NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424864 |
2g7j   |
7063 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2g7j
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 219
_TA_constraint_stats_list.Viol_count 326
_TA_constraint_stats_list.Viol_total 5555.59
_TA_constraint_stats_list.Viol_max 5.67
_TA_constraint_stats_list.Viol_rms 0.33
_TA_constraint_stats_list.Viol_average_all_restraints 0.06
_TA_constraint_stats_list.Viol_average_violations_only 0.85
_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 3 LEU C 1 4 ARG N 1 4 ARG CA 1 4 ARG C -180.00 105.00 -72.92 -67.39 -69.50 . . 0 "[ . 1 . 2]"
2 . 1 46 ARG C 1 47 THR N 1 47 THR CA 1 47 THR C -165.00 80.00 -120.03 81.29 -73.08 1.29 19 0 "[ . 1 . 2]"
3 . 1 53 PRO C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -80.00 -160.00 80.29 160.23 74.67 . . 0 "[ . 1 . 2]"
4 . 1 71 THR C 1 72 CYS N 1 72 CYS CA 1 72 CYS C -75.00 -165.00 -162.52 167.26 -78.05 5.63 14 1 "[ . 1 +. 2]"
5 . 1 73 ASP C 1 74 HIS N 1 74 HIS CA 1 74 HIS C -180.00 105.00 -103.05 -69.18 -78.06 . . 0 "[ . 1 . 2]"
6 . 1 77 ASN C 1 78 PHE N 1 78 PHE CA 1 78 PHE C -175.00 100.00 -175.27 101.76 101.61 1.98 2 0 "[ . 1 . 2]"
7 . 1 84 GLY C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -180.00 110.00 -78.77 -129.52 69.08 . . 0 "[ . 1 . 2]"
8 . 1 85 GLU C 1 86 THR N 1 86 THR CA 1 86 THR C -170.00 95.00 -84.65 -72.29 -77.69 . . 0 "[ . 1 . 2]"
9 . 1 87 HIS C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -175.00 100.00 -118.61 -105.41 -114.05 . . 0 "[ . 1 . 2]"
10 . 1 96 PHE C 1 97 SER N 1 97 SER CA 1 97 SER C -85.00 -155.00 -134.41 -154.35 -85.35 2.85 1 0 "[ . 1 . 2]"
11 . 1 5 PRO N 1 5 PRO CA 1 5 PRO C 1 6 ASP N -90.66 9.34 -42.53 -57.69 -32.22 . . 0 "[ . 1 . 2]"
12 . 1 5 PRO C 1 6 ASP N 1 6 ASP CA 1 6 ASP C -102.34 -22.34 -60.11 -61.87 -54.63 . . 0 "[ . 1 . 2]"
13 . 1 6 ASP N 1 6 ASP CA 1 6 ASP C 1 7 GLU N -91.27 8.73 -41.89 -45.51 -46.38 . . 0 "[ . 1 . 2]"
14 . 1 6 ASP C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -108.34 -28.34 -66.02 -66.29 -69.88 . . 0 "[ . 1 . 2]"
15 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 VAL N -87.04 12.96 -42.20 -51.16 -35.63 . . 0 "[ . 1 . 2]"
16 . 1 7 GLU C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -104.59 -24.59 -59.67 -63.08 -55.32 . . 0 "[ . 1 . 2]"
17 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 ALA N -93.24 6.76 -46.90 -44.10 -45.38 . . 0 "[ . 1 . 2]"
18 . 1 8 VAL C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -101.32 -21.32 -59.90 -57.89 -59.69 . . 0 "[ . 1 . 2]"
19 . 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 ARG N -95.17 4.83 -40.17 -39.79 -40.45 . . 0 "[ . 1 . 2]"
20 . 1 9 ALA C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -101.49 -21.49 -59.42 -59.04 -59.52 . . 0 "[ . 1 . 2]"
21 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 VAL N -87.03 12.97 -44.33 -52.09 -36.48 . . 0 "[ . 1 . 2]"
22 . 1 10 ARG C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -106.47 -26.47 -65.19 -73.12 -58.98 . . 0 "[ . 1 . 2]"
23 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 LEU N -96.39 3.61 -39.62 -34.19 -36.19 . . 0 "[ . 1 . 2]"
24 . 1 11 VAL C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -101.33 -21.33 -59.92 -60.16 -60.25 . . 0 "[ . 1 . 2]"
25 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 GLU N -91.02 8.98 -45.98 -55.52 -37.65 . . 0 "[ . 1 . 2]"
26 . 1 12 LEU C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -102.70 -22.70 -58.46 -61.05 -54.65 . . 0 "[ . 1 . 2]"
27 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 LYS N -88.19 11.81 -40.31 -42.29 -43.92 . . 0 "[ . 1 . 2]"
28 . 1 13 GLU C 1 14 LYS N 1 14 LYS CA 1 14 LYS C -106.17 -26.17 -64.05 -58.95 -60.07 . . 0 "[ . 1 . 2]"
29 . 1 14 LYS N 1 14 LYS CA 1 14 LYS C 1 15 ALA N -77.06 22.94 -39.20 -46.78 -24.12 . . 0 "[ . 1 . 2]"
30 . 1 17 PHE C 1 18 THR N 1 18 THR CA 1 18 THR C -145.82 -65.82 -134.00 -119.37 -126.31 0.13 7 0 "[ . 1 . 2]"
31 . 1 18 THR N 1 18 THR CA 1 18 THR C 1 19 VAL N 85.37 -174.63 156.79 166.61 165.35 . . 0 "[ . 1 . 2]"
32 . 1 20 ASP C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -174.40 -94.40 -132.50 -144.80 -150.18 . . 0 "[ . 1 . 2]"
33 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 VAL N 90.59 -169.41 125.62 99.28 165.50 . . 0 "[ . 1 . 2]"
34 . 1 21 VAL C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -146.61 -66.61 -109.52 -100.52 -102.34 . . 0 "[ . 1 . 2]"
35 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 THR N 77.11 177.11 117.64 93.68 134.25 . . 0 "[ . 1 . 2]"
36 . 1 22 VAL C 1 23 THR N 1 23 THR CA 1 23 THR C -143.46 -63.46 -124.98 -137.49 -143.58 0.12 1 0 "[ . 1 . 2]"
37 . 1 23 THR N 1 23 THR CA 1 23 THR C 1 24 ASN N 115.95 -144.05 160.22 147.98 169.38 . . 0 "[ . 1 . 2]"
38 . 1 25 LYS C 1 26 THR N 1 26 THR CA 1 26 THR C -171.06 -91.06 -161.96 -162.10 -163.33 0.47 3 0 "[ . 1 . 2]"
39 . 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 TYR N 101.83 -158.17 144.35 126.27 161.76 . . 0 "[ . 1 . 2]"
40 . 1 26 THR C 1 27 TYR N 1 27 TYR CA 1 27 TYR C -165.44 -85.44 -102.50 -127.77 -85.19 0.25 3 0 "[ . 1 . 2]"
41 . 1 27 TYR N 1 27 TYR CA 1 27 TYR C 1 28 GLY N 89.02 -170.98 112.15 95.95 159.49 . . 0 "[ . 1 . 2]"
42 . 1 28 GLY C 1 29 TYR N 1 29 TYR CA 1 29 TYR C -162.33 -82.33 -118.66 -144.77 -90.22 . . 0 "[ . 1 . 2]"
43 . 1 29 TYR N 1 29 TYR CA 1 29 TYR C 1 30 ARG N 103.62 -156.38 139.91 145.41 143.74 0.13 8 0 "[ . 1 . 2]"
44 . 1 29 TYR C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -165.54 -85.54 -146.44 -161.89 -103.54 . . 0 "[ . 1 . 2]"
45 . 1 30 ARG N 1 30 ARG CA 1 30 ARG C 1 31 ARG N 90.75 -169.25 155.52 148.77 148.41 . . 0 "[ . 1 . 2]"
46 . 1 31 ARG C 1 32 GLY N 1 32 GLY CA 1 32 GLY C 16.37 96.37 78.73 94.72 86.55 1.13 2 0 "[ . 1 . 2]"
47 . 1 32 GLY N 1 32 GLY CA 1 32 GLY C 1 33 GLU N -170.64 -70.64 -120.59 -137.16 -101.55 . . 0 "[ . 1 . 2]"
48 . 1 33 GLU C 1 34 ASN N 1 34 ASN CA 1 34 ASN C -171.09 -91.09 -96.14 -94.11 -95.51 1.14 12 0 "[ . 1 . 2]"
49 . 1 34 ASN N 1 34 ASN CA 1 34 ASN C 1 35 TYR N 86.46 -173.54 113.56 123.73 117.53 . . 0 "[ . 1 . 2]"
50 . 1 34 ASN C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -167.15 -87.15 -113.80 -137.86 -92.12 . . 0 "[ . 1 . 2]"
51 . 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 VAL N 90.47 -169.53 128.18 136.86 132.96 . . 0 "[ . 1 . 2]"
52 . 1 35 TYR C 1 36 VAL N 1 36 VAL CA 1 36 VAL C -173.09 -93.09 -132.51 -147.18 -98.46 . . 0 "[ . 1 . 2]"
53 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 TYR N 102.47 -157.53 151.19 114.06 171.31 . . 0 "[ . 1 . 2]"
54 . 1 36 VAL C 1 37 TYR N 1 37 TYR CA 1 37 TYR C -170.65 -90.65 -121.02 -133.27 -136.08 0.34 9 0 "[ . 1 . 2]"
55 . 1 37 TYR N 1 37 TYR CA 1 37 TYR C 1 38 VAL N 92.90 -167.10 119.47 119.90 119.32 . . 0 "[ . 1 . 2]"
56 . 1 37 TYR C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -150.59 -70.59 -87.82 -113.66 -71.89 . . 0 "[ . 1 . 2]"
57 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 ASN N 76.88 176.88 112.74 111.04 107.96 . . 0 "[ . 1 . 2]"
58 . 1 38 VAL C 1 39 ASN N 1 39 ASN CA 1 39 ASN C -142.74 -62.74 -72.34 -69.95 -70.57 0.33 3 0 "[ . 1 . 2]"
59 . 1 39 ASN N 1 39 ASN CA 1 39 ASN C 1 40 ARG N 96.49 -163.51 113.26 105.23 102.71 . . 0 "[ . 1 . 2]"
60 . 1 39 ASN C 1 40 ARG N 1 40 ARG CA 1 40 ARG C -100.60 -20.60 -78.32 -64.20 -69.80 . . 0 "[ . 1 . 2]"
61 . 1 40 ARG N 1 40 ARG CA 1 40 ARG C 1 41 GLU N -74.45 25.55 -13.56 -36.49 10.17 . . 0 "[ . 1 . 2]"
62 . 1 40 ARG C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -123.10 -43.10 -87.98 -119.71 -72.74 . . 0 "[ . 1 . 2]"
63 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 ALA N -55.39 44.61 8.66 1.54 -3.67 . . 0 "[ . 1 . 2]"
64 . 1 42 ALA C 1 43 ARG N 1 43 ARG CA 1 43 ARG C -97.79 -17.79 -73.62 -91.03 -48.86 . . 0 "[ . 1 . 2]"
65 . 1 43 ARG N 1 43 ARG CA 1 43 ARG C 1 44 MET N -84.26 15.74 -27.27 -16.12 -24.88 . . 0 "[ . 1 . 2]"
66 . 1 48 ALA C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -168.76 -88.76 -102.95 -122.17 -88.68 0.08 13 0 "[ . 1 . 2]"
67 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 ILE N 85.01 -174.99 104.10 103.78 103.15 . . 0 "[ . 1 . 2]"
68 . 1 49 LEU C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -147.08 -67.08 -105.18 -119.09 -91.77 . . 0 "[ . 1 . 2]"
69 . 1 50 ILE N 1 50 ILE CA 1 50 ILE C 1 51 ILE N 76.98 176.98 119.67 87.73 143.31 . . 0 "[ . 1 . 2]"
70 . 1 55 LEU C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -98.35 -18.35 -57.74 -61.17 -49.48 . . 0 "[ . 1 . 2]"
71 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 ASP N -92.07 7.93 -52.28 -54.98 -55.80 . . 0 "[ . 1 . 2]"
72 . 1 56 LYS C 1 57 ASP N 1 57 ASP CA 1 57 ASP C -104.78 -24.78 -64.77 -65.14 -67.12 . . 0 "[ . 1 . 2]"
73 . 1 57 ASP N 1 57 ASP CA 1 57 ASP C 1 58 ARG N -89.14 10.86 -44.52 -35.81 -37.75 . . 0 "[ . 1 . 2]"
74 . 1 57 ASP C 1 58 ARG N 1 58 ARG CA 1 58 ARG C -106.73 -26.73 -62.48 -85.02 -52.55 . . 0 "[ . 1 . 2]"
75 . 1 58 ARG N 1 58 ARG CA 1 58 ARG C 1 59 SER N -93.97 6.03 -52.03 -51.75 -53.74 . . 0 "[ . 1 . 2]"
76 . 1 58 ARG C 1 59 SER N 1 59 SER CA 1 59 SER C -104.58 -24.58 -60.81 -61.52 -60.02 . . 0 "[ . 1 . 2]"
77 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 SER N -84.95 15.05 -37.33 -37.39 -39.37 . . 0 "[ . 1 . 2]"
78 . 1 59 SER C 1 60 SER N 1 60 SER CA 1 60 SER C -104.57 -24.57 -60.40 -60.63 -60.74 . . 0 "[ . 1 . 2]"
79 . 1 60 SER N 1 60 SER CA 1 60 SER C 1 61 SER N -79.67 20.33 -25.31 -35.42 -16.65 . . 0 "[ . 1 . 2]"
80 . 1 60 SER C 1 61 SER N 1 61 SER CA 1 61 SER C -118.47 -38.47 -80.73 -100.13 -65.22 . . 0 "[ . 1 . 2]"
81 . 1 61 SER N 1 61 SER CA 1 61 SER C 1 62 LEU N -77.84 22.16 -8.32 -8.66 -11.24 . . 0 "[ . 1 . 2]"
82 . 1 68 ASP C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -177.36 -97.36 -142.60 -152.88 -133.62 . . 0 "[ . 1 . 2]"
83 . 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 LYS N 98.92 -161.08 147.22 136.65 132.95 . . 0 "[ . 1 . 2]"
84 . 1 69 ILE C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -162.47 -82.47 -122.55 -142.48 -98.42 . . 0 "[ . 1 . 2]"
85 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 THR N 78.26 178.26 115.70 125.45 120.48 . . 0 "[ . 1 . 2]"
86 . 1 75 TYR C 1 76 GLN N 1 76 GLN CA 1 76 GLN C -96.82 -16.82 -70.29 -88.38 -54.82 . . 0 "[ . 1 . 2]"
87 . 1 76 GLN N 1 76 GLN CA 1 76 GLN C 1 77 ASN N -82.61 17.39 -38.45 -50.45 -53.92 2.69 17 0 "[ . 1 . 2]"
88 . 1 79 PRO N 1 79 PRO CA 1 79 PRO C 1 80 LEU N -89.89 10.11 -39.14 -75.76 13.24 3.13 7 0 "[ . 1 . 2]"
89 . 1 80 LEU C 1 81 TYR N 1 81 TYR CA 1 81 TYR C -119.91 -39.91 -73.25 -120.77 -52.03 0.86 3 0 "[ . 1 . 2]"
90 . 1 81 TYR N 1 81 TYR CA 1 81 TYR C 1 82 LEU N 73.42 173.42 117.75 116.50 115.47 . . 0 "[ . 1 . 2]"
91 . 1 89 HIS C 1 90 TYR N 1 90 TYR CA 1 90 TYR C -178.41 -98.41 -126.50 -144.01 -146.35 1.08 8 0 "[ . 1 . 2]"
92 . 1 90 TYR N 1 90 TYR CA 1 90 TYR C 1 91 GLY N 108.45 -151.55 149.64 154.55 149.18 . . 0 "[ . 1 . 2]"
93 . 1 90 TYR C 1 91 GLY N 1 91 GLY CA 1 91 GLY C 172.08 -107.92 -139.02 -157.15 -118.84 . . 0 "[ . 1 . 2]"
94 . 1 91 GLY N 1 91 GLY CA 1 91 GLY C 1 92 ILE N 99.62 -160.38 174.02 172.99 168.87 . . 0 "[ . 1 . 2]"
95 . 1 91 GLY C 1 92 ILE N 1 92 ILE CA 1 92 ILE C -143.97 -63.97 -103.71 -114.09 -89.67 . . 0 "[ . 1 . 2]"
96 . 1 92 ILE N 1 92 ILE CA 1 92 ILE C 1 93 PRO N 77.58 177.58 114.35 109.78 121.70 . . 0 "[ . 1 . 2]"
97 . 1 94 HIS C 1 95 GLY N 1 95 GLY CA 1 95 GLY C 102.19 -177.81 -176.38 -176.36 -176.55 2.29 16 0 "[ . 1 . 2]"
98 . 1 95 GLY N 1 95 GLY CA 1 95 GLY C 1 96 PHE N 159.18 -100.82 158.69 156.71 162.39 2.47 15 0 "[ . 1 . 2]"
99 . 1 98 SER C 1 99 ARG N 1 99 ARG CA 1 99 ARG C -97.80 -17.80 -60.56 -61.91 -59.62 . . 0 "[ . 1 . 2]"
100 . 1 99 ARG N 1 99 ARG CA 1 99 ARG C 1 100 ILE N -88.98 11.02 -44.94 -57.78 -30.64 . . 0 "[ . 1 . 2]"
101 . 1 99 ARG C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -104.71 -24.71 -60.38 -60.08 -60.19 . . 0 "[ . 1 . 2]"
102 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 ALA N -90.51 9.49 -32.01 -37.36 -28.20 . . 0 "[ . 1 . 2]"
103 . 1 100 ILE C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -105.66 -25.66 -65.05 -60.89 -63.07 . . 0 "[ . 1 . 2]"
104 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 LEU N -90.69 9.31 -47.36 -56.42 -37.64 . . 0 "[ . 1 . 2]"
105 . 1 101 ALA C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -105.81 -25.81 -59.42 -55.67 -56.60 . . 0 "[ . 1 . 2]"
106 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 GLU N -91.75 8.25 -40.75 -45.61 -36.30 . . 0 "[ . 1 . 2]"
107 . 1 102 LEU C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -102.99 -22.99 -56.50 -59.02 -60.07 . . 0 "[ . 1 . 2]"
108 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 ARG N -91.98 8.02 -53.98 -67.66 -41.03 . . 0 "[ . 1 . 2]"
109 . 1 103 GLU C 1 104 ARG N 1 104 ARG CA 1 104 ARG C -103.90 -23.90 -67.60 -70.97 -63.32 . . 0 "[ . 1 . 2]"
110 . 1 104 ARG N 1 104 ARG CA 1 104 ARG C 1 105 TYR N -89.53 10.47 -31.38 -25.69 -26.02 . . 0 "[ . 1 . 2]"
111 . 1 104 ARG C 1 105 TYR N 1 105 TYR CA 1 105 TYR C -105.55 -25.55 -67.67 -75.23 -55.86 . . 0 "[ . 1 . 2]"
112 . 1 105 TYR N 1 105 TYR CA 1 105 TYR C 1 106 LEU N -94.04 5.96 -43.74 -40.64 -42.66 . . 0 "[ . 1 . 2]"
113 . 1 105 TYR C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -103.04 -23.04 -59.56 -60.57 -60.58 . . 0 "[ . 1 . 2]"
114 . 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 ASN N -87.46 12.54 -39.01 -48.28 -30.62 . . 0 "[ . 1 . 2]"
115 . 1 106 LEU C 1 107 ASN N 1 107 ASN CA 1 107 ASN C -101.96 -21.96 -62.08 -54.76 -58.34 . . 0 "[ . 1 . 2]"
116 . 1 107 ASN N 1 107 ASN CA 1 107 ASN C 1 108 GLY N -92.20 7.80 -44.86 -51.36 -52.84 . . 0 "[ . 1 . 2]"
117 . 1 107 ASN C 1 108 GLY N 1 108 GLY CA 1 108 GLY C -107.80 -27.80 -79.02 -100.51 -65.55 . . 0 "[ . 1 . 2]"
118 . 1 108 GLY N 1 108 GLY CA 1 108 GLY C 1 109 LEU N -85.07 14.93 -39.25 -54.32 -74.60 . . 0 "[ . 1 . 2]"
119 . 1 108 GLY C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -109.89 -29.89 -76.97 -81.04 -60.67 . . 0 "[ . 1 . 2]"
120 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 PHE N -83.43 16.57 -49.73 -64.32 -0.47 . . 0 "[ . 1 . 2]"
121 . 1 5 PRO C 1 6 ASP N 1 6 ASP CA 1 6 ASP C -60.00 -30.00 -60.11 -61.87 -54.63 1.87 4 0 "[ . 1 . 2]"
122 . 1 6 ASP C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -100.00 -30.00 -66.02 -66.29 -69.88 . . 0 "[ . 1 . 2]"
123 . 1 6 ASP N 1 6 ASP CA 1 6 ASP C 1 7 GLU N -75.00 5.00 -41.89 -45.51 -46.38 . . 0 "[ . 1 . 2]"
124 . 1 7 GLU C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -80.00 -40.00 -59.67 -63.08 -55.32 . . 0 "[ . 1 . 2]"
125 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 VAL N -75.00 5.00 -42.20 -51.16 -35.63 . . 0 "[ . 1 . 2]"
126 . 1 8 VAL C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -60.00 -30.00 -59.90 -57.89 -59.69 0.55 3 0 "[ . 1 . 2]"
127 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 ALA N -75.00 5.00 -46.90 -44.10 -45.38 . . 0 "[ . 1 . 2]"
128 . 1 9 ALA C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -60.00 -30.00 -59.42 -59.04 -59.52 1.13 16 0 "[ . 1 . 2]"
129 . 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 ARG N -75.00 5.00 -40.17 -39.79 -40.45 . . 0 "[ . 1 . 2]"
130 . 1 10 ARG C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -80.00 -45.00 -65.19 -73.12 -58.98 . . 0 "[ . 1 . 2]"
131 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 VAL N -75.00 5.00 -44.33 -52.09 -36.48 . . 0 "[ . 1 . 2]"
132 . 1 11 VAL C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -60.00 -30.00 -59.92 -60.16 -60.25 0.87 8 0 "[ . 1 . 2]"
133 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 LEU N -75.00 5.00 -39.62 -34.19 -36.19 . . 0 "[ . 1 . 2]"
134 . 1 12 LEU C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -60.00 -30.00 -58.46 -61.05 -54.65 1.05 18 0 "[ . 1 . 2]"
135 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 GLU N -75.00 5.00 -45.98 -55.52 -37.65 . . 0 "[ . 1 . 2]"
136 . 1 13 GLU C 1 14 LYS N 1 14 LYS CA 1 14 LYS C -75.00 -40.00 -64.05 -58.95 -60.07 . . 0 "[ . 1 . 2]"
137 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 LYS N -75.00 5.00 -40.31 -42.29 -43.92 . . 0 "[ . 1 . 2]"
138 . 1 14 LYS C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -180.00 110.00 -71.57 -93.70 -55.59 . . 0 "[ . 1 . 2]"
139 . 1 14 LYS N 1 14 LYS CA 1 14 LYS C 1 15 ALA N -75.00 5.00 -39.20 -46.78 -24.12 . . 0 "[ . 1 . 2]"
140 . 1 16 GLY C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -180.00 -70.00 -87.33 -83.49 -85.94 . . 0 "[ . 1 . 2]"
141 . 1 17 PHE C 1 18 THR N 1 18 THR CA 1 18 THR C -165.00 -75.00 -134.00 -119.37 -126.31 . . 0 "[ . 1 . 2]"
142 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 THR N 60.00 180.00 163.67 149.73 179.11 . . 0 "[ . 1 . 2]"
143 . 1 18 THR C 1 19 VAL N 1 19 VAL CA 1 19 VAL C -180.00 -70.00 -85.66 -86.88 -91.24 . . 0 "[ . 1 . 2]"
144 . 1 18 THR N 1 18 THR CA 1 18 THR C 1 19 VAL N 60.00 180.00 156.79 166.61 165.35 . . 0 "[ . 1 . 2]"
145 . 1 19 VAL C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -150.00 -90.00 -106.47 -120.68 -89.87 0.13 7 0 "[ . 1 . 2]"
146 . 1 19 VAL N 1 19 VAL CA 1 19 VAL C 1 20 ASP N 60.00 180.00 140.05 138.25 136.98 . . 0 "[ . 1 . 2]"
147 . 1 21 VAL C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -170.00 90.00 -109.52 -100.52 -102.34 . . 0 "[ . 1 . 2]"
148 . 1 22 VAL C 1 23 THR N 1 23 THR CA 1 23 THR C -170.00 90.00 -124.98 -137.49 -143.58 . . 0 "[ . 1 . 2]"
149 . 1 25 LYS C 1 26 THR N 1 26 THR CA 1 26 THR C -180.00 110.00 -161.96 -162.10 -163.33 . . 0 "[ . 1 . 2]"
150 . 1 28 GLY C 1 29 TYR N 1 29 TYR CA 1 29 TYR C -180.00 -70.00 -118.66 -144.77 -90.22 . . 0 "[ . 1 . 2]"
151 . 1 29 TYR C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -165.00 -75.00 -146.44 -161.89 -103.54 . . 0 "[ . 1 . 2]"
152 . 1 29 TYR N 1 29 TYR CA 1 29 TYR C 1 30 ARG N 60.00 180.00 139.91 145.41 143.74 . . 0 "[ . 1 . 2]"
153 . 1 30 ARG C 1 31 ARG N 1 31 ARG CA 1 31 ARG C -180.00 -70.00 -148.57 -132.24 -135.69 . . 0 "[ . 1 . 2]"
154 . 1 30 ARG N 1 30 ARG CA 1 30 ARG C 1 31 ARG N 60.00 180.00 155.52 148.77 148.41 . . 0 "[ . 1 . 2]"
155 . 1 31 ARG N 1 31 ARG CA 1 31 ARG C 1 32 GLY N 60.00 180.00 94.99 65.62 130.40 . . 0 "[ . 1 . 2]"
156 . 1 32 GLY C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -180.00 105.00 -99.98 -89.43 -95.15 . . 0 "[ . 1 . 2]"
157 . 1 34 ASN C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -165.00 -75.00 -113.80 -137.86 -92.12 . . 0 "[ . 1 . 2]"
158 . 1 35 TYR C 1 36 VAL N 1 36 VAL CA 1 36 VAL C -165.00 -75.00 -132.51 -147.18 -98.46 . . 0 "[ . 1 . 2]"
159 . 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 VAL N 60.00 180.00 128.18 136.86 132.96 . . 0 "[ . 1 . 2]"
160 . 1 36 VAL C 1 37 TYR N 1 37 TYR CA 1 37 TYR C -170.00 -70.00 -121.02 -133.27 -136.08 . . 0 "[ . 1 . 2]"
161 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 TYR N 60.00 180.00 151.19 114.06 171.31 . . 0 "[ . 1 . 2]"
162 . 1 37 TYR C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -165.00 85.00 -87.82 -113.66 -71.89 . . 0 "[ . 1 . 2]"
163 . 1 37 TYR N 1 37 TYR CA 1 37 TYR C 1 38 VAL N 60.00 180.00 119.47 119.90 119.32 . . 0 "[ . 1 . 2]"
164 . 1 40 ARG C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -175.00 100.00 -87.98 -119.71 -72.74 . . 0 "[ . 1 . 2]"
165 . 1 41 GLU C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -180.00 115.00 -77.92 -94.50 -68.34 . . 0 "[ . 1 . 2]"
166 . 1 47 THR C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -75.00 -165.00 -95.69 -161.89 -63.59 4.55 20 0 "[ . 1 . 2]"
167 . 1 48 ALA C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -175.00 100.00 -102.95 -122.17 -88.68 . . 0 "[ . 1 . 2]"
168 . 1 49 LEU C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -180.00 100.00 -105.18 -119.09 -91.77 . . 0 "[ . 1 . 2]"
169 . 1 55 LEU C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -60.00 -30.00 -57.74 -61.17 -49.48 1.17 2 0 "[ . 1 . 2]"
170 . 1 56 LYS C 1 57 ASP N 1 57 ASP CA 1 57 ASP C -80.00 -40.00 -64.77 -65.14 -67.12 . . 0 "[ . 1 . 2]"
171 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 ASP N -75.00 5.00 -52.28 -54.98 -55.80 . . 0 "[ . 1 . 2]"
172 . 1 57 ASP C 1 58 ARG N 1 58 ARG CA 1 58 ARG C -85.00 -45.00 -62.48 -85.02 -52.55 0.02 9 0 "[ . 1 . 2]"
173 . 1 57 ASP N 1 57 ASP CA 1 57 ASP C 1 58 ARG N -75.00 5.00 -44.52 -35.81 -37.75 . . 0 "[ . 1 . 2]"
174 . 1 58 ARG C 1 59 SER N 1 59 SER CA 1 59 SER C -60.00 -30.00 -60.81 -61.52 -60.02 1.52 4 0 "[ . 1 . 2]"
175 . 1 58 ARG N 1 58 ARG CA 1 58 ARG C 1 59 SER N -75.00 5.00 -52.03 -51.75 -53.74 . . 0 "[ . 1 . 2]"
176 . 1 59 SER C 1 60 SER N 1 60 SER CA 1 60 SER C -60.00 -30.00 -60.40 -60.63 -60.74 1.08 1 0 "[ . 1 . 2]"
177 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 SER N -75.00 5.00 -37.33 -37.39 -39.37 . . 0 "[ . 1 . 2]"
178 . 1 60 SER N 1 60 SER CA 1 60 SER C 1 61 SER N -75.00 5.00 -25.31 -35.42 -16.65 . . 0 "[ . 1 . 2]"
179 . 1 67 SER C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -80.00 -160.00 -139.56 -157.60 -157.85 3.56 11 0 "[ . 1 . 2]"
180 . 1 68 ASP C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -170.00 -70.00 -142.60 -152.88 -133.62 . . 0 "[ . 1 . 2]"
181 . 1 69 ILE C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -165.00 -75.00 -122.55 -142.48 -98.42 . . 0 "[ . 1 . 2]"
182 . 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 LYS N 60.00 180.00 147.22 136.65 132.95 . . 0 "[ . 1 . 2]"
183 . 1 70 LYS C 1 71 THR N 1 71 THR CA 1 71 THR C -165.00 -75.00 -88.17 -105.78 -74.86 0.14 18 0 "[ . 1 . 2]"
184 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 THR N 60.00 180.00 115.70 125.45 120.48 . . 0 "[ . 1 . 2]"
185 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 CYS N 60.00 180.00 126.94 114.13 108.09 . . 0 "[ . 1 . 2]"
186 . 1 76 GLN C 1 77 ASN N 1 77 ASN CA 1 77 ASN C -80.00 -160.00 28.49 -79.69 66.41 . . 0 "[ . 1 . 2]"
187 . 1 80 LEU C 1 81 TYR N 1 81 TYR CA 1 81 TYR C -180.00 105.00 -73.25 -120.77 -52.03 . . 0 "[ . 1 . 2]"
188 . 1 81 TYR C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -170.00 95.00 -85.76 -122.74 -66.47 . . 0 "[ . 1 . 2]"
189 . 1 89 HIS C 1 90 TYR N 1 90 TYR CA 1 90 TYR C -180.00 -70.00 -126.50 -144.01 -146.35 . . 0 "[ . 1 . 2]"
190 . 1 90 TYR N 1 90 TYR CA 1 90 TYR C 1 91 GLY N 60.00 180.00 149.64 154.55 149.18 . . 0 "[ . 1 . 2]"
191 . 1 90 TYR C 1 91 GLY N 1 91 GLY CA 1 91 GLY C -180.00 -70.00 -139.02 -157.15 -118.84 . . 0 "[ . 1 . 2]"
192 . 1 91 GLY C 1 92 ILE N 1 92 ILE CA 1 92 ILE C -170.00 -70.00 -103.71 -114.09 -89.67 . . 0 "[ . 1 . 2]"
193 . 1 91 GLY N 1 91 GLY CA 1 91 GLY C 1 92 ILE N 60.00 180.00 174.02 172.99 168.87 0.21 8 0 "[ . 1 . 2]"
194 . 1 92 ILE N 1 92 ILE CA 1 92 ILE C 1 93 PRO N 60.00 180.00 114.35 109.78 121.70 . . 0 "[ . 1 . 2]"
195 . 1 93 PRO C 1 94 HIS N 1 94 HIS CA 1 94 HIS C -165.00 85.00 -133.01 -144.20 -101.33 . . 0 "[ . 1 . 2]"
196 . 1 95 GLY C 1 96 PHE N 1 96 PHE CA 1 96 PHE C -145.00 -95.00 -141.28 -137.64 -139.20 0.65 15 0 "[ . 1 . 2]"
197 . 1 98 SER C 1 99 ARG N 1 99 ARG CA 1 99 ARG C -60.00 -30.00 -60.56 -61.91 -59.62 1.91 17 0 "[ . 1 . 2]"
198 . 1 99 ARG C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -60.00 -30.00 -60.38 -60.08 -60.19 1.33 9 0 "[ . 1 . 2]"
199 . 1 99 ARG N 1 99 ARG CA 1 99 ARG C 1 100 ILE N -75.00 5.00 -44.94 -57.78 -30.64 . . 0 "[ . 1 . 2]"
200 . 1 100 ILE C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -75.00 -30.00 -65.05 -60.89 -63.07 . . 0 "[ . 1 . 2]"
201 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 ALA N -75.00 5.00 -32.01 -37.36 -28.20 . . 0 "[ . 1 . 2]"
202 . 1 101 ALA C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -80.00 -45.00 -59.42 -55.67 -56.60 . . 0 "[ . 1 . 2]"
203 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 LEU N -75.00 5.00 -47.36 -56.42 -37.64 . . 0 "[ . 1 . 2]"
204 . 1 102 LEU C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -60.00 -30.00 -56.50 -59.02 -60.07 0.29 1 0 "[ . 1 . 2]"
205 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 GLU N -75.00 5.00 -40.75 -45.61 -36.30 . . 0 "[ . 1 . 2]"
206 . 1 103 GLU C 1 104 ARG N 1 104 ARG CA 1 104 ARG C -70.00 -30.00 -67.60 -70.97 -63.32 0.97 2 0 "[ . 1 . 2]"
207 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 ARG N -75.00 5.00 -53.98 -67.66 -41.03 . . 0 "[ . 1 . 2]"
208 . 1 104 ARG C 1 105 TYR N 1 105 TYR CA 1 105 TYR C -75.00 -35.00 -67.67 -75.23 -55.86 0.23 2 0 "[ . 1 . 2]"
209 . 1 104 ARG N 1 104 ARG CA 1 104 ARG C 1 105 TYR N -75.00 5.00 -31.38 -25.69 -26.02 . . 0 "[ . 1 . 2]"
210 . 1 105 TYR C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -60.00 -30.00 -59.56 -60.57 -60.58 0.58 1 0 "[ . 1 . 2]"
211 . 1 105 TYR N 1 105 TYR CA 1 105 TYR C 1 106 LEU N -75.00 5.00 -43.74 -40.64 -42.66 . . 0 "[ . 1 . 2]"
212 . 1 106 LEU C 1 107 ASN N 1 107 ASN CA 1 107 ASN C -80.00 -45.00 -62.08 -54.76 -58.34 . . 0 "[ . 1 . 2]"
213 . 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 ASN N -75.00 5.00 -39.01 -48.28 -30.62 . . 0 "[ . 1 . 2]"
214 . 1 107 ASN C 1 108 GLY N 1 108 GLY CA 1 108 GLY C -100.00 -30.00 -79.02 -100.51 -65.55 0.51 18 0 "[ . 1 . 2]"
215 . 1 107 ASN N 1 107 ASN CA 1 107 ASN C 1 108 GLY N -75.00 5.00 -44.86 -51.36 -52.84 . . 0 "[ . 1 . 2]"
216 . 1 108 GLY C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -80.00 -40.00 -76.97 -81.04 -60.67 1.04 19 0 "[ . 1 . 2]"
217 . 1 108 GLY N 1 108 GLY CA 1 108 GLY C 1 109 LEU N -75.00 5.00 -39.25 -54.32 -74.60 . . 0 "[ . 1 . 2]"
218 . 1 109 LEU C 1 110 PHE N 1 110 PHE CA 1 110 PHE C -165.00 85.00 -101.00 -95.06 -99.86 5.67 18 1 "[ . 1 . + 2]"
219 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 PHE N -75.00 5.00 -49.73 -64.32 -0.47 . . 0 "[ . 1 . 2]"
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