C 1 23 SER N 1 23 SER CA 1 23 SER C -143.00 -59.00 -108.99 -106.39 -107.49 . . 0 "[ . 1 . 2]"
22 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 LEU N 60.00 -160.00 167.57 155.76 -176.83 . . 0 "[ . 1 . 2]"
23 . 1 23 SER C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -80.00 -40.00 -67.21 -80.42 -56.97 0.42 2 0 "[ . 1 . 2]"
24 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 ASN N -63.00 -7.00 -23.45 -24.71 -27.12 . . 0 "[ . 1 . 2]"
25 . 1 24 LEU C 1 25 ASN N 1 25 ASN CA 1 25 ASN C -87.00 -47.00 -66.29 -71.68 -60.79 . . 0 "[ . 1 . 2]"
26 . 1 25 ASN N 1 25 ASN CA 1 25 ASN C 1 26 ASP N -58.00 -18.00 -25.84 -35.52 -16.90 1.10 10 0 "[ . 1 . 2]"
27 . 1 25 ASN C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -90.00 -50.00 -71.27 -64.66 -68.37 . . 0 "[ . 1 . 2]"
28 . 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 PHE N -57.00 -5.00 -18.98 -36.56 -4.05 0.95 14 0 "[ . 1 . 2]"
29 . 1 26 ASP C 1 27 PHE N 1 27 PHE CA 1 27 PHE C -125.00 -73.00 -108.89 -110.84 -112.10 . . 0 "[ . 1 . 2]"
30 . 1 27 PHE N 1 27 PHE CA 1 27 PHE C 1 28 LYS N -29.00 27.00 5.84 -15.06 20.55 . . 0 "[ . 1 . 2]"
31 . 1 30 LYS C 1 31 TYR N 1 31 TYR CA 1 31 TYR C -177.70 -42.30 -80.42 -95.88 -72.22 . . 0 "[ . 1 . 2]"
32 . 1 31 TYR N 1 31 TYR CA 1 31 TYR C 1 32 VAL N 106.70 -178.30 113.31 106.52 120.78 0.18 20 0 "[ . 1 . 2]"
33 . 1 31 TYR C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -162.20 -86.00 -102.91 -114.16 -92.63 . . 0 "[ . 1 . 2]"
34 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 LEU N 107.70 155.30 116.68 123.32 119.85 0.14 18 0 "[ . 1 . 2]"
35 . 1 32 VAL C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -160.90 -74.70 -90.70 -104.19 -82.86 . . 0 "[ . 1 . 2]"
36 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 VAL N 98.60 141.80 110.62 106.49 105.35 0.58 13 0 "[ . 1 . 2]"
37 . 1 33 LEU C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -130.20 -90.20 -97.01 -110.20 -88.73 1.47 10 0 "[ . 1 . 2]"
38 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 ASP N 101.00 155.00 114.20 100.21 125.86 0.79 4 0 "[ . 1 . 2]"
39 . 1 34 VAL C 1 35 ASP N 1 35 ASP CA 1 35 ASP C -128.70 -79.30 -103.20 -103.87 -104.99 . . 0 "[ . 1 . 2]"
40 . 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1 36 PHE N 92.60 143.80 116.81 96.23 144.83 1.03 13 0 "[ . 1 . 2]"
41 . 1 35 ASP C 1 36 PHE N 1 36 PHE CA 1 36 PHE C -126.50 -82.30 -94.82 -84.43 -89.20 0.23 18 0 "[ . 1 . 2]"
42 . 1 36 PHE N 1 36 PHE CA 1 36 PHE C 1 37 TRP N 117.20 157.20 116.24 115.59 115.11 3.08 11 0 "[ . 1 . 2]"
43 . 1 36 PHE C 1 37 TRP N 1 37 TRP CA 1 37 TRP C -174.40 -86.40 -151.46 -144.63 -147.90 . . 0 "[ . 1 . 2]"
44 . 1 37 TRP N 1 37 TRP CA 1 37 TRP C 1 38 PHE N 132.90 -165.90 176.99 175.09 173.68 . . 0 "[ . 1 . 2]"
45 . 1 37 TRP C 1 38 PHE N 1 38 PHE CA 1 38 PHE C -169.80 -34.20 -168.09 -168.73 -169.82 0.93 6 0 "[ . 1 . 2]"
46 . 1 38 PHE N 1 38 PHE CA 1 38 PHE C 1 39 ALA N 142.60 -177.40 159.02 161.01 160.08 . . 0 "[ . 1 . 2]"
47 . 1 41 CYS C 1 42 SER N 1 42 SER CA 1 42 SER C -88.00 -36.00 -68.90 -88.43 -59.11 0.43 15 0 "[ . 1 . 2]"
48 . 1 42 SER N 1 42 SER CA 1 42 SER C 1 43 TRP N -69.00 11.00 -20.78 -29.81 -33.36 0.83 6 0 "[ . 1 . 2]"
49 . 1 42 SER C 1 43 TRP N 1 43 TRP CA 1 43 TRP C -84.90 -44.90 -73.53 -85.92 -56.27 1.02 15 0 "[ . 1 . 2]"
50 . 1 43 TRP N 1 43 TRP CA 1 43 TRP C 1 44 CYS N -58.80 -8.00 -35.13 -30.75 -31.51 . . 0 "[ . 1 . 2]"
51 . 1 43 TRP C 1 44 CYS N 1 44 CYS CA 1 44 CYS C -83.80 -40.80 -60.51 -68.56 -51.95 . . 0 "[ . 1 . 2]"
52 . 1 44 CYS N 1 44 CYS CA 1 44 CYS C 1 45 ARG N -65.50 -25.50 -34.72 -43.51 -24.66 0.84 15 0 "[ . 1 . 2]"
53 . 1 44 CYS C 1 45 ARG N 1 45 ARG CA 1 45 ARG C -84.70 -44.70 -72.69 -64.44 -66.45 0.69 4 0 "[ . 1 . 2]"
54 . 1 45 ARG N 1 45 ARG CA 1 45 ARG C 1 46 LYS N -54.70 -14.70 -18.00 -14.58 -16.48 2.58 7 0 "[ . 1 . 2]"
55 . 1 45 ARG C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -84.60 -44.60 -81.76 -84.28 -84.96 2.37 20 0 "[ . 1 . 2]"
56 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 GLU N -59.60 -9.00 -27.37 -51.23 -8.26 0.74 5 0 "[ . 1 . 2]"
57 . 1 46 LYS C 1 47 GLU N 1 47 GLU CA 1 47 GLU C -117.80 -67.20 -88.09 -105.65 -67.76 . . 0 "[ . 1 . 2]"
58 . 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 THR N -44.70 17.90 -10.32 15.78 3.64 . . 0 "[ . 1 . 2]"
59 . 1 47 GLU C 1 48 THR N 1 48 THR CA 1 48 THR C -71.10 -31.10 -52.05 -60.00 -48.58 . . 0 "[ . 1 . 2]"
60 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 PRO N -68.60 -28.60 -50.12 -53.18 -43.40 . . 0 "[ . 1 . 2]"
61 . 1 48 THR C 1 49 PRO N 1 49 PRO CA 1 49 PRO C -76.60 -36.60 -51.22 -55.40 -46.43 . . 0 "[ . 1 . 2]"
62 . 1 49 PRO N 1 49 PRO CA 1 49 PRO C 1 50 TYR N -59.30 -19.30 -42.12 -36.81 -39.05 . . 0 "[ . 1 . 2]"
63 . 1 49 PRO C 1 50 TYR N 1 50 TYR CA 1 50 TYR C -87.20 -47.20 -70.80 -76.94 -65.10 . . 0 "[ . 1 . 2]"
64 . 1 50 TYR N 1 50 TYR CA 1 50 TYR C 1 51 LEU N -57.70 -17.70 -39.09 -41.26 -43.15 . . 0 "[ . 1 . 2]"
65 . 1 50 TYR C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -82.50 -42.50 -61.75 -66.77 -55.93 . . 0 "[ . 1 . 2]"
66 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 LEU N -64.70 -24.70 -45.09 -52.95 -37.80 . . 0 "[ . 1 . 2]"
67 . 1 51 LEU C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -80.30 -40.30 -61.57 -65.88 -59.19 . . 0 "[ . 1 . 2]"
68 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 LYS N -64.80 -24.80 -42.91 -44.75 -46.52 . . 0 "[ . 1 . 2]"
69 . 1 52 LEU C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -84.50 -44.50 -58.35 -56.67 -57.74 . . 0 "[ . 1 . 2]"
70 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 THR N -56.50 -16.50 -48.08 -56.36 -41.95 . . 0 "[ . 1 . 2]"
71 . 1 53 LYS C 1 54 THR N 1 54 THR CA 1 54 THR C -89.10 -49.10 -62.13 -68.04 -53.11 . . 0 "[ . 1 . 2]"
72 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 TYR N -58.80 -18.80 -46.46 -39.80 -42.51 . . 0 "[ . 1 . 2]"
73 . 1 54 THR C 1 55 TYR N 1 55 TYR CA 1 55 TYR C -82.50 -42.50 -59.63 -65.73 -55.53 . . 0 "[ . 1 . 2]"
74 . 1 55 TYR N 1 55 TYR CA 1 55 TYR C 1 56 ASN N -65.70 -25.70 -48.42 -46.75 -48.59 . . 0 "[ . 1 . 2]"
75 . 1 55 TYR C 1 56 ASN N 1 56 ASN CA 1 56 ASN C -81.70 -41.70 -65.97 -78.06 -55.70 . . 0 "[ . 1 . 2]"
76 . 1 56 ASN N 1 56 ASN CA 1 56 ASN C 1 57 ALA N -60.60 -20.60 -33.50 -43.64 -19.99 0.61 20 0 "[ . 1 . 2]"
77 . 1 56 ASN C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -91.70 -50.90 -81.98 -83.63 -85.37 0.17 20 0 "[ . 1 . 2]"
78 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 PHE N -60.00 -20.00 -29.43 -43.25 -18.92 1.08 17 0 "[ . 1 . 2]"
79 . 1 57 ALA C 1 58 PHE N 1 58 PHE CA 1 58 PHE C -120.00 -55.80 -113.74 -121.94 -102.80 1.94 15 0 "[ . 1 . 2]"
80 . 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 LYS N -57.30 12.90 1.86 -2.20 -4.95 0.54 3 0 "[ . 1 . 2]"
81 . 1 62 GLY C 1 63 PHE N 1 63 PHE CA 1 63 PHE C -160.30 -100.70 -137.62 -139.00 -140.59 . . 0 "[ . 1 . 2]"
82 . 1 63 PHE N 1 63 PHE CA 1 63 PHE C 1 64 THR N 112.80 175.40 141.48 127.11 153.46 . . 0 "[ . 1 . 2]"
83 . 1 63 PHE C 1 64 THR N 1 64 THR CA 1 64 THR C 161.20 -69.80 -148.11 -162.56 -130.57 . . 0 "[ . 1 . 2]"
84 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 ILE N 128.40 -156.60 148.07 141.11 137.82 . . 0 "[ . 1 . 2]"
85 . 1 64 THR C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -158.50 -88.50 -101.90 -122.03 -87.61 0.89 9 0 "[ . 1 . 2]"
86 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 TYR N 100.80 161.00 127.16 133.46 129.74 . . 0 "[ . 1 . 2]"
87 . 1 65 ILE C 1 66 TYR N 1 66 TYR CA 1 66 TYR C -135.50 -95.50 -110.49 -123.43 -97.85 . . 0 "[ . 1 . 2]"
88 . 1 66 TYR N 1 66 TYR CA 1 66 TYR C 1 67 GLY N 95.20 159.40 96.32 93.05 104.79 2.15 2 0 "[ . 1 . 2]"
89 . 1 66 TYR C 1 67 GLY N 1 67 GLY CA 1 67 GLY C -151.20 -70.80 -84.37 -91.81 -75.01 . . 0 "[ . 1 . 2]"
90 . 1 67 GLY N 1 67 GLY CA 1 67 GLY C 1 68 VAL N 90.90 152.10 120.15 102.71 142.12 . . 0 "[ . 1 . 2]"
91 . 1 67 GLY C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -139.00 -99.00 -109.85 -99.05 -100.22 1.38 4 0 "[ . 1 . 2]"
92 . 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 SER N 112.60 167.00 115.70 118.25 117.21 1.49 16 0 "[ . 1 . 2]"
93 . 1 68 VAL C 1 69 SER N 1 69 SER CA 1 69 SER C -152.50 -93.10 -115.20 -118.72 -122.01 2.25 14 0 "[ . 1 . 2]"
94 . 1 69 SER N 1 69 SER CA 1 69 SER C 1 70 THR N 107.50 -175.70 148.74 148.66 145.60 . . 0 "[ . 1 . 2]"
95 . 1 73 ARG C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -75.00 -35.00 -69.57 -69.83 -72.68 0.81 12 0 "[ . 1 . 2]"
96 . 1 74 GLU N 1 74 GLU CA 1 74 GLU C 1 75 GLU N -65.80 -25.80 -37.93 -44.94 -31.16 . . 0 "[ . 1 . 2]"
97 . 1 74 GLU C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -76.70 -36.70 -62.53 -70.50 -55.53 . . 0 "[ . 1 . 2]"
98 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 ASP N -61.20 -21.20 -40.60 -36.46 -39.61 . . 0 "[ . 1 . 2]"
99 . 1 75 GLU C 1 76 ASP N 1 76 ASP CA 1 76 ASP C -84.50 -44.50 -68.30 -67.64 -72.36 . . 0 "[ . 1 . 2]"
100 . 1 76 ASP N 1 76 ASP CA 1 76 ASP C 1 77 TRP N -57.30 -17.30 -38.64 -49.37 -28.20 . . 0 "[ . 1 . 2]"
101 . 1 76 ASP C 1 77 TRP N 1 77 TRP CA 1 77 TRP C -85.10 -45.10 -60.27 -68.01 -52.64 . . 0 "[ . 1 . 2]"
102 . 1 77 TRP N 1 77 TRP CA 1 77 TRP C 1 78 LYS N -61.70 -21.70 -51.66 -48.73 -49.03 . . 0 "[ . 1 . 2]"
103 . 1 77 TRP C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -79.30 -39.30 -56.89 -57.22 -57.88 . . 0 "[ . 1 . 2]"
104 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 LYS N -58.50 -18.50 -43.21 -50.63 -37.17 . . 0 "[ . 1 . 2]"
105 . 1 78 LYS C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -84.50 -44.50 -61.36 -70.41 -57.00 . . 0 "[ . 1 . 2]"
106 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 ALA N -57.90 -17.90 -45.48 -40.06 -42.35 . . 0 "[ . 1 . 2]"
107 . 1 79 LYS C 1 80 ALA N 1 80 ALA CA 1 80 ALA C -84.50 -44.50 -61.33 -66.79 -56.56 . . 0 "[ . 1 . 2]"
108 . 1 80 ALA N 1 80 ALA CA 1 80 ALA C 1 81 ILE N -61.70 -21.70 -38.51 -36.86 -38.01 . . 0 "[ . 1 . 2]"
109 . 1 80 ALA C 1 81 ILE N 1 81 ILE CA 1 81 ILE C -84.00 -44.00 -62.66 -69.09 -56.19 . . 0 "[ . 1 . 2]"
110 . 1 81 ILE N 1 81 ILE CA 1 81 ILE C 1 82 GLU N -64.60 -24.60 -40.15 -47.81 -33.98 . . 0 "[ . 1 . 2]"
111 . 1 81 ILE C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -82.20 -42.20 -67.54 -66.76 -67.77 . . 0 "[ . 1 . 2]"
112 . 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 GLU N -59.40 -19.40 -38.95 -38.84 -40.88 . . 0 "[ . 1 . 2]"
113 . 1 82 GLU C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -87.60 -47.60 -63.60 -84.04 -50.07 . . 0 "[ . 1 . 2]"
114 . 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 ASP N -59.40 -0.40 -53.24 -54.33 -56.08 1.10 15 0 "[ . 1 . 2]"
115 . 1 83 GLU C 1 84 ASP N 1 84 ASP CA 1 84 ASP C -111.30 -52.30 -85.15 -104.02 -71.51 . . 0 "[ . 1 . 2]"
116 . 1 84 ASP N 1 84 ASP CA 1 84 ASP C 1 85 LYS N -26.40 15.60 -11.75 -19.60 -20.92 0.04 11 0 "[ . 1 . 2]"
117 . 1 89 ASN C 1 90 GLN N 1 90 GLN CA 1 90 GLN C -123.00 -79.00 -110.50 -123.78 -82.69 0.78 9 0 "[ . 1 . 2]"
118 . 1 90 GLN N 1 90 GLN CA 1 90 GLN C 1 91 VAL N 122.00 162.00 143.24 151.71 150.56 . . 0 "[ . 1 . 2]"
119 . 1 90 GLN C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -158.00 -106.00 -132.60 -140.05 -119.09 . . 0 "[ . 1 . 2]"
120 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 LEU N 134.00 174.00 147.17 145.32 143.74 . . 0 "[ . 1 . 2]"
121 . 1 91 VAL C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -135.10 -88.70 -94.95 -108.21 -87.65 1.05 14 0 "[ . 1 . 2]"
122 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 LEU N 101.20 141.20 122.26 123.52 118.70 . . 0 "[ . 1 . 2]"
123 . 1 94 GLN C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -79.00 -39.00 -60.90 -43.63 -49.24 . . 0 "[ . 1 . 2]"
124 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 ASP N -57.00 -17.00 -34.03 -58.43 -15.03 1.97 15 0 "[ . 1 . 2]"
125 . 1 95 LYS C 1 96 ASP N 1 96 ASP CA 1 96 ASP C -87.00 -47.00 -85.35 -89.95 -78.70 2.95 14 0 "[ . 1 . 2]"
126 . 1 96 ASP N 1 96 ASP CA 1 96 ASP C 1 97 ASP N -54.00 14.00 -36.22 -33.87 -36.03 1.50 15 0 "[ . 1 . 2]"
127 . 1 96 ASP C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -111.00 -35.00 -62.87 -59.68 -62.29 . . 0 "[ . 1 . 2]"
128 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 VAL N -63.00 -3.00 -37.03 -48.17 -26.75 . . 0 "[ . 1 . 2]"
129 . 1 97 ASP C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -79.00 -39.00 -49.59 -50.14 -50.63 . . 0 "[ . 1 . 2]"
130 . 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 LYS N -68.00 -28.00 -43.87 -65.06 -32.25 . . 0 "[ . 1 . 2]"
131 . 1 98 VAL C 1 99 LYS N 1 99 LYS CA 1 99 LYS C -80.00 -40.00 -57.64 -66.16 -47.52 . . 0 "[ . 1 . 2]"
132 . 1 99 LYS N 1 99 LYS CA 1 99 LYS C 1 100 ASP N -62.00 -22.00 -60.82 -65.76 -47.73 3.76 4 0 "[ . 1 . 2]"
133 . 1 99 LYS C 1 100 ASP N 1 100 ASP CA 1 100 ASP C -85.00 -45.00 -67.62 -74.21 -55.25 . . 0 "[ . 1 . 2]"
134 . 1 100 ASP N 1 100 ASP CA 1 100 ASP C 1 101 VAL N -60.00 -20.00 -44.03 -51.70 -53.29 . . 0 "[ . 1 . 2]"
135 . 1 100 ASP C 1 101 VAL N 1 101 VAL CA 1 101 VAL C -89.60 -44.80 -60.82 -79.27 -46.43 . . 0 "[ . 1 . 2]"
136 . 1 101 VAL N 1 101 VAL CA 1 101 VAL C 1 102 LEU N -62.20 -21.40 -54.10 -41.80 -47.93 1.01 8 0 "[ . 1 . 2]"
137 . 1 101 VAL C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -80.30 -40.30 -60.29 -66.61 -56.21 . . 0 "[ . 1 . 2]"
138 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 GLU N -63.10 -23.10 -45.28 -22.89 -30.41 0.21 2 0 "[ . 1 . 2]"
139 . 1 102 LEU C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -84.30 -44.30 -61.52 -82.54 -52.62 . . 0 "[ . 1 . 2]"
140 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 SER N -59.10 -19.10 -60.19 -64.17 -47.33 5.07 8 1 "[ . + 1 . 2]"
141 . 1 103 GLU C 1 104 SER N 1 104 SER CA 1 104 SER C -86.20 -46.20 -55.09 -51.31 -53.23 . . 0 "[ . 1 . 2]"
142 . 1 104 SER N 1 104 SER CA 1 104 SER C 1 105 TYR N -59.10 -10.50 -36.01 -45.28 -23.44 . . 0 "[ . 1 . 2]"
143 . 1 104 SER C 1 105 TYR N 1 105 TYR CA 1 105 TYR C -112.00 -72.00 -78.46 -86.84 -71.76 0.24 20 0 "[ . 1 . 2]"
144 . 1 105 TYR N 1 105 TYR CA 1 105 TYR C 1 106 CYS N -20.10 19.90 13.05 13.15 12.26 2.25 7 0 "[ . 1 . 2]"
145 . 1 111 PRO C 1 112 HIS N 1 112 HIS CA 1 112 HIS C -172.60 -67.60 -137.54 -107.48 -121.59 . . 0 "[ . 1 . 2]"
146 . 1 112 HIS N 1 112 HIS CA 1 112 HIS C 1 113 ILE N 96.40 149.80 115.58 95.21 139.18 1.19 13 0 "[ . 1 . 2]"
147 . 1 112 HIS C 1 113 ILE N 1 113 ILE CA 1 113 ILE C -127.90 -57.70 -118.85 -102.90 -111.49 1.73 14 0 "[ . 1 . 2]"
148 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C 1 114 ILE N 95.40 167.60 128.43 110.75 145.08 . . 0 "[ . 1 . 2]"
149 . 1 113 ILE C 1 114 ILE N 1 114 ILE CA 1 114 ILE C -167.80 -106.00 -127.11 -124.93 -126.36 . . 0 "[ . 1 . 2]"
150 . 1 114 ILE N 1 114 ILE CA 1 114 ILE C 1 115 LEU N 140.70 -179.30 154.93 153.20 149.20 . . 0 "[ . 1 . 2]"
151 . 1 114 ILE C 1 115 LEU N 1 115 LEU CA 1 115 LEU C 175.70 -78.90 -115.43 -124.90 -95.48 . . 0 "[ . 1 . 2]"
152 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 VAL N 104.40 155.80 116.21 116.30 115.46 . . 0 "[ . 1 . 2]"
153 . 1 115 LEU C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -139.10 -97.50 -106.24 -119.10 -97.17 0.33 5 0 "[ . 1 . 2]"
154 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 ASP N 103.30 143.30 136.99 126.90 145.13 1.83 16 0 "[ . 1 . 2]"
155 . 1 120 GLY C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -129.00 -65.00 -110.21 -112.27 -112.67 . . 0 "[ . 1 . 2]"
156 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 ILE N 116.00 -168.00 146.43 151.76 150.87 . . 0 "[ . 1 . 2]"
157 . 1 121 LYS C 1 122 ILE N 1 122 ILE CA 1 122 ILE C -116.00 -36.00 -81.54 -91.95 -71.17 . . 0 "[ . 1 . 2]"
158 . 1 122 ILE N 1 122 ILE CA 1 122 ILE C 1 123 VAL N 76.00 176.00 103.91 104.32 99.57 . . 0 "[ . 1 . 2]"
159 . 1 122 ILE C 1 123 VAL N 1 123 VAL CA 1 123 VAL C -140.00 -72.00 -84.98 -101.75 -73.12 . . 0 "[ . 1 . 2]"
160 . 1 123 VAL N 1 123 VAL CA 1 123 VAL C 1 124 ALA N -52.00 20.00 -34.05 -36.21 -37.44 . . 0 "[ . 1 . 2]"
161 . 1 123 VAL C 1 124 ALA N 1 124 ALA CA 1 124 ALA C 177.00 -115.00 -142.49 -145.12 -146.66 . . 0 "[ . 1 . 2]"
162 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 LYS N 115.00 -173.00 148.99 119.03 169.42 . . 0 "[ . 1 . 2]"
163 . 1 124 ALA C 1 125 LYS N 1 125 LYS CA 1 125 LYS C -169.00 -97.00 -149.81 -156.81 -159.70 0.46 9 0 "[ . 1 . 2]"
164 . 1 125 LYS N 1 125 LYS CA 1 125 LYS C 1 126 GLU N 130.00 -174.00 156.91 128.16 175.28 1.84 8 0 "[ . 1 . 2]"
165 . 1 129 GLY C 1 130 ASP N 1 130 ASP CA 1 130 ASP C -76.00 -36.00 -72.05 -77.46 -78.33 3.02 17 0 "[ . 1 . 2]"
166 . 1 130 ASP N 1 130 ASP CA 1 130 ASP C 1 131 ASP N -67.00 -11.00 -23.97 -38.00 -10.04 0.96 15 0 "[ . 1 . 2]"
167 . 1 130 ASP C 1 131 ASP N 1 131 ASP CA 1 131 ASP C -83.00 -43.00 -65.27 -83.27 -51.03 0.27 18 0 "[ . 1 . 2]"
168 . 1 131 ASP N 1 131 ASP CA 1 131 ASP C 1 132 LEU N -59.00 -19.00 -35.49 -19.45 -25.72 . . 0 "[ . 1 . 2]"
169 . 1 131 ASP C 1 132 LEU N 1 132 LEU CA 1 132 LEU C -86.90 -46.90 -55.35 -52.16 -56.18 0.64 18 0 "[ . 1 . 2]"
170 . 1 132 LEU N 1 132 LEU CA 1 132 LEU C 1 133 TYR N -63.40 -23.40 -47.64 -64.57 -32.47 1.17 7 0 "[ . 1 . 2]"
171 . 1 132 LEU C 1 133 TYR N 1 133 TYR CA 1 133 TYR C -80.80 -40.80 -63.52 -63.10 -63.44 . . 0 "[ . 1 . 2]"
172 . 1 133 TYR N 1 133 TYR CA 1 133 TYR C 1 134 ASN N -64.90 -24.90 -51.32 -52.14 -53.45 . . 0 "[ . 1 . 2]"
173 . 1 133 TYR C 1 134 ASN N 1 134 ASN CA 1 134 ASN C -81.30 -41.30 -60.03 -57.54 -58.22 . . 0 "[ . 1 . 2]"
174 . 1 134 ASN N 1 134 ASN CA 1 134 ASN C 1 135 THR N -57.80 -17.80 -40.25 -57.21 -26.49 . . 0 "[ . 1 . 2]"
175 . 1 134 ASN C 1 135 THR N 1 135 THR CA 1 135 THR C -86.30 -46.30 -70.56 -83.59 -62.24 . . 0 "[ . 1 . 2]"
176 . 1 135 THR N 1 135 THR CA 1 135 THR C 1 136 VAL N -59.40 -19.40 -41.50 -37.35 -39.67 . . 0 "[ . 1 . 2]"
177 . 1 135 THR C 1 136 VAL N 1 136 VAL CA 1 136 VAL C -82.40 -42.40 -66.04 -74.89 -61.02 . . 0 "[ . 1 . 2]"
178 . 1 136 VAL N 1 136 VAL CA 1 136 VAL C 1 137 GLU N -65.20 -25.20 -41.23 -49.33 -35.61 . . 0 "[ . 1 . 2]"
179 . 1 136 VAL C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -78.40 -38.40 -63.30 -68.87 -57.02 . . 0 "[ . 1 . 2]"
180 . 1 137 GLU N 1 137 GLU CA 1 137 GLU C 1 138 LYS N -64.20 -24.20 -40.30 -36.66 -38.33 0.86 5 0 "[ . 1 . 2]"
181 . 1 137 GLU C 1 138 LYS N 1 138 LYS CA 1 138 LYS C -84.50 -44.50 -63.71 -78.87 -48.53 . . 0 "[ . 1 . 2]"
182 . 1 138 LYS N 1 138 LYS CA 1 138 LYS C 1 139 PHE N -65.10 -16.90 -38.05 -59.15 -16.39 0.51 12 0 "[ . 1 . 2]"
183 . 1 138 LYS C 1 139 PHE N 1 139 PHE CA 1 139 PHE C -86.50 -46.50 -85.98 -89.51 -65.02 3.01 20 0 "[ . 1 . 2]"
184 . 1 139 PHE N 1 139 PHE CA 1 139 PHE C 1 140 VAL N -61.10 -21.10 -56.61 -55.12 -56.76 1.50 4 0 "[ . 1 . 2]"
185 . 1 139 PHE C 1 140 VAL N 1 140 VAL CA 1 140 VAL C -86.80 -46.80 -76.87 -75.26 -81.88 1.11 15 0 "[ . 1 . 2]"
186 . 1 140 VAL N 1 140 VAL CA 1 140 VAL C 1 141 ASN N -59.80 -14.00 -39.94 -55.03 -21.47 . . 0 "[ . 1 . 2]"
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