NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
537073 |
4a5v   |
18039 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_4a5v
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 190
_TA_constraint_stats_list.Viol_count 249
_TA_constraint_stats_list.Viol_total 4861.57
_TA_constraint_stats_list.Viol_max 8.04
_TA_constraint_stats_list.Viol_rms 0.87
_TA_constraint_stats_list.Viol_average_all_restraints 0.26
_TA_constraint_stats_list.Viol_average_violations_only 1.95
_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 4 PRO C 1 5 ALA N 1 5 ALA CA 1 5 ALA C -144.00 -42.00 -72.58 -75.69 -99.70 . . 0 "[ . 1]"
2 . 1 7 LEU C 1 8 ASP N 1 8 ASP CA 1 8 ASP C -118.00 -48.00 -53.23 -54.65 -56.79 . . 0 "[ . 1]"
3 . 1 9 LEU C 1 10 SER N 1 10 SER CA 1 10 SER C -112.00 -50.00 -68.61 -68.75 -69.80 . . 0 "[ . 1]"
4 . 1 10 SER C 1 11 CYS N 1 11 CYS CA 1 11 CYS C -174.00 -102.00 -112.01 -111.64 -112.96 . . 0 "[ . 1]"
5 . 1 11 CYS C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -157.00 -45.00 -159.29 -158.90 -159.39 3.66 4 0 "[ . 1]"
6 . 1 16 ASN C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -155.00 -89.00 -142.39 -144.70 -138.04 . . 0 "[ . 1]"
7 . 1 18 GLY C 1 19 SER N 1 19 SER CA 1 19 SER C -158.00 -90.00 -140.93 -141.35 -141.95 . . 0 "[ . 1]"
8 . 1 19 SER C 1 20 ARG N 1 20 ARG CA 1 20 ARG C -137.00 -35.00 -83.50 -105.08 -71.57 . . 0 "[ . 1]"
9 . 1 21 ALA C 1 22 PRO N 1 22 PRO CA 1 22 PRO C -168.00 -32.00 -68.92 -71.10 -74.67 . . 0 "[ . 1]"
10 . 1 22 PRO C 1 23 THR N 1 23 THR CA 1 23 THR C -171.00 -51.00 -69.96 -69.14 -69.96 . . 0 "[ . 1]"
11 . 1 23 THR C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -129.00 -61.00 -66.99 -70.09 -65.02 . . 0 "[ . 1]"
12 . 1 25 GLY C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -128.00 -50.00 -123.21 -114.99 -120.95 0.91 1 0 "[ . 1]"
13 . 1 26 GLU C 1 27 PRO N 1 27 PRO CA 1 27 PRO C -118.00 -30.00 -75.81 -78.62 -73.24 . . 0 "[ . 1]"
14 . 1 27 PRO C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -160.00 -68.00 -110.17 -112.30 -113.07 . . 0 "[ . 1]"
15 . 1 30 ASP C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -158.00 -106.00 -130.97 -136.52 -114.73 . . 0 "[ . 1]"
16 . 1 31 VAL C 1 32 SER N 1 32 SER CA 1 32 SER C -156.00 -48.00 -85.25 -88.41 -97.75 . . 0 "[ . 1]"
17 . 1 32 SER C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -80.00 -40.00 -64.00 -63.53 -64.40 . . 0 "[ . 1]"
18 . 1 33 LEU C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -79.00 -39.00 -68.03 -70.27 -65.97 . . 0 "[ . 1]"
19 . 1 36 CYS C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -83.00 -43.00 -62.95 -62.96 -63.60 . . 0 "[ . 1]"
20 . 1 37 ALA C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -86.00 -46.00 -70.12 -69.51 -69.89 . . 0 "[ . 1]"
21 . 1 38 ALA C 1 39 GLN N 1 39 GLN CA 1 39 GLN C -85.00 -45.00 -64.63 -64.14 -64.41 . . 0 "[ . 1]"
22 . 1 40 CYS C 1 41 LYS N 1 41 LYS CA 1 41 LYS C -95.00 -43.00 -85.87 -83.01 -83.83 . . 0 "[ . 1]"
23 . 1 41 LYS C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -117.00 -67.00 -83.10 -90.51 -75.34 . . 0 "[ . 1]"
24 . 1 42 ALA C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -122.00 -48.00 -98.47 -97.33 -98.45 . . 0 "[ . 1]"
25 . 1 43 VAL C 1 44 ASP N 1 44 ASP CA 1 44 ASP C -81.00 -41.00 -79.37 -81.84 -74.68 0.84 5 0 "[ . 1]"
26 . 1 45 GLY C 1 46 CYS N 1 46 CYS CA 1 46 CYS C -155.00 -115.00 -111.57 -111.41 -111.80 4.03 10 0 "[ . 1]"
27 . 1 49 PHE C 1 50 THR N 1 50 THR CA 1 50 THR C -173.00 -77.00 -135.11 -133.27 -135.77 . . 0 "[ . 1]"
28 . 1 50 THR C 1 51 TYR N 1 51 TYR CA 1 51 TYR C -140.00 -86.00 -85.00 -85.60 -84.36 1.64 3 0 "[ . 1]"
29 . 1 51 TYR C 1 52 ASN N 1 52 ASN CA 1 52 ASN C -148.00 -70.00 -92.49 -103.95 -74.93 . . 0 "[ . 1]"
30 . 1 53 ASP C 1 54 ASP N 1 54 ASP CA 1 54 ASP C -89.00 -49.00 -80.57 -82.41 -84.56 . . 0 "[ . 1]"
31 . 1 54 ASP C 1 55 SER N 1 55 SER CA 1 55 SER C -122.00 -74.00 -100.05 -109.71 -90.16 . . 0 "[ . 1]"
32 . 1 55 SER C 1 56 LYS N 1 56 LYS CA 1 56 LYS C 37.00 77.00 45.50 45.42 45.10 . . 0 "[ . 1]"
33 . 1 56 LYS C 1 57 MET N 1 57 MET CA 1 57 MET C -151.00 -99.00 -101.07 -98.95 -99.74 1.45 6 0 "[ . 1]"
34 . 1 57 MET C 1 58 CYS N 1 58 CYS CA 1 58 CYS C -158.00 -92.00 -108.37 -118.14 -100.53 . . 0 "[ . 1]"
35 . 1 58 CYS C 1 59 HIS N 1 59 HIS CA 1 59 HIS C -141.00 -67.00 -101.80 -105.40 -99.82 . . 0 "[ . 1]"
36 . 1 59 HIS C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -148.00 -60.00 -71.98 -73.23 -71.35 . . 0 "[ . 1]"
37 . 1 60 VAL C 1 61 LYS N 1 61 LYS CA 1 61 LYS C -178.00 -78.00 -131.84 -132.72 -133.67 . . 0 "[ . 1]"
38 . 1 61 LYS C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -158.00 -100.00 -95.96 -96.58 -95.30 4.70 5 0 "[ . 1]"
39 . 1 62 GLU C 1 63 GLY N 1 63 GLY CA 1 63 GLY C -132.00 -42.00 -38.57 -38.27 -38.51 4.16 9 0 "[ . 1]"
40 . 1 67 LEU C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -163.00 -89.00 -148.06 -149.35 -156.09 . . 0 "[ . 1]"
41 . 1 68 TYR C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -125.00 -53.00 -69.20 -68.61 -69.18 . . 0 "[ . 1]"
42 . 1 69 ASP C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -168.00 -52.00 -128.11 -124.57 -127.79 . . 0 "[ . 1]"
43 . 1 70 LEU C 1 71 THR N 1 71 THR CA 1 71 THR C -96.00 -54.00 -58.78 -59.70 -59.84 . . 0 "[ . 1]"
44 . 1 73 GLY C 1 74 LYS N 1 74 LYS CA 1 74 LYS C -142.00 -82.00 -130.86 -135.28 -118.18 . . 0 "[ . 1]"
45 . 1 74 LYS C 1 75 THR N 1 75 THR CA 1 75 THR C -137.00 -97.00 -110.54 -113.09 -107.19 . . 0 "[ . 1]"
46 . 1 75 THR C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -167.00 -97.00 -166.55 -168.67 -163.15 1.67 9 0 "[ . 1]"
47 . 1 76 ALA C 1 77 SER N 1 77 SER CA 1 77 SER C -178.00 -42.00 -79.08 -73.16 -73.87 . . 0 "[ . 1]"
48 . 1 80 CYS C 1 81 ASP N 1 81 ASP CA 1 81 ASP C -161.00 -27.00 -63.57 -61.71 -67.11 . . 0 "[ . 1]"
49 . 1 82 ARG C 1 83 SER N 1 83 SER CA 1 83 SER C -98.00 -54.00 -67.36 -65.09 -65.78 . . 0 "[ . 1]"
50 . 1 84 CYS C 1 85 PHE N 1 85 PHE CA 1 85 PHE C -151.00 -61.00 -87.94 -91.74 -84.73 . . 0 "[ . 1]"
51 . 1 85 PHE C 1 86 GLU N 1 86 GLU CA 1 86 GLU C -170.00 -54.00 -116.30 -116.00 -117.26 . . 0 "[ . 1]"
52 . 1 88 HIS C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -159.00 -87.00 -158.14 -159.64 -160.08 1.08 1 0 "[ . 1]"
53 . 1 89 VAL C 1 90 SER N 1 90 SER CA 1 90 SER C -151.00 -111.00 -124.45 -129.74 -119.40 . . 0 "[ . 1]"
54 . 1 90 SER C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -109.00 -51.00 -109.86 -109.79 -110.28 1.77 10 0 "[ . 1]"
55 . 1 93 GLY C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -115.00 -49.00 -66.92 -72.27 -62.31 . . 0 "[ . 1]"
56 . 1 96 ASP C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -136.00 -80.00 -110.61 -123.31 -95.92 . . 0 "[ . 1]"
57 . 1 97 VAL C 1 98 MET N 1 98 MET CA 1 98 MET C 173.00 -55.00 -144.79 -147.89 -141.83 . . 0 "[ . 1]"
58 . 1 98 MET C 1 99 THR N 1 99 THR CA 1 99 THR C -120.00 -42.00 -75.45 -72.98 -76.06 . . 0 "[ . 1]"
59 . 1 100 ALA C 1 101 MET N 1 101 MET CA 1 101 MET C -173.00 -95.00 -126.58 -128.05 -128.06 . . 0 "[ . 1]"
60 . 1 101 MET C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -132.00 -68.00 -114.66 -120.66 -109.81 . . 0 "[ . 1]"
61 . 1 102 VAL C 1 103 THR N 1 103 THR CA 1 103 THR C -150.00 -66.00 -148.28 -150.57 -138.78 0.57 2 0 "[ . 1]"
62 . 1 104 SER C 1 105 GLN N 1 105 GLN CA 1 105 GLN C -154.00 -54.00 -151.24 -149.38 -154.28 1.33 3 0 "[ . 1]"
63 . 1 105 GLN C 1 106 SER N 1 106 SER CA 1 106 SER C -78.00 -38.00 -70.26 -73.66 -65.90 . . 0 "[ . 1]"
64 . 1 106 SER C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -80.00 -40.00 -58.05 -59.83 -61.63 . . 0 "[ . 1]"
65 . 1 107 ALA C 1 108 ASP N 1 108 ASP CA 1 108 ASP C -106.00 -54.00 -59.39 -59.14 -59.45 . . 0 "[ . 1]"
66 . 1 109 CYS C 1 110 GLN N 1 110 GLN CA 1 110 GLN C -80.00 -40.00 -64.74 -64.36 -64.95 . . 0 "[ . 1]"
67 . 1 110 GLN C 1 111 ALA N 1 111 ALA CA 1 111 ALA C -86.00 -46.00 -63.50 -59.86 -62.34 . . 0 "[ . 1]"
68 . 1 113 CYS C 1 114 ALA N 1 114 ALA CA 1 114 ALA C -80.00 -40.00 -68.33 -70.67 -63.82 . . 0 "[ . 1]"
69 . 1 115 ALA C 1 116 ASP N 1 116 ASP CA 1 116 ASP C -163.00 -73.00 -89.56 -89.24 -91.66 . . 0 "[ . 1]"
70 . 1 118 SER C 1 119 CYS N 1 119 CYS CA 1 119 CYS C -179.00 -105.00 -104.06 -103.40 -103.62 1.80 9 0 "[ . 1]"
71 . 1 119 CYS C 1 120 GLU N 1 120 GLU CA 1 120 GLU C -167.00 -69.00 -108.58 -108.09 -108.92 . . 0 "[ . 1]"
72 . 1 121 ILE C 1 122 PHE N 1 122 PHE CA 1 122 PHE C -168.00 -116.00 -153.93 -156.13 -151.52 . . 0 "[ . 1]"
73 . 1 122 PHE C 1 123 THR N 1 123 THR CA 1 123 THR C -156.00 -100.00 -143.76 -134.74 -142.22 . . 0 "[ . 1]"
74 . 1 123 THR C 1 124 TYR N 1 124 TYR CA 1 124 TYR C -145.00 -87.00 -105.13 -107.54 -110.20 . . 0 "[ . 1]"
75 . 1 124 TYR C 1 125 ASN N 1 125 ASN CA 1 125 ASN C -144.00 -66.00 -72.36 -76.16 -69.76 . . 0 "[ . 1]"
76 . 1 126 GLU C 1 127 HIS N 1 127 HIS CA 1 127 HIS C -91.00 -51.00 -89.52 -86.83 -90.28 2.71 6 0 "[ . 1]"
77 . 1 127 HIS C 1 128 ASP N 1 128 ASP CA 1 128 ASP C -117.00 -77.00 -83.65 -95.98 -76.15 0.85 6 0 "[ . 1]"
78 . 1 129 GLN C 1 130 LYS N 1 130 LYS CA 1 130 LYS C -142.00 -102.00 -136.06 -138.29 -131.40 . . 0 "[ . 1]"
79 . 1 130 LYS C 1 131 CYS N 1 131 CYS CA 1 131 CYS C -156.00 -94.00 -107.21 -106.98 -110.47 0.49 8 0 "[ . 1]"
80 . 1 131 CYS C 1 132 THR N 1 132 THR CA 1 132 THR C -172.00 -90.00 -133.45 -137.36 -140.77 . . 0 "[ . 1]"
81 . 1 132 THR C 1 133 PHE N 1 133 PHE CA 1 133 PHE C -159.00 -115.00 -121.05 -125.88 -131.51 0.67 2 0 "[ . 1]"
82 . 1 133 PHE C 1 134 LYS N 1 134 LYS CA 1 134 LYS C -147.00 -93.00 -132.86 -133.70 -134.16 . . 0 "[ . 1]"
83 . 1 137 GLY C 1 138 PHE N 1 138 PHE CA 1 138 PHE C -116.00 -32.00 -63.89 -67.03 -69.38 . . 0 "[ . 1]"
84 . 1 138 PHE C 1 139 SER N 1 139 SER CA 1 139 SER C -81.00 -41.00 -64.98 -69.90 -60.18 . . 0 "[ . 1]"
85 . 1 139 SER C 1 140 ALA N 1 140 ALA CA 1 140 ALA C -93.00 -45.00 -78.44 -76.27 -77.21 . . 0 "[ . 1]"
86 . 1 140 ALA C 1 141 PHE N 1 141 PHE CA 1 141 PHE C -143.00 -63.00 -108.70 -116.51 -94.13 . . 0 "[ . 1]"
87 . 1 141 PHE C 1 142 LYS N 1 142 LYS CA 1 142 LYS C -104.00 -48.00 -87.74 -82.62 -86.62 . . 0 "[ . 1]"
88 . 1 142 LYS C 1 143 GLU N 1 143 GLU CA 1 143 GLU C -150.00 -78.00 -116.88 -124.31 -105.41 . . 0 "[ . 1]"
89 . 1 143 GLU C 1 144 ARG N 1 144 ARG CA 1 144 ARG C -142.00 -60.00 -94.44 -90.91 -95.16 . . 0 "[ . 1]"
90 . 1 145 GLY C 1 146 VAL N 1 146 VAL CA 1 146 VAL C -163.00 -47.00 -97.19 -101.13 -92.04 . . 0 "[ . 1]"
91 . 1 148 GLY C 1 149 VAL N 1 149 VAL CA 1 149 VAL C -147.00 -107.00 -142.12 -141.37 -142.94 . . 0 "[ . 1]"
92 . 1 149 VAL C 1 150 THR N 1 150 THR CA 1 150 THR C -150.00 -94.00 -137.91 -145.32 -131.10 . . 0 "[ . 1]"
93 . 1 150 THR C 1 151 SER N 1 151 SER CA 1 151 SER C -167.00 -109.00 -106.28 -108.40 -105.22 3.78 6 0 "[ . 1]"
94 . 1 151 SER C 1 152 GLY N 1 152 GLY CA 1 152 GLY C -152.00 -68.00 -137.25 -121.21 -137.21 1.74 9 0 "[ . 1]"
95 . 1 155 GLN C 1 156 PHE N 1 156 PHE CA 1 156 PHE C -85.00 -45.00 -54.37 -52.73 -53.61 . . 0 "[ . 1]"
96 . 1 5 ALA N 1 5 ALA CA 1 5 ALA C 1 6 LYS N 97.00 157.00 157.26 157.09 138.33 3.40 8 0 "[ . 1]"
97 . 1 8 ASP N 1 8 ASP CA 1 8 ASP C 1 9 LEU N 77.00 155.00 119.95 115.56 124.45 . . 0 "[ . 1]"
98 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 CYS N -59.00 -9.00 -50.35 -55.53 -45.97 . . 0 "[ . 1]"
99 . 1 11 CYS N 1 11 CYS CA 1 11 CYS C 1 12 VAL N 115.00 179.00 113.93 112.28 115.39 2.72 10 0 "[ . 1]"
100 . 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 HIS N 106.00 158.00 128.31 126.20 123.92 . . 0 "[ . 1]"
101 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 GLY N 108.00 -166.00 142.82 133.91 148.07 . . 0 "[ . 1]"
102 . 1 19 SER N 1 19 SER CA 1 19 SER C 1 20 ARG N 107.00 173.00 136.67 134.30 132.35 . . 0 "[ . 1]"
103 . 1 20 ARG N 1 20 ARG CA 1 20 ARG C 1 21 ALA N 125.00 165.00 123.05 122.69 122.32 3.13 6 0 "[ . 1]"
104 . 1 22 PRO N 1 22 PRO CA 1 22 PRO C 1 23 THR N 87.00 153.00 124.51 119.92 130.12 . . 0 "[ . 1]"
105 . 1 23 THR N 1 23 THR CA 1 23 THR C 1 24 ILE N 106.00 148.00 105.19 106.80 105.41 1.94 1 0 "[ . 1]"
106 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 GLY N 104.00 144.00 120.90 119.16 123.83 . . 0 "[ . 1]"
107 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 PRO N 106.00 -174.00 150.04 149.62 148.56 . . 0 "[ . 1]"
108 . 1 27 PRO N 1 27 PRO CA 1 27 PRO C 1 28 VAL N 97.00 173.00 157.57 151.66 163.43 . . 0 "[ . 1]"
109 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 PRO N 87.00 141.00 107.09 105.09 110.38 . . 0 "[ . 1]"
110 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 SER N 142.00 -176.00 159.72 156.49 171.38 . . 0 "[ . 1]"
111 . 1 32 SER N 1 32 SER CA 1 32 SER C 1 33 LEU N 131.00 179.00 168.81 166.63 174.40 . . 0 "[ . 1]"
112 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 GLU N -59.00 -19.00 -40.60 -41.66 -42.11 . . 0 "[ . 1]"
113 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 GLN N -63.00 -23.00 -35.09 -35.23 -37.77 . . 0 "[ . 1]"
114 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 ALA N -51.00 -9.00 -37.26 -40.00 -32.57 . . 0 "[ . 1]"
115 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 GLN N -57.00 -17.00 -29.39 -32.74 -24.85 . . 0 "[ . 1]"
116 . 1 39 GLN N 1 39 GLN CA 1 39 GLN C 1 40 CYS N -56.00 -6.00 -44.17 -43.74 -43.92 . . 0 "[ . 1]"
117 . 1 41 LYS N 1 41 LYS CA 1 41 LYS C 1 42 ALA N -49.00 5.00 -19.32 -19.21 -19.81 . . 0 "[ . 1]"
118 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 VAL N -32.00 18.00 -32.53 -32.16 -32.46 1.50 5 0 "[ . 1]"
119 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 ASP N 97.00 159.00 122.73 129.26 128.22 . . 0 "[ . 1]"
120 . 1 44 ASP N 1 44 ASP CA 1 44 ASP C 1 45 GLY N 112.00 152.00 129.82 117.77 141.22 . . 0 "[ . 1]"
121 . 1 46 CYS N 1 46 CYS CA 1 46 CYS C 1 47 THR N 126.00 172.00 129.78 125.73 136.86 0.27 2 0 "[ . 1]"
122 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 TYR N 95.00 151.00 107.62 109.04 108.18 . . 0 "[ . 1]"
123 . 1 51 TYR N 1 51 TYR CA 1 51 TYR C 1 52 ASN N 110.00 150.00 128.59 132.25 129.02 0.49 4 0 "[ . 1]"
124 . 1 52 ASN N 1 52 ASN CA 1 52 ASN C 1 53 ASP N 80.00 146.00 112.68 107.04 117.12 . . 0 "[ . 1]"
125 . 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1 55 SER N -57.00 1.00 -46.47 -57.46 -35.28 0.46 7 0 "[ . 1]"
126 . 1 55 SER N 1 55 SER CA 1 55 SER C 1 56 LYS N -22.00 26.00 2.51 1.70 -0.92 . . 0 "[ . 1]"
127 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 MET N 26.00 66.00 31.18 29.10 33.54 . . 0 "[ . 1]"
128 . 1 57 MET N 1 57 MET CA 1 57 MET C 1 58 CYS N 113.00 161.00 148.38 145.26 144.78 . . 0 "[ . 1]"
129 . 1 58 CYS N 1 58 CYS CA 1 58 CYS C 1 59 HIS N 110.00 160.00 111.17 111.26 110.42 0.31 8 0 "[ . 1]"
130 . 1 59 HIS N 1 59 HIS CA 1 59 HIS C 1 60 VAL N 97.00 157.00 95.67 95.20 96.13 1.80 5 0 "[ . 1]"
131 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 LYS N 110.00 150.00 133.62 130.46 135.88 . . 0 "[ . 1]"
132 . 1 61 LYS N 1 61 LYS CA 1 61 LYS C 1 62 GLU N 133.00 179.00 167.86 165.61 172.13 . . 0 "[ . 1]"
133 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 GLY N 113.00 165.00 171.53 170.88 173.04 8.04 8 10 [*******+-*]
134 . 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 LYS N 98.00 172.00 146.28 139.33 153.22 . . 0 "[ . 1]"
135 . 1 68 TYR N 1 68 TYR CA 1 68 TYR C 1 69 ASP N 135.00 175.00 163.07 158.66 170.24 . . 0 "[ . 1]"
136 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 LEU N 89.00 157.00 113.71 113.46 111.58 . . 0 "[ . 1]"
137 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 THR N 99.00 149.00 108.84 119.69 110.31 . . 0 "[ . 1]"
138 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 GLY N 112.00 152.00 119.86 117.30 125.82 . . 0 "[ . 1]"
139 . 1 74 LYS N 1 74 LYS CA 1 74 LYS C 1 75 THR N 103.00 143.00 100.33 100.63 100.43 3.59 5 0 "[ . 1]"
140 . 1 75 THR N 1 75 THR CA 1 75 THR C 1 76 ALA N 110.00 160.00 149.19 147.66 143.77 . . 0 "[ . 1]"
141 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 SER N 128.00 180.00 174.72 171.14 178.43 . . 0 "[ . 1]"
142 . 1 77 SER N 1 77 SER CA 1 77 SER C 1 78 ARG N 126.00 174.00 156.57 155.80 154.80 . . 0 "[ . 1]"
143 . 1 81 ASP N 1 81 ASP CA 1 81 ASP C 1 82 ARG N 98.00 158.00 134.72 125.74 145.70 . . 0 "[ . 1]"
144 . 1 83 SER N 1 83 SER CA 1 83 SER C 1 84 CYS N -55.00 -15.00 -26.95 -37.21 -16.72 . . 0 "[ . 1]"
145 . 1 85 PHE N 1 85 PHE CA 1 85 PHE C 1 86 GLU N 60.00 178.00 158.16 154.84 163.37 . . 0 "[ . 1]"
146 . 1 86 GLU N 1 86 GLU CA 1 86 GLU C 1 87 GLN N 74.00 168.00 113.06 116.97 114.25 . . 0 "[ . 1]"
147 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 SER N 110.00 -168.00 131.83 135.66 133.60 . . 0 "[ . 1]"
148 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 TYR N 109.00 -177.00 132.16 126.36 136.25 . . 0 "[ . 1]"
149 . 1 91 TYR N 1 91 TYR CA 1 91 TYR C 1 92 GLU N 124.00 -152.00 120.17 118.56 121.18 5.44 2 1 "[ + . 1]"
150 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 PRO N 103.00 153.00 140.57 151.91 142.01 . . 0 "[ . 1]"
151 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 MET N -45.00 37.00 -14.70 -17.45 -11.10 . . 0 "[ . 1]"
152 . 1 98 MET N 1 98 MET CA 1 98 MET C 1 99 THR N 131.00 171.00 164.24 163.53 163.35 0.74 10 0 "[ . 1]"
153 . 1 99 THR N 1 99 THR CA 1 99 THR C 1 100 ALA N 116.00 156.00 134.91 136.09 134.53 . . 0 "[ . 1]"
154 . 1 101 MET N 1 101 MET CA 1 101 MET C 1 102 VAL N 115.00 155.00 156.28 155.42 156.84 1.84 3 0 "[ . 1]"
155 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 THR N 104.00 144.00 113.67 109.47 103.90 0.10 1 0 "[ . 1]"
156 . 1 103 THR N 1 103 THR CA 1 103 THR C 1 104 SER N 72.00 164.00 160.87 156.59 165.38 1.38 4 0 "[ . 1]"
157 . 1 105 GLN N 1 105 GLN CA 1 105 GLN C 1 106 SER N 70.00 150.00 141.41 139.21 134.91 . . 0 "[ . 1]"
158 . 1 106 SER N 1 106 SER CA 1 106 SER C 1 107 ALA N -51.00 -11.00 -15.33 -19.41 -11.02 . . 0 "[ . 1]"
159 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 ASP N -62.00 -22.00 -43.93 -41.84 -43.19 . . 0 "[ . 1]"
160 . 1 108 ASP N 1 108 ASP CA 1 108 ASP C 1 109 CYS N -61.00 5.00 -44.16 -46.19 -40.70 . . 0 "[ . 1]"
161 . 1 110 GLN N 1 110 GLN CA 1 110 GLN C 1 111 ALA N -59.00 -19.00 -53.56 -58.02 -48.90 . . 0 "[ . 1]"
162 . 1 111 ALA N 1 111 ALA CA 1 111 ALA C 1 112 ALA N -71.00 -31.00 -30.45 -30.44 -30.46 2.13 5 0 "[ . 1]"
163 . 1 114 ALA N 1 114 ALA CA 1 114 ALA C 1 115 ALA N -55.00 -11.00 -18.85 -27.62 -12.46 . . 0 "[ . 1]"
164 . 1 116 ASP N 1 116 ASP CA 1 116 ASP C 1 117 PRO N 100.00 -176.00 134.82 137.07 136.20 . . 0 "[ . 1]"
165 . 1 119 CYS N 1 119 CYS CA 1 119 CYS C 1 120 GLU N 108.00 -152.00 133.89 127.70 137.41 . . 0 "[ . 1]"
166 . 1 121 ILE N 1 121 ILE CA 1 121 ILE C 1 122 PHE N 138.00 -176.00 173.20 171.90 175.53 . . 0 "[ . 1]"
167 . 1 122 PHE N 1 122 PHE CA 1 122 PHE C 1 123 THR N 133.00 173.00 165.46 152.72 169.90 . . 0 "[ . 1]"
168 . 1 123 THR N 1 123 THR CA 1 123 THR C 1 124 TYR N 110.00 150.00 130.07 121.89 141.11 . . 0 "[ . 1]"
169 . 1 124 TYR N 1 124 TYR CA 1 124 TYR C 1 125 ASN N 105.00 145.00 113.43 110.42 115.58 . . 0 "[ . 1]"
170 . 1 125 ASN N 1 125 ASN CA 1 125 ASN C 1 126 GLU N 66.00 176.00 105.49 100.57 110.11 . . 0 "[ . 1]"
171 . 1 127 HIS N 1 127 HIS CA 1 127 HIS C 1 128 ASP N -58.00 -2.00 -52.90 -51.91 -55.04 1.05 1 0 "[ . 1]"
172 . 1 128 ASP N 1 128 ASP CA 1 128 ASP C 1 129 GLN N -17.00 23.00 -5.82 -2.58 -4.40 . . 0 "[ . 1]"
173 . 1 130 LYS N 1 130 LYS CA 1 130 LYS C 1 131 CYS N 114.00 154.00 147.98 140.30 154.33 0.33 7 0 "[ . 1]"
174 . 1 131 CYS N 1 131 CYS CA 1 131 CYS C 1 132 THR N 122.00 176.00 149.01 142.11 157.20 . . 0 "[ . 1]"
175 . 1 132 THR N 1 132 THR CA 1 132 THR C 1 133 PHE N 117.00 173.00 138.77 131.81 146.24 . . 0 "[ . 1]"
176 . 1 133 PHE N 1 133 PHE CA 1 133 PHE C 1 134 LYS N 127.00 -179.00 124.48 126.35 124.78 3.74 3 0 "[ . 1]"
177 . 1 134 LYS N 1 134 LYS CA 1 134 LYS C 1 135 GLY N 96.00 158.00 149.09 145.42 151.89 . . 0 "[ . 1]"
178 . 1 138 PHE N 1 138 PHE CA 1 138 PHE C 1 139 SER N -64.00 4.00 -30.41 -34.55 -23.98 . . 0 "[ . 1]"
179 . 1 139 SER N 1 139 SER CA 1 139 SER C 1 140 ALA N -60.00 -20.00 -28.42 -27.04 -29.51 . . 0 "[ . 1]"
180 . 1 140 ALA N 1 140 ALA CA 1 140 ALA C 1 141 PHE N -50.00 12.00 -25.77 -21.29 -24.20 . . 0 "[ . 1]"
181 . 1 141 PHE N 1 141 PHE CA 1 141 PHE C 1 142 LYS N -46.00 36.00 30.69 22.65 36.17 0.17 5 0 "[ . 1]"
182 . 1 142 LYS N 1 142 LYS CA 1 142 LYS C 1 143 GLU N 107.00 147.00 132.38 135.13 134.07 . . 0 "[ . 1]"
183 . 1 143 GLU N 1 143 GLU CA 1 143 GLU C 1 144 ARG N 92.00 172.00 111.38 105.82 118.57 . . 0 "[ . 1]"
184 . 1 144 ARG N 1 144 ARG CA 1 144 ARG C 1 145 GLY N 113.00 163.00 140.93 137.15 134.32 . . 0 "[ . 1]"
185 . 1 146 VAL N 1 146 VAL CA 1 146 VAL C 1 147 LEU N 94.00 170.00 110.44 105.32 118.87 . . 0 "[ . 1]"
186 . 1 149 VAL N 1 149 VAL CA 1 149 VAL C 1 150 THR N 131.00 171.00 152.08 145.92 157.67 . . 0 "[ . 1]"
187 . 1 150 THR N 1 150 THR CA 1 150 THR C 1 151 SER N 105.00 149.00 119.17 114.33 123.70 . . 0 "[ . 1]"
188 . 1 151 SER N 1 151 SER CA 1 151 SER C 1 152 GLY N 136.00 -170.00 153.53 134.86 167.67 1.14 10 0 "[ . 1]"
189 . 1 152 GLY N 1 152 GLY CA 1 152 GLY C 1 153 PRO N 89.00 173.00 113.07 113.52 112.57 . . 0 "[ . 1]"
190 . 1 156 PHE N 1 156 PHE CA 1 156 PHE C 1 157 CYS N 114.00 154.00 117.69 113.69 131.26 0.31 2 0 "[ . 1]"
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