NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
381654 |
1j57   |
5261 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1j57
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 220
_TA_constraint_stats_list.Viol_count 65
_TA_constraint_stats_list.Viol_total 192.71
_TA_constraint_stats_list.Viol_max 22.77
_TA_constraint_stats_list.Viol_rms 2.50
_TA_constraint_stats_list.Viol_average_all_restraints 0.88
_TA_constraint_stats_list.Viol_average_violations_only 2.96
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 8 GLY C 1 9 SER N 1 9 SER CA 1 9 SER C -129.00 -65.00 -72.77 -72.77 -72.77 . . 0 "[ ]"
2 . 1 9 SER N 1 9 SER CA 1 9 SER C 1 10 THR N 83.00 179.00 81.84 81.84 81.84 1.16 1 0 "[ ]"
3 . 1 9 SER C 1 10 THR N 1 10 THR CA 1 10 THR C -127.00 -59.00 -127.85 -127.85 -127.85 0.85 1 0 "[ ]"
4 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 LYS N 90.00 170.00 121.65 121.65 121.65 . . 0 "[ ]"
5 . 1 11 LYS C 1 12 THR N 1 12 THR CA 1 12 THR C -165.00 -49.00 -68.33 -68.33 -68.33 . . 0 "[ ]"
6 . 1 12 THR N 1 12 THR CA 1 12 THR C 1 13 ASN N 113.00 -155.00 -172.22 -172.22 -172.22 . . 0 "[ ]"
7 . 1 12 THR C 1 13 ASN N 1 13 ASN CA 1 13 ASN C -81.43 -41.43 -59.14 -59.14 -59.14 . . 0 "[ ]"
8 . 1 13 ASN N 1 13 ASN CA 1 13 ASN C 1 14 SER N -55.92 -15.92 -16.22 -16.22 -16.22 . . 0 "[ ]"
9 . 1 13 ASN C 1 14 SER N 1 14 SER CA 1 14 SER C -83.01 -43.01 -53.96 -53.96 -53.96 . . 0 "[ ]"
10 . 1 14 SER N 1 14 SER CA 1 14 SER C 1 15 GLU N -63.31 -23.31 -59.09 -59.09 -59.09 . . 0 "[ ]"
11 . 1 14 SER C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -86.86 -46.86 -81.19 -81.19 -81.19 . . 0 "[ ]"
12 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 ILE N -60.85 -20.85 -38.85 -38.85 -38.85 . . 0 "[ ]"
13 . 1 15 GLU C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -83.95 -43.95 -59.17 -59.17 -59.17 . . 0 "[ ]"
14 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 LEU N -62.65 -22.65 -25.76 -25.76 -25.76 . . 0 "[ ]"
15 . 1 16 ILE C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -81.71 -41.71 -83.86 -83.86 -83.86 2.15 1 0 "[ ]"
16 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 GLU N -61.20 -21.20 -31.27 -31.27 -31.27 . . 0 "[ ]"
17 . 1 17 LEU C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -85.37 -45.37 -65.38 -65.38 -65.38 . . 0 "[ ]"
18 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 GLN N -60.16 -20.16 -60.42 -60.42 -60.42 0.26 1 0 "[ ]"
19 . 1 18 GLU C 1 19 GLN N 1 19 GLN CA 1 19 GLN C -87.40 -47.40 -69.71 -69.71 -69.71 . . 0 "[ ]"
20 . 1 19 GLN N 1 19 GLN CA 1 19 GLN C 1 20 LEU N -58.92 -18.92 -45.49 -45.49 -45.49 . . 0 "[ ]"
21 . 1 19 GLN C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -84.98 -44.98 -85.03 -85.03 -85.03 0.05 1 0 "[ ]"
22 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 LYS N -59.14 -19.14 -22.64 -22.64 -22.64 . . 0 "[ ]"
23 . 1 20 LEU C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -89.76 -49.76 -89.99 -89.99 -89.99 0.23 1 0 "[ ]"
24 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 GLN N -61.21 -21.21 -27.36 -27.36 -27.36 . . 0 "[ ]"
25 . 1 21 LYS C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -83.38 -43.38 -85.55 -85.55 -85.55 2.17 1 0 "[ ]"
26 . 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 ALA N -55.74 -15.74 -49.95 -49.95 -49.95 . . 0 "[ ]"
27 . 1 22 GLN C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -120.00 -20.00 -97.97 -97.97 -97.97 . . 0 "[ ]"
28 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 SER N -100.00 0.00 -52.68 -52.68 -52.68 . . 0 "[ ]"
29 . 1 23 ALA C 1 24 SER N 1 24 SER CA 1 24 SER C -120.00 -20.00 -57.86 -57.86 -57.86 . . 0 "[ ]"
30 . 1 24 SER N 1 24 SER CA 1 24 SER C 1 25 ASP N -100.00 0.00 -14.90 -14.90 -14.90 . . 0 "[ ]"
31 . 1 24 SER C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -120.00 -20.00 -79.33 -79.33 -79.33 . . 0 "[ ]"
32 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 GLY N -100.00 0.00 0.42 0.42 0.42 0.42 1 0 "[ ]"
33 . 1 25 ASP C 1 26 GLY N 1 26 GLY CA 1 26 GLY C -120.00 -20.00 -90.50 -90.50 -90.50 . . 0 "[ ]"
34 . 1 26 GLY N 1 26 GLY CA 1 26 GLY C 1 27 LEU N -100.00 0.00 -36.32 -36.32 -36.32 . . 0 "[ ]"
35 . 1 27 LEU C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -140.05 -63.37 -78.62 -78.62 -78.62 . . 0 "[ ]"
36 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 PHE N 85.29 159.25 82.12 82.12 82.12 3.17 1 0 "[ ]"
37 . 1 28 LEU C 1 29 PHE N 1 29 PHE CA 1 29 PHE C -122.52 -44.76 -130.29 -130.29 -130.29 7.77 1 1 [+]
38 . 1 29 PHE N 1 29 PHE CA 1 29 PHE C 1 30 MET N 98.99 148.79 76.22 76.22 76.22 22.77 1 1 [+]
39 . 1 29 PHE C 1 30 MET N 1 30 MET CA 1 30 MET C -157.13 -45.09 -170.66 -170.66 -170.66 13.53 1 1 [+]
40 . 1 30 MET N 1 30 MET CA 1 30 MET C 1 31 SER N 87.45 169.25 172.57 172.57 172.57 3.32 1 0 "[ ]"
41 . 1 32 GLU C 1 33 SER N 1 33 SER CA 1 33 SER C 160.00 -80.00 -162.22 -162.22 -162.22 . . 0 "[ ]"
42 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 GLU N 40.00 -140.00 -134.67 -134.67 -134.67 5.33 1 1 [+]
43 . 1 33 SER C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -163.20 -69.16 -119.50 -119.50 -119.50 . . 0 "[ ]"
44 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 TYR N 106.76 171.64 109.39 109.39 109.39 . . 0 "[ ]"
45 . 1 34 GLU C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -156.06 -115.50 -131.10 -131.10 -131.10 . . 0 "[ ]"
46 . 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 PRO N 116.73 179.13 150.57 150.57 150.57 . . 0 "[ ]"
47 . 1 35 TYR C 1 36 PRO N 1 36 PRO CA 1 36 PRO C -150.10 -62.06 -87.46 -87.46 -87.46 . . 0 "[ ]"
48 . 1 36 PRO N 1 36 PRO CA 1 36 PRO C 1 37 PHE N 105.62 150.58 152.49 152.49 152.49 1.91 1 0 "[ ]"
49 . 1 36 PRO C 1 37 PHE N 1 37 PHE CA 1 37 PHE C -143.76 -61.48 -80.97 -80.97 -80.97 . . 0 "[ ]"
50 . 1 37 PHE N 1 37 PHE CA 1 37 PHE C 1 38 GLU N 115.49 173.13 120.60 120.60 120.60 . . 0 "[ ]"
51 . 1 37 PHE C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -161.15 -98.59 -102.95 -102.95 -102.95 . . 0 "[ ]"
52 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 VAL N 103.31 176.63 123.91 123.91 123.91 . . 0 "[ ]"
53 . 1 38 GLU C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -134.61 -76.13 -83.25 -83.25 -83.25 . . 0 "[ ]"
54 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 PHE N 104.53 162.05 150.50 150.50 150.50 . . 0 "[ ]"
55 . 1 39 VAL C 1 40 PHE N 1 40 PHE CA 1 40 PHE C -167.97 -97.57 -158.43 -158.43 -158.43 . . 0 "[ ]"
56 . 1 40 PHE N 1 40 PHE CA 1 40 PHE C 1 41 LEU N 132.24 172.24 141.97 141.97 141.97 . . 0 "[ ]"
57 . 1 40 PHE C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -165.00 -77.00 -76.60 -76.60 -76.60 0.40 1 0 "[ ]"
58 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 TRP N 83.00 151.00 133.33 133.33 133.33 . . 0 "[ ]"
59 . 1 41 LEU C 1 42 TRP N 1 42 TRP CA 1 42 TRP C -147.00 -71.00 -135.65 -135.65 -135.65 . . 0 "[ ]"
60 . 1 42 TRP N 1 42 TRP CA 1 42 TRP C 1 43 GLU N 56.00 152.00 128.88 128.88 128.88 . . 0 "[ ]"
61 . 1 44 GLY C 1 45 SER N 1 45 SER CA 1 45 SER C -159.00 -59.00 -58.77 -58.77 -58.77 0.23 1 0 "[ ]"
62 . 1 45 SER N 1 45 SER CA 1 45 SER C 1 46 ALA N 106.00 178.00 -178.56 -178.56 -178.56 3.44 1 0 "[ ]"
63 . 1 46 ALA C 1 47 PRO N 1 47 PRO CA 1 47 PRO C -103.00 -47.00 -67.54 -67.54 -67.54 . . 0 "[ ]"
64 . 1 47 PRO N 1 47 PRO CA 1 47 PRO C 1 48 PRO N 107.00 179.00 105.87 105.87 105.87 1.13 1 0 "[ ]"
65 . 1 49 VAL C 1 50 THR N 1 50 THR CA 1 50 THR C -165.00 -77.00 -165.33 -165.33 -165.33 0.33 1 0 "[ ]"
66 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 HIS N 137.00 -171.00 152.96 152.96 152.96 . . 0 "[ ]"
67 . 1 50 THR C 1 51 HIS N 1 51 HIS CA 1 51 HIS C -144.97 -44.37 -61.32 -61.32 -61.32 . . 0 "[ ]"
68 . 1 51 HIS N 1 51 HIS CA 1 51 HIS C 1 52 GLU N 84.94 154.18 83.16 83.16 83.16 1.78 1 0 "[ ]"
69 . 1 52 GLU C 1 53 ILE N 1 53 ILE CA 1 53 ILE C -85.00 -45.00 -55.61 -55.61 -55.61 . . 0 "[ ]"
70 . 1 53 ILE N 1 53 ILE CA 1 53 ILE C 1 54 VAL N -61.00 -21.00 -42.75 -42.75 -42.75 . . 0 "[ ]"
71 . 1 53 ILE C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -82.00 -42.00 -49.25 -49.25 -49.25 . . 0 "[ ]"
72 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 LEU N -58.00 -18.00 -30.80 -30.80 -30.80 . . 0 "[ ]"
73 . 1 54 VAL C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -88.33 -48.33 -60.90 -60.90 -60.90 . . 0 "[ ]"
74 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 GLN N -63.29 -9.49 -59.61 -59.61 -59.61 . . 0 "[ ]"
75 . 1 55 LEU C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -88.45 -45.61 -47.74 -47.74 -47.74 . . 0 "[ ]"
76 . 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 GLN N -71.97 -2.89 -24.91 -24.91 -24.91 . . 0 "[ ]"
77 . 1 56 GLN C 1 57 GLN N 1 57 GLN CA 1 57 GLN C -102.13 -33.73 -82.02 -82.02 -82.02 . . 0 "[ ]"
78 . 1 57 GLN N 1 57 GLN CA 1 57 GLN C 1 58 THR N -54.61 10.23 -28.42 -28.42 -28.42 . . 0 "[ ]"
79 . 1 57 GLN C 1 58 THR N 1 58 THR CA 1 58 THR C -120.00 -20.00 -104.13 -104.13 -104.13 . . 0 "[ ]"
80 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 GLY N -100.00 0.00 -84.21 -84.21 -84.21 . . 0 "[ ]"
81 . 1 58 THR C 1 59 GLY N 1 59 GLY CA 1 59 GLY C -120.00 -20.00 -121.99 -121.99 -121.99 1.99 1 0 "[ ]"
82 . 1 59 GLY N 1 59 GLY CA 1 59 GLY C 1 60 HIS N -100.00 0.00 -1.25 -1.25 -1.25 . . 0 "[ ]"
83 . 1 63 ASP C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -107.52 -58.00 -108.13 -108.13 -108.13 0.61 1 0 "[ ]"
84 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 PRO N 101.60 -177.08 171.75 171.75 171.75 . . 0 "[ ]"
85 . 1 65 PRO C 1 66 PHE N 1 66 PHE CA 1 66 PHE C -177.63 -65.87 -132.05 -132.05 -132.05 . . 0 "[ ]"
86 . 1 66 PHE N 1 66 PHE CA 1 66 PHE C 1 67 LYS N 112.39 172.63 179.94 179.94 179.94 7.31 1 1 [+]
87 . 1 66 PHE C 1 67 LYS N 1 67 LYS CA 1 67 LYS C -179.98 -106.82 -124.81 -124.81 -124.81 . . 0 "[ ]"
88 . 1 67 LYS N 1 67 LYS CA 1 67 LYS C 1 68 VAL N 97.08 -175.48 -174.30 -174.30 -174.30 1.18 1 0 "[ ]"
89 . 1 67 LYS C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -132.11 -91.79 -91.40 -91.40 -91.40 0.39 1 0 "[ ]"
90 . 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 VAL N 106.77 152.69 125.74 125.74 125.74 . . 0 "[ ]"
91 . 1 68 VAL C 1 69 VAL N 1 69 VAL CA 1 69 VAL C -171.00 -91.00 -101.84 -101.84 -101.84 . . 0 "[ ]"
92 . 1 69 VAL N 1 69 VAL CA 1 69 VAL C 1 70 ASP N 123.00 -173.00 -172.08 -172.08 -172.08 0.92 1 0 "[ ]"
93 . 1 69 VAL C 1 70 ASP N 1 70 ASP CA 1 70 ASP C -131.13 -52.05 -130.15 -130.15 -130.15 . . 0 "[ ]"
94 . 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 ILE N 95.15 170.39 154.97 154.97 154.97 . . 0 "[ ]"
95 . 1 70 ASP C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -80.92 -40.92 -41.11 -41.11 -41.11 . . 0 "[ ]"
96 . 1 71 ILE N 1 71 ILE CA 1 71 ILE C 1 72 ASP N -64.76 -13.64 -46.38 -46.38 -46.38 . . 0 "[ ]"
97 . 1 71 ILE C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -84.41 -44.41 -86.76 -86.76 -86.76 2.35 1 0 "[ ]"
98 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 SER N -56.94 -16.94 -25.99 -25.99 -25.99 . . 0 "[ ]"
99 . 1 72 ASP C 1 73 SER N 1 73 SER CA 1 73 SER C -86.37 -46.37 -71.61 -71.61 -71.61 . . 0 "[ ]"
100 . 1 73 SER N 1 73 SER CA 1 73 SER C 1 74 PHE N -58.09 -18.09 -59.30 -59.30 -59.30 1.21 1 0 "[ ]"
101 . 1 73 SER C 1 74 PHE N 1 74 PHE CA 1 74 PHE C -89.19 -49.19 -62.63 -62.63 -62.63 . . 0 "[ ]"
102 . 1 74 PHE N 1 74 PHE CA 1 74 PHE C 1 75 PHE N -57.52 -17.52 -40.61 -40.61 -40.61 . . 0 "[ ]"
103 . 1 74 PHE C 1 75 PHE N 1 75 PHE CA 1 75 PHE C -104.50 -37.30 -86.03 -86.03 -86.03 . . 0 "[ ]"
104 . 1 75 PHE N 1 75 PHE CA 1 75 PHE C 1 76 SER N -65.52 6.36 8.81 8.81 8.81 2.45 1 0 "[ ]"
105 . 1 75 PHE C 1 76 SER N 1 76 SER CA 1 76 SER C -120.00 -20.00 -75.49 -75.49 -75.49 . . 0 "[ ]"
106 . 1 76 SER N 1 76 SER CA 1 76 SER C 1 77 ARG N -100.00 0.00 -55.18 -55.18 -55.18 . . 0 "[ ]"
107 . 1 76 SER C 1 77 ARG N 1 77 ARG CA 1 77 ARG C -120.00 -20.00 -53.88 -53.88 -53.88 . . 0 "[ ]"
108 . 1 77 ARG N 1 77 ARG CA 1 77 ARG C 1 78 ALA N -100.00 0.00 -13.75 -13.75 -13.75 . . 0 "[ ]"
109 . 1 77 ARG C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -142.15 -29.91 -91.46 -91.46 -91.46 . . 0 "[ ]"
110 . 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 THR N 77.48 171.00 99.58 99.58 99.58 . . 0 "[ ]"
111 . 1 79 THR C 1 80 THR N 1 80 THR CA 1 80 THR C -151.75 -65.47 -63.55 -63.55 -63.55 1.92 1 0 "[ ]"
112 . 1 80 THR N 1 80 THR CA 1 80 THR C 1 81 PRO N 92.02 178.42 136.85 136.85 136.85 . . 0 "[ ]"
113 . 1 83 ASP C 1 84 TRP N 1 84 TRP CA 1 84 TRP C -132.00 -72.00 -105.80 -105.80 -105.80 . . 0 "[ ]"
114 . 1 84 TRP N 1 84 TRP CA 1 84 TRP C 1 85 TYR N -40.00 36.00 -40.70 -40.70 -40.70 0.70 1 0 "[ ]"
115 . 1 86 GLU C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -82.29 -42.29 -42.30 -42.30 -42.30 . . 0 "[ ]"
116 . 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 GLU N -57.13 -17.13 -42.95 -42.95 -42.95 . . 0 "[ ]"
117 . 1 87 ASP C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -85.89 -45.89 -86.30 -86.30 -86.30 0.41 1 0 "[ ]"
118 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 GLU N -61.20 -21.20 -20.92 -20.92 -20.92 0.28 1 0 "[ ]"
119 . 1 88 GLU C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -83.59 -43.59 -68.73 -68.73 -68.73 . . 0 "[ ]"
120 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 ASN N -62.10 -22.10 -27.60 -27.60 -27.60 . . 0 "[ ]"
121 . 1 89 GLU C 1 90 ASN N 1 90 ASN CA 1 90 ASN C -86.35 -46.35 -52.84 -52.84 -52.84 . . 0 "[ ]"
122 . 1 90 ASN N 1 90 ASN CA 1 90 ASN C 1 91 ALA N -60.72 -20.72 -47.88 -47.88 -47.88 . . 0 "[ ]"
123 . 1 90 ASN C 1 91 ALA N 1 91 ALA CA 1 91 ALA C -85.94 -45.94 -89.42 -89.42 -89.42 3.48 1 0 "[ ]"
124 . 1 91 ALA N 1 91 ALA CA 1 91 ALA C 1 92 VAL N -58.32 -18.32 -19.43 -19.43 -19.43 . . 0 "[ ]"
125 . 1 91 ALA C 1 92 VAL N 1 92 VAL CA 1 92 VAL C -84.00 -44.00 -84.59 -84.59 -84.59 0.59 1 0 "[ ]"
126 . 1 92 VAL N 1 92 VAL CA 1 92 VAL C 1 93 VAL N -71.00 -19.00 -51.96 -51.96 -51.96 . . 0 "[ ]"
127 . 1 92 VAL C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -87.00 -35.00 -54.15 -54.15 -54.15 . . 0 "[ ]"
128 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 ALA N -59.00 -11.00 -40.27 -40.27 -40.27 . . 0 "[ ]"
129 . 1 93 VAL C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -83.88 -43.88 -61.76 -61.76 -61.76 . . 0 "[ ]"
130 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 LYS N -59.78 -19.78 -35.93 -35.93 -35.93 . . 0 "[ ]"
131 . 1 94 ALA C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -87.70 -47.70 -49.84 -49.84 -49.84 . . 0 "[ ]"
132 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 PHE N -58.60 -18.60 -33.03 -33.03 -33.03 . . 0 "[ ]"
133 . 1 95 LYS C 1 96 PHE N 1 96 PHE CA 1 96 PHE C -86.52 -46.52 -69.22 -69.22 -69.22 . . 0 "[ ]"
134 . 1 96 PHE N 1 96 PHE CA 1 96 PHE C 1 97 GLN N -61.33 -21.33 -52.89 -52.89 -52.89 . . 0 "[ ]"
135 . 1 96 PHE C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -88.08 -48.08 -45.63 -45.63 -45.63 2.45 1 0 "[ ]"
136 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 LYS N -60.57 -8.17 -30.30 -30.30 -30.30 . . 0 "[ ]"
137 . 1 97 GLN C 1 98 LYS N 1 98 LYS CA 1 98 LYS C -84.92 -44.92 -77.69 -77.69 -77.69 . . 0 "[ ]"
138 . 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 LEU N -57.76 -17.76 -54.78 -54.78 -54.78 . . 0 "[ ]"
139 . 1 98 LYS C 1 99 LEU N 1 99 LEU CA 1 99 LEU C -86.31 -46.31 -50.51 -50.51 -50.51 . . 0 "[ ]"
140 . 1 99 LEU N 1 99 LEU CA 1 99 LEU C 1 100 LEU N -61.64 -21.64 -20.88 -20.88 -20.88 0.76 1 0 "[ ]"
141 . 1 99 LEU C 1 100 LEU N 1 100 LEU CA 1 100 LEU C -82.03 -42.03 -74.57 -74.57 -74.57 . . 0 "[ ]"
142 . 1 100 LEU N 1 100 LEU CA 1 100 LEU C 1 101 GLU N -60.06 -20.06 -57.42 -57.42 -57.42 . . 0 "[ ]"
143 . 1 100 LEU C 1 101 GLU N 1 101 GLU CA 1 101 GLU C -86.65 -46.65 -61.63 -61.63 -61.63 . . 0 "[ ]"
144 . 1 101 GLU N 1 101 GLU CA 1 101 GLU C 1 102 VAL N -68.93 -14.41 -36.98 -36.98 -36.98 . . 0 "[ ]"
145 . 1 101 GLU C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -83.55 -43.55 -85.44 -85.44 -85.44 1.89 1 0 "[ ]"
146 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 ILE N -54.18 -14.18 -34.21 -34.21 -34.21 . . 0 "[ ]"
147 . 1 102 VAL C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -95.63 -50.27 -98.96 -98.96 -98.96 3.33 1 0 "[ ]"
148 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 LYS N -61.69 -21.69 -30.77 -30.77 -30.77 . . 0 "[ ]"
149 . 1 103 ILE C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -83.71 -43.71 -85.69 -85.69 -85.69 1.98 1 0 "[ ]"
150 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 SER N -60.64 -20.64 -44.07 -44.07 -44.07 . . 0 "[ ]"
151 . 1 104 LYS C 1 105 SER N 1 105 SER CA 1 105 SER C -129.00 -41.00 -86.66 -86.66 -86.66 . . 0 "[ ]"
152 . 1 105 SER N 1 105 SER CA 1 105 SER C 1 106 ASN N -64.00 24.00 -44.46 -44.46 -44.46 . . 0 "[ ]"
153 . 1 106 ASN C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -157.00 -69.00 -72.82 -72.82 -72.82 . . 0 "[ ]"
154 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 LYS N 108.00 168.00 170.63 170.63 170.63 2.63 1 0 "[ ]"
155 . 1 107 LEU C 1 108 LYS N 1 108 LYS CA 1 108 LYS C -147.00 -35.00 -41.61 -41.61 -41.61 . . 0 "[ ]"
156 . 1 108 LYS N 1 108 LYS CA 1 108 LYS C 1 109 ASN N 104.00 168.00 127.67 127.67 127.67 . . 0 "[ ]"
157 . 1 108 LYS C 1 109 ASN N 1 109 ASN CA 1 109 ASN C -143.00 -31.00 -41.12 -41.12 -41.12 . . 0 "[ ]"
158 . 1 109 ASN N 1 109 ASN CA 1 109 ASN C 1 110 PRO N 61.00 177.00 98.03 98.03 98.03 . . 0 "[ ]"
159 . 1 109 ASN C 1 110 PRO N 1 110 PRO CA 1 110 PRO C -140.39 -45.99 -48.22 -48.22 -48.22 . . 0 "[ ]"
160 . 1 110 PRO N 1 110 PRO CA 1 110 PRO C 1 111 GLN N 103.81 156.25 157.47 157.47 157.47 1.22 1 0 "[ ]"
161 . 1 110 PRO C 1 111 GLN N 1 111 GLN CA 1 111 GLN C -162.00 -110.00 -106.06 -106.06 -106.06 3.94 1 0 "[ ]"
162 . 1 111 GLN N 1 111 GLN CA 1 111 GLN C 1 112 VAL N 123.00 171.00 125.46 125.46 125.46 . . 0 "[ ]"
163 . 1 111 GLN C 1 112 VAL N 1 112 VAL CA 1 112 VAL C -144.36 -76.88 -79.33 -79.33 -79.33 . . 0 "[ ]"
164 . 1 112 VAL N 1 112 VAL CA 1 112 VAL C 1 113 TYR N 92.85 148.57 145.04 145.04 145.04 . . 0 "[ ]"
165 . 1 112 VAL C 1 113 TYR N 1 113 TYR CA 1 113 TYR C -133.00 -79.68 -135.88 -135.88 -135.88 2.88 1 0 "[ ]"
166 . 1 113 TYR N 1 113 TYR CA 1 113 TYR C 1 114 ARG N 118.74 165.30 117.35 117.35 117.35 1.39 1 0 "[ ]"
167 . 1 113 TYR C 1 114 ARG N 1 114 ARG CA 1 114 ARG C -166.77 -63.09 -113.19 -113.19 -113.19 . . 0 "[ ]"
168 . 1 114 ARG N 1 114 ARG CA 1 114 ARG C 1 115 LEU N 101.16 160.68 117.47 117.47 117.47 . . 0 "[ ]"
169 . 1 114 ARG C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -130.11 -80.59 -138.54 -138.54 -138.54 8.43 1 1 [+]
170 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 GLY N 111.78 151.78 113.17 113.17 113.17 . . 0 "[ ]"
171 . 1 115 LEU C 1 116 GLY N 1 116 GLY CA 1 116 GLY C 160.00 -80.00 159.34 159.34 159.34 0.66 1 0 "[ ]"
172 . 1 116 GLY N 1 116 GLY CA 1 116 GLY C 1 117 GLU N 40.00 -140.00 143.42 143.42 143.42 . . 0 "[ ]"
173 . 1 116 GLY C 1 117 GLU N 1 117 GLU CA 1 117 GLU C -135.45 -56.33 -104.47 -104.47 -104.47 . . 0 "[ ]"
174 . 1 117 GLU N 1 117 GLU CA 1 117 GLU C 1 118 VAL N 106.30 -172.30 106.18 106.18 106.18 0.12 1 0 "[ ]"
175 . 1 118 VAL C 1 119 GLU N 1 119 GLU CA 1 119 GLU C 160.00 -80.00 -143.45 -143.45 -143.45 . . 0 "[ ]"
176 . 1 119 GLU N 1 119 GLU CA 1 119 GLU C 1 120 LEU N 40.00 -140.00 75.45 75.45 75.45 . . 0 "[ ]"
177 . 1 119 GLU C 1 120 LEU N 1 120 LEU CA 1 120 LEU C -121.34 -71.90 -71.58 -71.58 -71.58 0.32 1 0 "[ ]"
178 . 1 120 LEU N 1 120 LEU CA 1 120 LEU C 1 121 ASP N 95.61 171.73 172.15 172.15 172.15 0.42 1 0 "[ ]"
179 . 1 120 LEU C 1 121 ASP N 1 121 ASP CA 1 121 ASP C -178.84 -89.12 -113.75 -113.75 -113.75 . . 0 "[ ]"
180 . 1 121 ASP N 1 121 ASP CA 1 121 ASP C 1 122 VAL N 118.95 163.35 125.84 125.84 125.84 . . 0 "[ ]"
181 . 1 121 ASP C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -146.68 -72.24 -98.32 -98.32 -98.32 . . 0 "[ ]"
182 . 1 122 VAL N 1 122 VAL CA 1 122 VAL C 1 123 TYR N 109.52 151.92 135.81 135.81 135.81 . . 0 "[ ]"
183 . 1 122 VAL C 1 123 TYR N 1 123 TYR CA 1 123 TYR C -165.00 -77.00 -124.01 -124.01 -124.01 . . 0 "[ ]"
184 . 1 123 TYR N 1 123 TYR CA 1 123 TYR C 1 124 VAL N 96.00 160.00 138.64 138.64 138.64 . . 0 "[ ]"
185 . 1 123 TYR C 1 124 VAL N 1 124 VAL CA 1 124 VAL C -135.00 -67.00 -135.79 -135.79 -135.79 0.79 1 0 "[ ]"
186 . 1 124 VAL N 1 124 VAL CA 1 124 VAL C 1 125 ILE N 100.00 144.00 118.79 118.79 118.79 . . 0 "[ ]"
187 . 1 124 VAL C 1 125 ILE N 1 125 ILE CA 1 125 ILE C -140.00 -88.00 -140.95 -140.95 -140.95 0.95 1 0 "[ ]"
188 . 1 125 ILE N 1 125 ILE CA 1 125 ILE C 1 126 GLY N 106.00 170.00 128.67 128.67 128.67 . . 0 "[ ]"
189 . 1 125 ILE C 1 126 GLY N 1 126 GLY CA 1 126 GLY C 163.00 -101.00 -99.82 -99.82 -99.82 1.18 1 0 "[ ]"
190 . 1 126 GLY N 1 126 GLY CA 1 126 GLY C 1 127 GLU N 124.00 -160.00 -164.20 -164.20 -164.20 . . 0 "[ ]"
191 . 1 126 GLY C 1 127 GLU N 1 127 GLU CA 1 127 GLU C -153.05 -81.69 -145.73 -145.73 -145.73 . . 0 "[ ]"
192 . 1 127 GLU N 1 127 GLU CA 1 127 GLU C 1 128 THR N 99.83 168.35 94.39 94.39 94.39 5.44 1 1 [+]
193 . 1 127 GLU C 1 128 THR N 1 128 THR CA 1 128 THR C 160.00 -80.00 -170.46 -170.46 -170.46 . . 0 "[ ]"
194 . 1 128 THR N 1 128 THR CA 1 128 THR C 1 129 PRO N 40.00 -140.00 27.56 27.56 27.56 12.44 1 1 [+]
195 . 1 128 THR C 1 129 PRO N 1 129 PRO CA 1 129 PRO C -81.09 -41.09 -82.10 -82.10 -82.10 1.01 1 0 "[ ]"
196 . 1 129 PRO N 1 129 PRO CA 1 129 PRO C 1 130 ALA N -37.88 2.12 -48.77 -48.77 -48.77 10.89 1 1 [+]
197 . 1 129 PRO C 1 130 ALA N 1 130 ALA CA 1 130 ALA C -119.01 -61.97 -125.88 -125.88 -125.88 6.87 1 1 [+]
198 . 1 130 ALA N 1 130 ALA CA 1 130 ALA C 1 131 GLY N -26.70 30.50 -5.13 -5.13 -5.13 . . 0 "[ ]"
199 . 1 131 GLY C 1 132 ASN N 1 132 ASN CA 1 132 ASN C 160.00 -80.00 158.96 158.96 158.96 1.04 1 0 "[ ]"
200 . 1 132 ASN N 1 132 ASN CA 1 132 ASN C 1 133 LEU N 40.00 -140.00 108.76 108.76 108.76 . . 0 "[ ]"
201 . 1 132 ASN C 1 133 LEU N 1 133 LEU CA 1 133 LEU C 160.00 -80.00 153.03 153.03 153.03 6.97 1 1 [+]
202 . 1 133 LEU N 1 133 LEU CA 1 133 LEU C 1 134 ALA N 40.00 -140.00 44.35 44.35 44.35 . . 0 "[ ]"
203 . 1 133 LEU C 1 134 ALA N 1 134 ALA CA 1 134 ALA C 160.00 -80.00 -177.64 -177.64 -177.64 . . 0 "[ ]"
204 . 1 134 ALA N 1 134 ALA CA 1 134 ALA C 1 135 GLY N 40.00 -140.00 136.18 136.18 136.18 . . 0 "[ ]"
205 . 1 134 ALA C 1 135 GLY N 1 135 GLY CA 1 135 GLY C 160.00 -80.00 -165.44 -165.44 -165.44 . . 0 "[ ]"
206 . 1 135 GLY N 1 135 GLY CA 1 135 GLY C 1 136 ILE N 40.00 -140.00 -140.50 -140.50 -140.50 . . 0 "[ ]"
207 . 1 135 GLY C 1 136 ILE N 1 136 ILE CA 1 136 ILE C -175.00 -83.00 -138.34 -138.34 -138.34 . . 0 "[ ]"
208 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C 1 137 SER N 99.00 -169.00 -172.98 -172.98 -172.98 . . 0 "[ ]"
209 . 1 136 ILE C 1 137 SER N 1 137 SER CA 1 137 SER C -170.96 -65.40 -171.33 -171.33 -171.33 0.37 1 0 "[ ]"
210 . 1 137 SER N 1 137 SER CA 1 137 SER C 1 138 THR N 96.52 -178.12 152.06 152.06 152.06 . . 0 "[ ]"
211 . 1 137 SER C 1 138 THR N 1 138 THR CA 1 138 THR C -159.28 -64.68 -148.39 -148.39 -148.39 . . 0 "[ ]"
212 . 1 138 THR N 1 138 THR CA 1 138 THR C 1 139 LYS N 96.83 161.87 165.03 165.03 165.03 3.16 1 0 "[ ]"
213 . 1 138 THR C 1 139 LYS N 1 139 LYS CA 1 139 LYS C -151.96 -58.44 -94.84 -94.84 -94.84 . . 0 "[ ]"
214 . 1 139 LYS N 1 139 LYS CA 1 139 LYS C 1 140 VAL N 115.39 167.15 161.71 161.71 161.71 . . 0 "[ ]"
215 . 1 139 LYS C 1 140 VAL N 1 140 VAL CA 1 140 VAL C -174.58 -111.74 -160.60 -160.60 -160.60 . . 0 "[ ]"
216 . 1 140 VAL N 1 140 VAL CA 1 140 VAL C 1 141 VAL N 96.89 -171.63 129.04 129.04 129.04 . . 0 "[ ]"
217 . 1 140 VAL C 1 141 VAL N 1 141 VAL CA 1 141 VAL C -145.18 -73.14 -75.45 -75.45 -75.45 . . 0 "[ ]"
218 . 1 141 VAL N 1 141 VAL CA 1 141 VAL C 1 142 GLU N 98.15 152.63 92.07 92.07 92.07 6.08 1 1 [+]
219 . 1 141 VAL C 1 142 GLU N 1 142 GLU CA 1 142 GLU C -148.00 -80.00 -152.94 -152.94 -152.94 4.94 1 0 "[ ]"
220 . 1 142 GLU N 1 142 GLU CA 1 142 GLU C 1 143 THR N 98.00 162.00 149.87 149.87 149.87 . . 0 "[ ]"
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