NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430043 |
2jnb   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jnb
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 200
_TA_constraint_stats_list.Viol_count 414
_TA_constraint_stats_list.Viol_total 4872.45
_TA_constraint_stats_list.Viol_max 6.37
_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 0.59
_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 22 VAL C 1 23 ASN N 1 23 ASN CA 1 23 ASN C -158.90 -11.30 -99.37 -81.78 -91.86 . . 0 "[ . 1 . 2]"
2 . 1 26 ALA C 1 27 TYR N 1 27 TYR CA 1 27 TYR C -160.00 -70.00 -127.39 -160.40 -111.90 0.40 20 0 "[ . 1 . 2]"
3 . 1 28 PRO C 1 29 LEU N 1 29 LEU CA 1 29 LEU C 168.90 -45.70 -122.13 -130.65 -132.39 . . 0 "[ . 1 . 2]"
4 . 1 29 LEU C 1 30 ALA N 1 30 ALA CA 1 30 ALA C -121.00 -37.00 -87.63 -97.19 -106.07 . . 0 "[ . 1 . 2]"
5 . 1 30 ALA C 1 31 ASP N 1 31 ASP CA 1 31 ASP C 163.60 -10.60 -62.10 -56.47 -56.52 . . 0 "[ . 1 . 2]"
6 . 1 31 ASP C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -75.60 -44.60 -59.73 -55.34 -58.18 . . 0 "[ . 1 . 2]"
7 . 1 32 ALA C 1 33 HIS N 1 33 HIS CA 1 33 HIS C -82.20 -50.40 -65.15 -65.05 -68.42 . . 0 "[ . 1 . 2]"
8 . 1 33 HIS C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -87.50 -46.10 -77.14 -87.40 -54.14 . . 0 "[ . 1 . 2]"
9 . 1 34 LEU C 1 35 THR N 1 35 THR CA 1 35 THR C -87.30 -40.10 -60.11 -65.42 -69.69 . . 0 "[ . 1 . 2]"
10 . 1 35 THR C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -79.70 -43.50 -54.75 -57.44 -62.51 . . 0 "[ . 1 . 2]"
11 . 1 36 LYS C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -76.20 -53.80 -71.31 -76.13 -61.95 . . 0 "[ . 1 . 2]"
12 . 1 37 LYS C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -71.10 -54.30 -61.01 -63.97 -66.21 . . 0 "[ . 1 . 2]"
13 . 1 38 LEU C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -76.60 -54.40 -55.92 -54.39 -54.44 0.12 9 0 "[ . 1 . 2]"
14 . 1 39 LEU C 1 40 ASP N 1 40 ASP CA 1 40 ASP C -77.20 -53.40 -65.79 -77.08 -54.25 . . 0 "[ . 1 . 2]"
15 . 1 40 ASP C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -78.20 -52.80 -61.69 -56.14 -58.00 . . 0 "[ . 1 . 2]"
16 . 1 41 LEU C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -88.50 -43.10 -62.24 -55.42 -60.25 . . 0 "[ . 1 . 2]"
17 . 1 42 VAL C 1 43 GLN N 1 43 GLN CA 1 43 GLN C -82.40 -46.00 -61.17 -74.76 -52.53 . . 0 "[ . 1 . 2]"
18 . 1 43 GLN C 1 44 GLN N 1 44 GLN CA 1 44 GLN C -74.70 -59.50 -72.09 -75.82 -59.42 1.12 9 0 "[ . 1 . 2]"
19 . 1 44 GLN C 1 45 SER N 1 45 SER CA 1 45 SER C -99.10 -33.30 -63.44 -72.50 -50.53 . . 0 "[ . 1 . 2]"
20 . 1 45 SER C 1 46 CYS N 1 46 CYS CA 1 46 CYS C -75.10 -53.70 -62.11 -68.96 -54.49 . . 0 "[ . 1 . 2]"
21 . 1 46 CYS C 1 47 ASN N 1 47 ASN CA 1 47 ASN C -74.00 -51.00 -66.47 -74.69 -56.00 0.69 9 0 "[ . 1 . 2]"
22 . 1 47 ASN C 1 48 TYR N 1 48 TYR CA 1 48 TYR C -133.10 -55.90 -96.08 -103.22 -90.52 . . 0 "[ . 1 . 2]"
23 . 1 48 TYR C 1 49 LYS N 1 49 LYS CA 1 49 LYS C 37.50 79.50 59.16 58.09 57.81 . . 0 "[ . 1 . 2]"
24 . 1 49 LYS C 1 50 GLN N 1 50 GLN CA 1 50 GLN C 171.10 -14.70 -137.64 -154.18 -129.97 . . 0 "[ . 1 . 2]"
25 . 1 50 GLN C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -169.00 -87.00 -167.18 -169.06 -169.08 0.21 8 0 "[ . 1 . 2]"
26 . 1 51 LEU C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -170.30 -79.50 -157.07 -155.32 -156.53 . . 0 "[ . 1 . 2]"
27 . 1 52 ARG C 1 53 LYS N 1 53 LYS CA 1 53 LYS C 170.00 -54.20 -132.14 -142.43 -150.58 . . 0 "[ . 1 . 2]"
28 . 1 53 LYS C 1 54 GLY N 1 54 GLY CA 1 54 GLY C -173.00 -41.00 -172.51 -173.12 -165.75 0.12 15 0 "[ . 1 . 2]"
29 . 1 54 GLY C 1 55 ALA N 1 55 ALA CA 1 55 ALA C -78.60 -41.60 -71.00 -69.55 -70.13 0.05 3 0 "[ . 1 . 2]"
30 . 1 56 ASN C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -77.50 -47.30 -67.37 -75.07 -77.25 . . 0 "[ . 1 . 2]"
31 . 1 57 GLU C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -82.40 -51.40 -55.44 -56.22 -57.12 . . 0 "[ . 1 . 2]"
32 . 1 58 ALA C 1 59 THR N 1 59 THR CA 1 59 THR C -97.00 -44.80 -66.29 -56.25 -60.60 . . 0 "[ . 1 . 2]"
33 . 1 59 THR C 1 60 LYS N 1 60 LYS CA 1 60 LYS C -80.10 -42.10 -72.03 -77.43 -78.42 0.16 19 0 "[ . 1 . 2]"
34 . 1 60 LYS C 1 61 THR N 1 61 THR CA 1 61 THR C -94.60 -35.00 -53.55 -55.11 -55.68 . . 0 "[ . 1 . 2]"
35 . 1 61 THR C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -75.50 -53.90 -62.83 -67.63 -74.73 0.29 14 0 "[ . 1 . 2]"
36 . 1 62 LEU C 1 63 ASN N 1 63 ASN CA 1 63 ASN C -93.10 -40.30 -67.04 -82.26 -53.09 . . 0 "[ . 1 . 2]"
37 . 1 63 ASN C 1 64 ARG N 1 64 ARG CA 1 64 ARG C -113.60 -64.00 -78.72 -78.35 -79.00 . . 0 "[ . 1 . 2]"
38 . 1 64 ARG C 1 65 GLY N 1 65 GLY CA 1 65 GLY C 37.00 115.00 86.83 67.08 99.37 . . 0 "[ . 1 . 2]"
39 . 1 65 GLY C 1 66 ILE N 1 66 ILE CA 1 66 ILE C -145.00 -85.00 -135.91 -144.16 -144.83 0.06 1 0 "[ . 1 . 2]"
40 . 1 66 ILE C 1 67 SER N 1 67 SER CA 1 67 SER C -90.30 -54.30 -88.98 -90.55 -73.78 0.25 2 0 "[ . 1 . 2]"
41 . 1 67 SER C 1 68 GLU N 1 68 GLU CA 1 68 GLU C -108.00 -30.00 -91.66 -108.12 -54.12 0.12 16 0 "[ . 1 . 2]"
42 . 1 69 PHE C 1 70 ILE N 1 70 ILE CA 1 70 ILE C -157.50 -91.50 -131.97 -141.90 -143.74 . . 0 "[ . 1 . 2]"
43 . 1 70 ILE C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -167.10 -63.50 -123.62 -124.12 -125.15 . . 0 "[ . 1 . 2]"
44 . 1 71 VAL C 1 72 MET N 1 72 MET CA 1 72 MET C 179.40 -82.20 -141.87 -162.71 -122.87 . . 0 "[ . 1 . 2]"
45 . 1 72 MET C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -168.30 -43.50 -82.27 -112.73 -54.81 . . 0 "[ . 1 . 2]"
46 . 1 73 ALA C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -71.00 -53.00 -59.69 -70.93 -55.20 . . 0 "[ . 1 . 2]"
47 . 1 74 ALA C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -129.00 -69.00 -108.05 -107.96 -110.97 . . 0 "[ . 1 . 2]"
48 . 1 75 ASP C 1 76 ALA N 1 76 ALA CA 1 76 ALA C 166.00 28.00 -105.74 -131.73 -64.65 . . 0 "[ . 1 . 2]"
49 . 1 76 ALA C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -165.10 -72.30 -130.07 -156.78 -109.11 . . 0 "[ . 1 . 2]"
50 . 1 78 PRO C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -92.00 -20.00 -87.40 -92.25 -66.42 0.25 16 0 "[ . 1 . 2]"
51 . 1 79 LEU C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -80.70 -44.50 -54.35 -59.29 -51.28 . . 0 "[ . 1 . 2]"
52 . 1 80 GLU C 1 81 ILE N 1 81 ILE CA 1 81 ILE C -114.00 -31.40 -62.29 -69.26 -82.00 . . 0 "[ . 1 . 2]"
53 . 1 81 ILE C 1 82 ILE N 1 82 ILE CA 1 82 ILE C -154.80 -47.80 -69.95 -61.67 -64.52 . . 0 "[ . 1 . 2]"
54 . 1 82 ILE C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -99.00 -27.00 -81.82 -87.72 -91.05 . . 0 "[ . 1 . 2]"
55 . 1 83 LEU C 1 84 HIS N 1 84 HIS CA 1 84 HIS C -88.40 -42.80 -74.94 -85.51 -66.24 . . 0 "[ . 1 . 2]"
56 . 1 84 HIS C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -93.10 -29.70 -52.66 -51.31 -51.64 . . 0 "[ . 1 . 2]"
57 . 1 86 PRO C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -84.90 -40.30 -81.82 -85.08 -58.91 0.18 20 0 "[ . 1 . 2]"
58 . 1 87 LEU C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -110.40 -42.80 -109.33 -111.56 -111.70 1.87 10 0 "[ . 1 . 2]"
59 . 1 88 LEU C 1 89 CYS N 1 89 CYS CA 1 89 CYS C -170.10 -35.10 -163.29 -171.11 -171.35 1.93 20 0 "[ . 1 . 2]"
60 . 1 89 CYS C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -79.30 -44.90 -54.96 -50.18 -51.32 . . 0 "[ . 1 . 2]"
61 . 1 90 GLU C 1 91 ASP N 1 91 ASP CA 1 91 ASP C -91.00 -40.40 -64.98 -56.31 -56.93 1.34 18 0 "[ . 1 . 2]"
62 . 1 91 ASP C 1 92 LYS N 1 92 LYS CA 1 92 LYS C -134.50 -62.30 -90.61 -89.56 -90.31 . . 0 "[ . 1 . 2]"
63 . 1 93 ASN C 1 94 VAL N 1 94 VAL CA 1 94 VAL C 174.70 -32.90 -141.31 -108.10 -136.39 . . 0 "[ . 1 . 2]"
64 . 1 95 PRO C 1 96 TYR N 1 96 TYR CA 1 96 TYR C 169.00 -103.00 -155.22 -168.39 -171.92 . . 0 "[ . 1 . 2]"
65 . 1 96 TYR C 1 97 VAL N 1 97 VAL CA 1 97 VAL C 161.10 -90.90 -155.75 -177.34 -90.83 0.07 10 0 "[ . 1 . 2]"
66 . 1 97 VAL C 1 98 PHE N 1 98 PHE CA 1 98 PHE C -156.20 -71.80 -106.67 -141.06 -91.33 . . 0 "[ . 1 . 2]"
67 . 1 98 PHE C 1 99 VAL N 1 99 VAL CA 1 99 VAL C -176.50 -40.70 -125.99 -125.47 -131.58 . . 0 "[ . 1 . 2]"
68 . 1 102 LYS C 1 103 GLN N 1 103 GLN CA 1 103 GLN C -84.90 -41.50 -63.96 -74.15 -52.15 . . 0 "[ . 1 . 2]"
69 . 1 103 GLN C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -77.70 -48.90 -63.11 -68.71 -70.59 . . 0 "[ . 1 . 2]"
70 . 1 104 ALA C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -84.90 -42.90 -63.93 -76.88 -51.95 . . 0 "[ . 1 . 2]"
71 . 1 105 LEU C 1 106 GLY N 1 106 GLY CA 1 106 GLY C -79.20 -45.20 -68.69 -70.41 -73.69 0.08 18 0 "[ . 1 . 2]"
72 . 1 106 GLY C 1 107 ARG N 1 107 ARG CA 1 107 ARG C -101.80 -38.80 -64.93 -63.90 -72.40 . . 0 "[ . 1 . 2]"
73 . 1 107 ARG C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -85.00 -48.00 -64.82 -78.71 -51.74 . . 0 "[ . 1 . 2]"
74 . 1 108 ALA C 1 109 CYS N 1 109 CYS CA 1 109 CYS C -138.50 -37.90 -70.17 -56.85 -61.12 . . 0 "[ . 1 . 2]"
75 . 1 110 GLY C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -165.20 -78.20 -125.23 -139.27 -147.09 . . 0 "[ . 1 . 2]"
76 . 1 112 SER C 1 113 ARG N 1 113 ARG CA 1 113 ARG C 166.00 -14.00 -116.92 -116.44 -152.13 . . 0 "[ . 1 . 2]"
77 . 1 114 PRO C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -178.90 -61.50 -115.79 -142.50 -70.52 . . 0 "[ . 1 . 2]"
78 . 1 116 ILE C 1 117 ALA N 1 117 ALA CA 1 117 ALA C 141.90 -29.30 -143.44 -137.63 -141.37 . . 0 "[ . 1 . 2]"
79 . 1 117 ALA C 1 118 CYS N 1 118 CYS CA 1 118 CYS C 172.50 -111.50 -124.96 -146.12 -111.43 0.07 10 0 "[ . 1 . 2]"
80 . 1 118 CYS C 1 119 SER N 1 119 SER CA 1 119 SER C -174.40 -79.40 -124.38 -135.36 -138.88 . . 0 "[ . 1 . 2]"
81 . 1 119 SER C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -144.40 -71.60 -116.96 -115.91 -118.32 . . 0 "[ . 1 . 2]"
82 . 1 120 VAL C 1 121 THR N 1 121 THR CA 1 121 THR C 175.90 -53.30 -95.67 -111.61 -83.47 . . 0 "[ . 1 . 2]"
83 . 1 121 THR C 1 122 ILE N 1 122 ILE CA 1 122 ILE C 173.20 -19.80 -93.33 -80.18 -83.22 . . 0 "[ . 1 . 2]"
84 . 1 122 ILE C 1 123 LYS N 1 123 LYS CA 1 123 LYS C 174.00 -12.00 -110.83 -130.08 -90.65 . . 0 "[ . 1 . 2]"
85 . 1 123 LYS C 1 124 GLU N 1 124 GLU CA 1 124 GLU C -163.00 -1.00 -66.86 -73.43 -78.01 . . 0 "[ . 1 . 2]"
86 . 1 126 SER C 1 127 GLN N 1 127 GLN CA 1 127 GLN C -88.00 -47.20 -63.19 -69.77 -55.07 . . 0 "[ . 1 . 2]"
87 . 1 128 LEU C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -83.50 -38.70 -53.11 -52.43 -52.89 . . 0 "[ . 1 . 2]"
88 . 1 129 LYS C 1 130 GLN N 1 130 GLN CA 1 130 GLN C -81.20 -41.00 -72.81 -81.29 -58.11 0.09 10 0 "[ . 1 . 2]"
89 . 1 130 GLN C 1 131 GLN N 1 131 GLN CA 1 131 GLN C -95.60 -41.20 -66.68 -75.28 -82.24 . . 0 "[ . 1 . 2]"
90 . 1 131 GLN C 1 132 ILE N 1 132 ILE CA 1 132 ILE C -76.10 -46.70 -58.34 -57.37 -57.46 . . 0 "[ . 1 . 2]"
91 . 1 132 ILE C 1 133 GLN N 1 133 GLN CA 1 133 GLN C -79.40 -47.20 -68.91 -77.67 -59.61 . . 0 "[ . 1 . 2]"
92 . 1 133 GLN C 1 134 SER N 1 134 SER CA 1 134 SER C -76.90 -49.10 -62.12 -64.19 -66.17 . . 0 "[ . 1 . 2]"
93 . 1 134 SER C 1 135 ILE N 1 135 ILE CA 1 135 ILE C -82.00 -50.20 -68.81 -66.20 -67.02 . . 0 "[ . 1 . 2]"
94 . 1 135 ILE C 1 136 GLN N 1 136 GLN CA 1 136 GLN C -81.40 -45.80 -58.63 -53.15 -54.67 . . 0 "[ . 1 . 2]"
95 . 1 136 GLN C 1 137 GLN N 1 137 GLN CA 1 137 GLN C -77.20 -51.00 -59.11 -71.51 -52.00 . . 0 "[ . 1 . 2]"
96 . 1 137 GLN C 1 138 SER N 1 138 SER CA 1 138 SER C -86.80 -47.20 -62.50 -77.58 -53.48 . . 0 "[ . 1 . 2]"
97 . 1 138 SER C 1 139 ILE N 1 139 ILE CA 1 139 ILE C -73.60 -53.80 -67.91 -73.64 -54.11 0.04 12 0 "[ . 1 . 2]"
98 . 1 139 ILE C 1 140 GLU N 1 140 GLU CA 1 140 GLU C -78.30 -41.70 -60.72 -74.27 -52.10 . . 0 "[ . 1 . 2]"
99 . 1 140 GLU C 1 141 ARG N 1 141 ARG CA 1 141 ARG C -84.10 -50.10 -60.73 -73.74 -51.99 . . 0 "[ . 1 . 2]"
100 . 1 141 ARG C 1 142 LEU N 1 142 LEU CA 1 142 LEU C -115.00 -31.00 -76.16 -83.02 -85.86 . . 0 "[ . 1 . 2]"
101 . 1 23 ASN N 1 23 ASN CA 1 23 ASN C 1 24 PRO N 100.70 166.50 157.57 98.50 160.67 2.20 19 0 "[ . 1 . 2]"
102 . 1 27 TYR N 1 27 TYR CA 1 27 TYR C 1 28 PRO N 81.10 -172.50 151.74 159.97 159.95 . . 0 "[ . 1 . 2]"
103 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 ALA N 107.30 153.10 129.89 107.26 152.03 0.04 15 0 "[ . 1 . 2]"
104 . 1 30 ALA N 1 30 ALA CA 1 30 ALA C 1 31 ASP N 119.00 151.00 126.06 118.95 138.53 0.05 15 0 "[ . 1 . 2]"
105 . 1 31 ASP N 1 31 ASP CA 1 31 ASP C 1 32 ALA N 71.70 -159.70 167.30 152.31 -177.88 . . 0 "[ . 1 . 2]"
106 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 HIS N -44.30 -23.70 -32.22 -30.14 -31.59 . . 0 "[ . 1 . 2]"
107 . 1 33 HIS N 1 33 HIS CA 1 33 HIS C 1 34 LEU N -63.30 -15.90 -39.67 -54.80 -54.87 . . 0 "[ . 1 . 2]"
108 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 THR N -49.00 -27.00 -40.61 -48.99 -27.06 . . 0 "[ . 1 . 2]"
109 . 1 35 THR N 1 35 THR CA 1 35 THR C 1 36 LYS N -56.00 -23.80 -32.01 -41.39 -25.33 . . 0 "[ . 1 . 2]"
110 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 LYS N -54.60 -37.00 -48.71 -50.85 -52.21 . . 0 "[ . 1 . 2]"
111 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 LEU N -47.80 -32.20 -36.02 -36.35 -37.60 . . 0 "[ . 1 . 2]"
112 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 LEU N -52.00 -39.20 -43.19 -51.93 -39.10 0.10 15 0 "[ . 1 . 2]"
113 . 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 ASP N -58.90 -15.10 -35.66 -33.44 -35.16 . . 0 "[ . 1 . 2]"
114 . 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 LEU N -53.50 -27.30 -31.52 -29.29 -30.11 . . 0 "[ . 1 . 2]"
115 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 VAL N -57.60 -25.20 -39.77 -57.55 -25.52 . . 0 "[ . 1 . 2]"
116 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 GLN N -53.10 -33.70 -49.15 -52.95 -53.00 0.10 3 0 "[ . 1 . 2]"
117 . 1 43 GLN N 1 43 GLN CA 1 43 GLN C 1 44 GLN N -46.70 -30.50 -32.93 -32.08 -32.87 0.11 11 0 "[ . 1 . 2]"
118 . 1 44 GLN N 1 44 GLN CA 1 44 GLN C 1 45 SER N -47.20 -31.60 -31.66 -31.58 -31.60 1.27 9 0 "[ . 1 . 2]"
119 . 1 45 SER N 1 45 SER CA 1 45 SER C 1 46 CYS N -51.70 -24.70 -51.79 -53.44 -48.20 1.74 11 0 "[ . 1 . 2]"
120 . 1 46 CYS N 1 46 CYS CA 1 46 CYS C 1 47 ASN N -59.40 -27.20 -27.32 -28.63 -32.59 1.17 15 0 "[ . 1 . 2]"
121 . 1 47 ASN N 1 47 ASN CA 1 47 ASN C 1 48 TYR N -45.30 -18.10 -25.54 -34.82 -17.82 0.28 17 0 "[ . 1 . 2]"
122 . 1 48 TYR N 1 48 TYR CA 1 48 TYR C 1 49 LYS N -8.50 28.30 23.09 11.85 26.92 . . 0 "[ . 1 . 2]"
123 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 GLN N 0.80 67.20 31.02 31.52 26.97 . . 0 "[ . 1 . 2]"
124 . 1 50 GLN N 1 50 GLN CA 1 50 GLN C 1 51 LEU N 134.50 -179.50 134.31 133.33 134.55 1.17 17 0 "[ . 1 . 2]"
125 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 ARG N 111.50 172.10 163.61 158.71 156.59 0.08 11 0 "[ . 1 . 2]"
126 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 LYS N 109.80 153.60 117.47 109.76 142.20 0.04 20 0 "[ . 1 . 2]"
127 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 GLY N 82.10 177.10 85.05 84.33 83.16 0.42 12 0 "[ . 1 . 2]"
128 . 1 54 GLY N 1 54 GLY CA 1 54 GLY C 1 55 ALA N 100.00 -172.00 135.13 116.08 148.38 . . 0 "[ . 1 . 2]"
129 . 1 55 ALA N 1 55 ALA CA 1 55 ALA C 1 56 ASN N -67.80 -9.00 -47.72 -67.04 -28.87 . . 0 "[ . 1 . 2]"
130 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 ALA N -52.20 -27.80 -28.30 -28.82 -29.42 0.10 13 0 "[ . 1 . 2]"
131 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 THR N -55.40 -21.60 -31.02 -54.09 -24.57 . . 0 "[ . 1 . 2]"
132 . 1 59 THR N 1 59 THR CA 1 59 THR C 1 60 LYS N -54.20 -22.80 -28.80 -47.93 -24.69 . . 0 "[ . 1 . 2]"
133 . 1 60 LYS N 1 60 LYS CA 1 60 LYS C 1 61 THR N -56.00 -23.60 -47.50 -54.69 -36.74 . . 0 "[ . 1 . 2]"
134 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 LEU N -59.10 -19.50 -51.80 -59.28 -34.35 0.18 16 0 "[ . 1 . 2]"
135 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 ASN N -52.40 -30.40 -33.53 -35.64 -37.37 0.20 7 0 "[ . 1 . 2]"
136 . 1 63 ASN N 1 63 ASN CA 1 63 ASN C 1 64 ARG N -56.50 -10.10 -32.50 -52.49 -22.70 . . 0 "[ . 1 . 2]"
137 . 1 64 ARG N 1 64 ARG CA 1 64 ARG C 1 65 GLY N -24.40 29.00 -24.60 -24.71 -24.71 0.56 18 0 "[ . 1 . 2]"
138 . 1 65 GLY N 1 65 GLY CA 1 65 GLY C 1 66 ILE N 4.00 44.00 41.43 43.17 42.73 0.28 11 0 "[ . 1 . 2]"
139 . 1 66 ILE N 1 66 ILE CA 1 66 ILE C 1 67 SER N -27.00 33.00 11.74 -25.22 20.92 . . 0 "[ . 1 . 2]"
140 . 1 67 SER N 1 67 SER CA 1 67 SER C 1 68 GLU N 58.50 -174.30 106.73 90.04 156.58 . . 0 "[ . 1 . 2]"
141 . 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 PHE N -47.00 -7.00 -38.90 -47.25 -24.45 0.25 5 0 "[ . 1 . 2]"
142 . 1 70 ILE N 1 70 ILE CA 1 70 ILE C 1 71 VAL N 127.80 159.00 137.79 127.77 127.70 0.10 1 0 "[ . 1 . 2]"
143 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 MET N 126.00 152.80 139.01 140.31 135.49 0.01 15 0 "[ . 1 . 2]"
144 . 1 72 MET N 1 72 MET CA 1 72 MET C 1 73 ALA N 123.30 179.10 153.88 159.28 155.44 0.08 12 0 "[ . 1 . 2]"
145 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 ALA N 114.90 172.70 129.03 141.97 137.57 0.01 3 0 "[ . 1 . 2]"
146 . 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 ASP N -43.00 -3.00 -27.28 -41.77 -23.75 . . 0 "[ . 1 . 2]"
147 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 ALA N -13.00 35.00 31.18 -13.13 35.13 0.13 13 0 "[ . 1 . 2]"
148 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 GLU N 108.00 152.00 135.86 133.24 131.97 0.13 10 0 "[ . 1 . 2]"
149 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 PRO N 110.50 -177.70 160.73 159.29 161.28 . . 0 "[ . 1 . 2]"
150 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 GLU N -69.00 -5.00 -26.94 -29.22 -31.07 . . 0 "[ . 1 . 2]"
151 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 ILE N -50.10 -9.90 -44.53 -50.13 -29.53 0.03 20 0 "[ . 1 . 2]"
152 . 1 81 ILE N 1 81 ILE CA 1 81 ILE C 1 82 ILE N -52.80 -15.20 -33.38 -45.82 -27.08 . . 0 "[ . 1 . 2]"
153 . 1 82 ILE N 1 82 ILE CA 1 82 ILE C 1 83 LEU N -66.20 31.40 -25.93 -24.13 -24.56 . . 0 "[ . 1 . 2]"
154 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 HIS N -55.00 -11.00 -16.62 -10.85 -10.89 0.53 8 0 "[ . 1 . 2]"
155 . 1 84 HIS N 1 84 HIS CA 1 84 HIS C 1 85 LEU N -56.60 -23.60 -30.90 -28.62 -31.49 0.45 2 0 "[ . 1 . 2]"
156 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 PRO N -58.20 -31.20 -59.67 -59.98 -59.14 1.78 8 0 "[ . 1 . 2]"
157 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 LEU N -55.80 -22.60 -53.50 -56.96 -57.19 1.94 20 0 "[ . 1 . 2]"
158 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 CYS N -72.70 9.30 -67.95 -74.04 -74.24 2.27 20 0 "[ . 1 . 2]"
159 . 1 89 CYS N 1 89 CYS CA 1 89 CYS C 1 90 GLU N 137.90 -159.50 -177.65 -163.51 -167.36 . . 0 "[ . 1 . 2]"
160 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 ASP N -51.20 -8.80 -31.96 -32.42 -33.15 . . 0 "[ . 1 . 2]"
161 . 1 91 ASP N 1 91 ASP CA 1 91 ASP C 1 92 LYS N -50.00 -15.00 -27.00 -38.15 -13.84 1.16 16 0 "[ . 1 . 2]"
162 . 1 92 LYS N 1 92 LYS CA 1 92 LYS C 1 93 ASN N -34.80 33.20 5.13 -41.17 27.84 6.37 16 2 "[ . 1 .+ -]"
163 . 1 94 VAL N 1 94 VAL CA 1 94 VAL C 1 95 PRO N 92.40 176.00 95.98 90.21 90.11 3.15 16 0 "[ . 1 . 2]"
164 . 1 96 TYR N 1 96 TYR CA 1 96 TYR C 1 97 VAL N 136.10 -178.10 161.67 166.36 154.76 0.12 16 0 "[ . 1 . 2]"
165 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 PHE N 135.20 179.00 138.66 135.04 151.36 0.16 8 0 "[ . 1 . 2]"
166 . 1 98 PHE N 1 98 PHE CA 1 98 PHE C 1 99 VAL N 114.90 164.70 141.59 114.84 164.88 0.18 15 0 "[ . 1 . 2]"
167 . 1 99 VAL N 1 99 VAL CA 1 99 VAL C 1 100 ARG N 134.70 -174.10 154.78 134.72 -175.74 . . 0 "[ . 1 . 2]"
168 . 1 103 GLN N 1 103 GLN CA 1 103 GLN C 1 104 ALA N -55.60 -32.00 -42.77 -55.49 -31.97 0.03 14 0 "[ . 1 . 2]"
169 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 LEU N -47.40 -32.20 -37.62 -37.24 -38.59 . . 0 "[ . 1 . 2]"
170 . 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 GLY N -58.40 -18.60 -41.46 -58.46 -26.64 0.06 19 0 "[ . 1 . 2]"
171 . 1 106 GLY N 1 106 GLY CA 1 106 GLY C 1 107 ARG N -53.20 -26.80 -39.30 -53.23 -26.56 0.24 20 0 "[ . 1 . 2]"
172 . 1 107 ARG N 1 107 ARG CA 1 107 ARG C 1 108 ALA N -56.20 -15.40 -41.18 -27.50 -28.29 0.01 20 0 "[ . 1 . 2]"
173 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 CYS N -53.70 8.10 -36.83 -53.54 -24.99 . . 0 "[ . 1 . 2]"
174 . 1 109 CYS N 1 109 CYS CA 1 109 CYS C 1 110 GLY N -35.90 33.90 -29.37 -26.27 -26.73 . . 0 "[ . 1 . 2]"
175 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 SER N 136.20 173.00 155.47 141.73 173.02 0.02 7 0 "[ . 1 . 2]"
176 . 1 113 ARG N 1 113 ARG CA 1 113 ARG C 1 114 PRO N 118.00 178.00 159.23 160.65 160.63 . . 0 "[ . 1 . 2]"
177 . 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 ILE N 127.80 -173.20 144.10 129.93 149.78 . . 0 "[ . 1 . 2]"
178 . 1 117 ALA N 1 117 ALA CA 1 117 ALA C 1 118 CYS N 117.00 -170.20 123.79 117.15 117.10 0.11 3 0 "[ . 1 . 2]"
179 . 1 118 CYS N 1 118 CYS CA 1 118 CYS C 1 119 SER N 146.90 172.10 155.72 146.84 172.04 0.06 10 0 "[ . 1 . 2]"
180 . 1 119 SER N 1 119 SER CA 1 119 SER C 1 120 VAL N 106.40 164.60 145.10 158.67 158.28 0.09 13 0 "[ . 1 . 2]"
181 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 THR N 109.30 137.70 117.34 128.44 123.70 0.12 13 0 "[ . 1 . 2]"
182 . 1 121 THR N 1 121 THR CA 1 121 THR C 1 122 ILE N 120.60 -163.60 142.45 120.69 177.54 . . 0 "[ . 1 . 2]"
183 . 1 122 ILE N 1 122 ILE CA 1 122 ILE C 1 123 LYS N 112.60 153.00 143.39 131.32 150.93 . . 0 "[ . 1 . 2]"
184 . 1 123 LYS N 1 123 LYS CA 1 123 LYS C 1 124 GLU N 87.00 163.00 114.90 88.67 142.14 . . 0 "[ . 1 . 2]"
185 . 1 124 GLU N 1 124 GLU CA 1 124 GLU C 1 125 GLY N 87.00 167.00 128.45 143.56 141.91 . . 0 "[ . 1 . 2]"
186 . 1 127 GLN N 1 127 GLN CA 1 127 GLN C 1 128 LEU N -40.10 -10.10 -27.18 -27.97 -30.50 . . 0 "[ . 1 . 2]"
187 . 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 GLN N -62.90 -15.10 -36.21 -33.58 -36.20 0.02 3 0 "[ . 1 . 2]"
188 . 1 130 GLN N 1 130 GLN CA 1 130 GLN C 1 131 GLN N -59.70 -25.30 -37.64 -53.41 -25.72 . . 0 "[ . 1 . 2]"
189 . 1 131 GLN N 1 131 GLN CA 1 131 GLN C 1 132 ILE N -57.40 -22.20 -53.29 -57.54 -44.06 0.14 10 0 "[ . 1 . 2]"
190 . 1 132 ILE N 1 132 ILE CA 1 132 ILE C 1 133 GLN N -53.80 -32.60 -34.82 -34.36 -35.56 0.04 8 0 "[ . 1 . 2]"
191 . 1 133 GLN N 1 133 GLN CA 1 133 GLN C 1 134 SER N -50.90 -15.70 -35.52 -48.17 -25.37 . . 0 "[ . 1 . 2]"
192 . 1 134 SER N 1 134 SER CA 1 134 SER C 1 135 ILE N -51.60 -36.20 -49.71 -51.07 -51.43 0.07 7 0 "[ . 1 . 2]"
193 . 1 135 ILE N 1 135 ILE CA 1 135 ILE C 1 136 GLN N -52.80 -28.60 -30.95 -42.17 -28.50 0.10 1 0 "[ . 1 . 2]"
194 . 1 136 GLN N 1 136 GLN CA 1 136 GLN C 1 137 GLN N -54.10 -30.50 -40.88 -47.01 -31.01 . . 0 "[ . 1 . 2]"
195 . 1 137 GLN N 1 137 GLN CA 1 137 GLN C 1 138 SER N -47.60 -19.40 -34.64 -46.21 -27.74 . . 0 "[ . 1 . 2]"
196 . 1 138 SER N 1 138 SER CA 1 138 SER C 1 139 ILE N -55.00 -23.80 -39.46 -42.47 -44.31 . . 0 "[ . 1 . 2]"
197 . 1 139 ILE N 1 139 ILE CA 1 139 ILE C 1 140 GLU N -52.10 -36.10 -40.43 -44.83 -46.55 . . 0 "[ . 1 . 2]"
198 . 1 140 GLU N 1 140 GLU CA 1 140 GLU C 1 141 ARG N -49.20 -33.60 -42.76 -49.27 -33.75 0.07 3 0 "[ . 1 . 2]"
199 . 1 141 ARG N 1 141 ARG CA 1 141 ARG C 1 142 LEU N -49.30 -6.10 -39.00 -49.24 -26.95 . . 0 "[ . 1 . 2]"
200 . 1 142 LEU N 1 142 LEU CA 1 142 LEU C 1 143 LEU N -65.00 7.00 -36.36 -58.17 -26.11 . . 0 "[ . 1 . 2]"
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