NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428555 |
2i94   |
7293 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2i94
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 227
_TA_constraint_stats_list.Viol_count 190
_TA_constraint_stats_list.Viol_total 17171.33
_TA_constraint_stats_list.Viol_max 85.01
_TA_constraint_stats_list.Viol_rms 5.19
_TA_constraint_stats_list.Viol_average_all_restraints 0.76
_TA_constraint_stats_list.Viol_average_violations_only 9.04
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 8 ALA C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -110.00 -10.00 -28.09 52.95 -55.84 75.42 6 6 "[ * *.+**-1]"
2 . 1 9 LEU C 1 10 SER N 1 10 SER CA 1 10 SER C -110.00 -10.00 -29.95 -40.97 -9.07 0.93 3 0 "[ . 1]"
3 . 1 10 SER C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -90.00 -30.00 -52.62 -66.35 -47.11 . . 0 "[ . 1]"
4 . 1 11 LYS C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -90.00 -30.00 -64.29 -73.81 -50.58 . . 0 "[ . 1]"
5 . 1 12 GLU C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -90.00 -30.00 -57.76 -66.61 -48.94 . . 0 "[ . 1]"
6 . 1 13 ILE C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -90.00 -30.00 -61.78 -70.27 -52.81 . . 0 "[ . 1]"
7 . 1 14 LEU C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -90.00 -30.00 -53.87 -54.71 -55.80 . . 0 "[ . 1]"
8 . 1 15 GLU C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -90.00 -30.00 -78.71 -90.52 -56.54 0.52 8 0 "[ . 1]"
9 . 1 16 GLU C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -90.00 -30.00 -1.58 -103.44 55.01 85.01 1 7 "[+*-*.* * *]"
10 . 1 24 THR C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -90.00 -30.00 -46.81 -79.07 -38.48 . . 0 "[ . 1]"
11 . 1 25 GLU C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -90.00 -30.00 -73.56 -90.65 -58.27 0.65 10 0 "[ . 1]"
12 . 1 26 GLU C 1 27 GLU N 1 27 GLU CA 1 27 GLU C -90.00 -30.00 -62.13 -60.91 -61.81 . . 0 "[ . 1]"
13 . 1 27 GLU C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -90.00 -30.00 -59.91 -61.29 -63.10 . . 0 "[ . 1]"
14 . 1 28 LEU C 1 29 SER N 1 29 SER CA 1 29 SER C -90.00 -30.00 -71.24 -76.96 -63.46 . . 0 "[ . 1]"
15 . 1 29 SER C 1 30 SER N 1 30 SER CA 1 30 SER C -90.00 -30.00 -53.27 -53.45 -56.06 . . 0 "[ . 1]"
16 . 1 30 SER C 1 31 TRP N 1 31 TRP CA 1 31 TRP C -90.00 -30.00 -60.03 -64.06 -52.52 . . 0 "[ . 1]"
17 . 1 31 TRP C 1 32 TYR N 1 32 TYR CA 1 32 TYR C -90.00 -30.00 -42.18 -40.73 -41.80 . . 0 "[ . 1]"
18 . 1 32 TYR C 1 33 GLN N 1 33 GLN CA 1 33 GLN C -90.00 -30.00 -69.35 -75.69 -53.81 . . 0 "[ . 1]"
19 . 1 33 GLN C 1 34 SER N 1 34 SER CA 1 34 SER C -90.00 -30.00 -70.07 -70.87 -72.24 . . 0 "[ . 1]"
20 . 1 34 SER C 1 35 PHE N 1 35 PHE CA 1 35 PHE C -90.00 -30.00 -67.13 -52.46 -60.21 2.19 9 0 "[ . 1]"
21 . 1 42 GLY C 1 43 ARG N 1 43 ARG CA 1 43 ARG C -170.00 -70.00 -115.34 -155.33 -41.47 28.53 4 1 "[ +. 1]"
22 . 1 43 ARG C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -170.00 -70.00 -88.02 -115.20 -69.65 0.35 9 0 "[ . 1]"
23 . 1 44 ILE C 1 45 THR N 1 45 THR CA 1 45 THR C -170.00 -70.00 -86.32 -78.14 -85.35 0.25 3 0 "[ . 1]"
24 . 1 45 THR C 1 46 ARG N 1 46 ARG CA 1 46 ARG C -90.00 -30.00 -56.90 -56.47 -57.45 . . 0 "[ . 1]"
25 . 1 46 ARG C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -90.00 -30.00 -45.80 -48.12 -54.71 . . 0 "[ . 1]"
26 . 1 47 GLN C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -90.00 -30.00 -60.78 -60.34 -60.34 . . 0 "[ . 1]"
27 . 1 48 GLU C 1 49 PHE N 1 49 PHE CA 1 49 PHE C -90.00 -30.00 -49.37 -49.53 -50.37 . . 0 "[ . 1]"
28 . 1 49 PHE C 1 50 GLN N 1 50 GLN CA 1 50 GLN C -90.00 -30.00 -56.67 -54.45 -58.57 . . 0 "[ . 1]"
29 . 1 50 GLN C 1 51 THR N 1 51 THR CA 1 51 THR C -90.00 -30.00 -69.94 -69.37 -70.84 . . 0 "[ . 1]"
30 . 1 51 THR C 1 52 ILE N 1 52 ILE CA 1 52 ILE C -90.00 -30.00 -62.81 -69.17 -53.75 . . 0 "[ . 1]"
31 . 1 52 ILE C 1 53 TYR N 1 53 TYR CA 1 53 TYR C -90.00 -30.00 -71.65 -77.88 -62.98 . . 0 "[ . 1]"
32 . 1 53 TYR C 1 54 SER N 1 54 SER CA 1 54 SER C -90.00 -30.00 -92.21 -99.84 -64.37 9.84 2 6 "[ +-*.*** 1]"
33 . 1 54 SER C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -90.00 -30.00 -100.95 -111.96 -94.77 21.96 4 8 [***+.*-**1]
34 . 1 55 LYS C 1 56 PHE N 1 56 PHE CA 1 56 PHE C -90.00 -30.00 -99.31 -108.82 -92.22 18.82 2 8 [*+**.*-**1]
35 . 1 62 PRO C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -90.00 -30.00 -46.48 -40.55 -43.91 . . 0 "[ . 1]"
36 . 1 63 LYS C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -90.00 -30.00 -60.47 -78.19 -44.16 . . 0 "[ . 1]"
37 . 1 64 ALA C 1 65 TYR N 1 65 TYR CA 1 65 TYR C -90.00 -30.00 -63.46 -63.02 -65.24 . . 0 "[ . 1]"
38 . 1 65 TYR C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -90.00 -30.00 -63.90 -72.89 -44.62 . . 0 "[ . 1]"
39 . 1 66 ALA C 1 67 GLN N 1 67 GLN CA 1 67 GLN C -90.00 -30.00 -73.68 -64.04 -71.34 . . 0 "[ . 1]"
40 . 1 67 GLN C 1 68 HIS N 1 68 HIS CA 1 68 HIS C -90.00 -30.00 -71.13 -79.45 -60.51 . . 0 "[ . 1]"
41 . 1 68 HIS C 1 69 VAL N 1 69 VAL CA 1 69 VAL C -90.00 -30.00 -55.37 -53.64 -58.97 . . 0 "[ . 1]"
42 . 1 69 VAL C 1 70 PHE N 1 70 PHE CA 1 70 PHE C -90.00 -30.00 -55.77 -66.06 -45.86 . . 0 "[ . 1]"
43 . 1 74 ASP C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -110.00 -10.00 -73.24 -88.38 -65.77 . . 0 "[ . 1]"
44 . 1 75 ALA C 1 76 ASN N 1 76 ASN CA 1 76 ASN C -170.00 -70.00 -69.24 -72.01 -68.52 1.48 10 0 "[ . 1]"
45 . 1 77 SER C 1 78 ASP N 1 78 ASP CA 1 78 ASP C -170.00 -70.00 -149.79 -107.90 -147.15 . . 0 "[ . 1]"
46 . 1 79 GLY C 1 80 THR N 1 80 THR CA 1 80 THR C -150.00 -90.00 -141.13 -158.03 -121.82 8.03 9 2 "[ - +1]"
47 . 1 80 THR C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -150.00 -90.00 -92.85 -123.31 -64.44 25.56 10 2 "[- . +]"
48 . 1 81 LEU C 1 82 ASP N 1 82 ASP CA 1 82 ASP C -150.00 -90.00 -72.70 -78.23 -80.67 31.17 5 10 [-***+*****]
49 . 1 82 ASP C 1 83 PHE N 1 83 PHE CA 1 83 PHE C -90.00 -30.00 -49.45 -45.79 -46.96 . . 0 "[ . 1]"
50 . 1 83 PHE C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -90.00 -30.00 -50.57 -70.32 -39.65 . . 0 "[ . 1]"
51 . 1 84 LYS C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -90.00 -30.00 -61.55 -79.64 -53.39 . . 0 "[ . 1]"
52 . 1 85 GLU C 1 86 TYR N 1 86 TYR CA 1 86 TYR C -90.00 -30.00 -61.21 -64.25 -65.56 . . 0 "[ . 1]"
53 . 1 86 TYR C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -90.00 -30.00 -65.11 -74.77 -53.04 . . 0 "[ . 1]"
54 . 1 87 VAL C 1 88 ILE N 1 88 ILE CA 1 88 ILE C -90.00 -30.00 -55.99 -68.99 -42.62 . . 0 "[ . 1]"
55 . 1 88 ILE C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -90.00 -30.00 -71.09 -70.85 -72.27 . . 0 "[ . 1]"
56 . 1 89 ALA C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -90.00 -30.00 -65.28 -74.93 -58.32 . . 0 "[ . 1]"
57 . 1 101 LYS C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -90.00 -30.00 -46.44 -54.71 -41.33 . . 0 "[ . 1]"
58 . 1 102 LEU C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -90.00 -30.00 -48.19 -55.34 -43.20 . . 0 "[ . 1]"
59 . 1 103 GLU C 1 104 TRP N 1 104 TRP CA 1 104 TRP C -90.00 -30.00 -66.99 -56.17 -60.87 . . 0 "[ . 1]"
60 . 1 104 TRP C 1 105 ALA N 1 105 ALA CA 1 105 ALA C -90.00 -30.00 -61.79 -58.16 -59.88 . . 0 "[ . 1]"
61 . 1 105 ALA C 1 106 PHE N 1 106 PHE CA 1 106 PHE C -90.00 -30.00 -56.26 -57.22 -62.58 . . 0 "[ . 1]"
62 . 1 106 PHE C 1 107 SER N 1 107 SER CA 1 107 SER C -90.00 -30.00 -66.74 -72.72 -93.85 3.85 1 0 "[ . 1]"
63 . 1 107 SER C 1 108 LEU N 1 108 LEU CA 1 108 LEU C -90.00 -30.00 -53.58 -49.11 -50.89 . . 0 "[ . 1]"
64 . 1 110 ASP C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -110.00 -10.00 -70.24 -86.67 -88.80 . . 0 "[ . 1]"
65 . 1 113 GLY C 1 114 ASN N 1 114 ASN CA 1 114 ASN C -170.00 -70.00 -143.00 -164.60 -170.75 9.30 1 1 "[+ . 1]"
66 . 1 115 GLY C 1 116 THR N 1 116 THR CA 1 116 THR C -150.00 -90.00 -126.82 -155.64 -160.94 24.33 3 9 "[* +******-]"
67 . 1 116 THR C 1 117 ILE N 1 117 ILE CA 1 117 ILE C -150.00 -90.00 -93.43 -98.11 -98.66 6.99 3 2 "[ + - 1]"
68 . 1 117 ILE C 1 118 SER N 1 118 SER CA 1 118 SER C -150.00 -90.00 -124.71 -138.28 -95.23 . . 0 "[ . 1]"
69 . 1 118 SER C 1 119 LYS N 1 119 LYS CA 1 119 LYS C -90.00 -30.00 -50.21 -45.07 -47.30 . . 0 "[ . 1]"
70 . 1 119 LYS C 1 120 ASN N 1 120 ASN CA 1 120 ASN C -90.00 -30.00 -75.68 -84.23 -69.74 . . 0 "[ . 1]"
71 . 1 120 ASN C 1 121 GLU N 1 121 GLU CA 1 121 GLU C -90.00 -30.00 -70.50 -74.17 -64.64 . . 0 "[ . 1]"
72 . 1 121 GLU C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -90.00 -30.00 -58.20 -56.43 -58.23 . . 0 "[ . 1]"
73 . 1 122 VAL C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -90.00 -30.00 -47.91 -40.81 -42.84 . . 0 "[ . 1]"
74 . 1 123 LEU C 1 124 GLU N 1 124 GLU CA 1 124 GLU C -90.00 -30.00 -55.36 -59.11 -63.06 . . 0 "[ . 1]"
75 . 1 124 GLU C 1 125 ILE N 1 125 ILE CA 1 125 ILE C -90.00 -30.00 -56.77 -59.11 -61.63 . . 0 "[ . 1]"
76 . 1 125 ILE C 1 126 VAL N 1 126 VAL CA 1 126 VAL C -90.00 -30.00 -65.16 -66.78 -67.78 . . 0 "[ . 1]"
77 . 1 126 VAL C 1 127 THR N 1 127 THR CA 1 127 THR C -90.00 -30.00 -64.39 -70.45 -60.11 . . 0 "[ . 1]"
78 . 1 127 THR C 1 128 ALA N 1 128 ALA CA 1 128 ALA C -90.00 -30.00 -57.91 -62.62 -55.22 . . 0 "[ . 1]"
79 . 1 128 ALA C 1 129 ILE N 1 129 ILE CA 1 129 ILE C -90.00 -30.00 -58.48 -65.23 -53.57 . . 0 "[ . 1]"
80 . 1 133 ILE C 1 134 SER N 1 134 SER CA 1 134 SER C -110.00 -10.00 -68.77 -89.21 -42.91 . . 0 "[ . 1]"
81 . 1 135 PRO C 1 136 GLU N 1 136 GLU CA 1 136 GLU C -90.00 -30.00 -47.09 -55.07 -40.39 . . 0 "[ . 1]"
82 . 1 137 ASP C 1 138 THR N 1 138 THR CA 1 138 THR C -90.00 -30.00 -70.75 -88.53 -48.51 . . 0 "[ . 1]"
83 . 1 138 THR C 1 139 LYS N 1 139 LYS CA 1 139 LYS C -90.00 -30.00 -70.50 -91.56 -49.96 1.56 2 0 "[ . 1]"
84 . 1 140 HIS C 1 141 LEU N 1 141 LEU CA 1 141 LEU C -110.00 -10.00 -68.61 -80.55 -99.58 0.69 4 0 "[ . 1]"
85 . 1 142 PRO C 1 143 GLU N 1 143 GLU CA 1 143 GLU C -110.00 -10.00 -79.45 -109.89 -52.90 . . 0 "[ . 1]"
86 . 1 148 PRO C 1 149 GLU N 1 149 GLU CA 1 149 GLU C -90.00 -30.00 -64.79 -75.71 -79.51 . . 0 "[ . 1]"
87 . 1 149 GLU C 1 150 LYS N 1 150 LYS CA 1 150 LYS C -90.00 -30.00 -74.45 -77.69 -79.47 0.19 3 0 "[ . 1]"
88 . 1 150 LYS C 1 151 ARG N 1 151 ARG CA 1 151 ARG C -90.00 -30.00 -72.26 -73.86 -75.92 . . 0 "[ . 1]"
89 . 1 151 ARG C 1 152 ALA N 1 152 ALA CA 1 152 ALA C -90.00 -30.00 -51.77 -51.90 -52.94 . . 0 "[ . 1]"
90 . 1 152 ALA C 1 153 GLU N 1 153 GLU CA 1 153 GLU C -90.00 -30.00 -77.77 -75.06 -77.75 . . 0 "[ . 1]"
91 . 1 153 GLU C 1 154 LYS N 1 154 LYS CA 1 154 LYS C -90.00 -30.00 -74.65 -71.24 -73.65 . . 0 "[ . 1]"
92 . 1 154 LYS C 1 155 ILE N 1 155 ILE CA 1 155 ILE C -90.00 -30.00 -75.57 -76.62 -77.65 . . 0 "[ . 1]"
93 . 1 155 ILE C 1 156 TRP N 1 156 TRP CA 1 156 TRP C -90.00 -30.00 -60.81 -62.16 -63.25 . . 0 "[ . 1]"
94 . 1 156 TRP C 1 157 GLY N 1 157 GLY CA 1 157 GLY C -90.00 -30.00 -76.63 -85.99 -65.51 . . 0 "[ . 1]"
95 . 1 163 ASP C 1 164 ASP N 1 164 ASP CA 1 164 ASP C -170.00 -70.00 -93.33 -71.62 -73.88 0.42 10 0 "[ . 1]"
96 . 1 165 ASP C 1 166 LYS N 1 166 LYS CA 1 166 LYS C -150.00 -90.00 -79.97 -101.17 -68.99 21.01 4 7 "[ *+** -**]"
97 . 1 166 LYS C 1 167 LEU N 1 167 LEU CA 1 167 LEU C -150.00 -90.00 -86.21 -107.45 -62.78 27.22 1 4 "[+* * -]"
98 . 1 167 LEU C 1 168 THR N 1 168 THR CA 1 168 THR C -150.00 -90.00 -90.82 -85.19 -88.90 9.82 8 2 "[ . + -]"
99 . 1 168 THR C 1 169 GLU N 1 169 GLU CA 1 169 GLU C -90.00 -30.00 -58.63 -66.62 -50.83 . . 0 "[ . 1]"
100 . 1 169 GLU C 1 170 LYS N 1 170 LYS CA 1 170 LYS C -90.00 -30.00 -65.63 -73.36 -44.03 . . 0 "[ . 1]"
101 . 1 170 LYS C 1 171 GLU N 1 171 GLU CA 1 171 GLU C -90.00 -30.00 -52.74 -66.95 -45.06 . . 0 "[ . 1]"
102 . 1 171 GLU C 1 172 PHE N 1 172 PHE CA 1 172 PHE C -90.00 -30.00 -48.77 -48.77 -50.41 . . 0 "[ . 1]"
103 . 1 172 PHE C 1 173 ILE N 1 173 ILE CA 1 173 ILE C -90.00 -30.00 -77.73 -80.83 -86.79 0.44 10 0 "[ . 1]"
104 . 1 173 ILE C 1 174 GLU N 1 174 GLU CA 1 174 GLU C -90.00 -30.00 -78.70 -79.78 -80.15 . . 0 "[ . 1]"
105 . 1 174 GLU C 1 175 GLY N 1 175 GLY CA 1 175 GLY C -90.00 -30.00 -54.57 -56.34 -56.82 . . 0 "[ . 1]"
106 . 1 178 ALA C 1 179 ASN N 1 179 ASN CA 1 179 ASN C -110.00 -10.00 -81.69 -105.63 -54.25 . . 0 "[ . 1]"
107 . 1 181 GLU C 1 182 ILE N 1 182 ILE CA 1 182 ILE C -90.00 -30.00 -75.68 -76.81 -82.69 0.83 3 0 "[ . 1]"
108 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 LYS N -70.00 -10.00 -50.30 -37.64 -42.80 . . 0 "[ . 1]"
109 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 GLU N -70.00 -10.00 -44.85 -48.52 -51.55 . . 0 "[ . 1]"
110 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 ILE N -70.00 -10.00 -51.93 -51.90 -52.69 . . 0 "[ . 1]"
111 . 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 LEU N -70.00 -10.00 -41.95 -39.82 -43.79 . . 0 "[ . 1]"
112 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 GLU N -70.00 -10.00 -43.76 -52.87 -34.22 . . 0 "[ . 1]"
113 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 GLU N -70.00 -10.00 -25.55 -29.88 -35.27 . . 0 "[ . 1]"
114 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 LEU N -70.00 -10.00 -21.80 -32.50 -9.32 0.68 8 0 "[ . 1]"
115 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 GLU N -70.00 -10.00 -30.95 -41.67 -10.11 . . 0 "[ . 1]"
116 . 1 27 GLU N 1 27 GLU CA 1 27 GLU C 1 28 LEU N -70.00 -10.00 -43.00 -67.53 -29.01 . . 0 "[ . 1]"
117 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 SER N -70.00 -10.00 -24.47 -31.44 -10.03 . . 0 "[ . 1]"
118 . 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 SER N -70.00 -10.00 -57.21 -61.49 -54.16 . . 0 "[ . 1]"
119 . 1 30 SER N 1 30 SER CA 1 30 SER C 1 21 THR N -70.00 -10.00 -37.05 -45.28 -27.86 . . 0 "[ . 1]"
120 . 1 31 TRP N 1 31 TRP CA 1 31 TRP C 1 32 TYR N -70.00 -10.00 -60.10 -66.92 -54.78 . . 0 "[ . 1]"
121 . 1 32 TYR N 1 32 TYR CA 1 32 TYR C 1 33 GLN N -70.00 -10.00 -41.22 -46.60 -56.08 . . 0 "[ . 1]"
122 . 1 33 GLN N 1 33 GLN CA 1 33 GLN C 1 34 SER N -70.00 -10.00 -40.23 -34.48 -37.32 . . 0 "[ . 1]"
123 . 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 PHE N -70.00 -10.00 -41.00 -50.56 -54.24 . . 0 "[ . 1]"
124 . 1 35 PHE N 1 35 PHE CA 1 35 PHE C 1 36 LEU N -70.00 -10.00 -31.27 -36.31 -25.88 . . 0 "[ . 1]"
125 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 LYS N -90.00 10.00 -46.00 -51.02 -56.30 . . 0 "[ . 1]"
126 . 1 43 ARG N 1 43 ARG CA 1 43 ARG C 1 44 ILE N 100.00 160.00 114.43 108.10 106.78 . . 0 "[ . 1]"
127 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 THR N 100.00 160.00 126.82 121.22 115.70 . . 0 "[ . 1]"
128 . 1 45 THR N 1 45 THR CA 1 45 THR C 1 46 ARG N 100.00 160.00 160.01 161.09 160.46 1.19 2 0 "[ . 1]"
129 . 1 46 ARG N 1 46 ARG CA 1 46 ARG C 1 47 GLN N -70.00 -10.00 -58.04 -69.76 -35.51 . . 0 "[ . 1]"
130 . 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 GLU N -70.00 -10.00 -45.74 -48.56 -52.21 . . 0 "[ . 1]"
131 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 PHE N -70.00 -10.00 -54.10 -56.95 -49.88 . . 0 "[ . 1]"
132 . 1 49 PHE N 1 49 PHE CA 1 49 PHE C 1 50 GLN N -70.00 -10.00 -45.11 -52.56 -33.30 . . 0 "[ . 1]"
133 . 1 50 GLN N 1 50 GLN CA 1 50 GLN C 1 51 THR N -90.00 10.00 -24.81 -28.43 -21.46 . . 0 "[ . 1]"
134 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 ILE N -90.00 10.00 -35.63 -44.72 -30.07 . . 0 "[ . 1]"
135 . 1 52 ILE N 1 52 ILE CA 1 52 ILE C 1 53 TYR N -70.00 -10.00 -53.78 -57.74 -51.48 . . 0 "[ . 1]"
136 . 1 53 TYR N 1 53 TYR CA 1 53 TYR C 1 54 SER N -70.00 -10.00 -15.96 -17.27 -21.44 1.41 10 0 "[ . 1]"
137 . 1 54 SER N 1 54 SER CA 1 54 SER C 1 55 LYS N -70.00 -10.00 -11.67 -9.67 -9.77 1.17 4 0 "[ . 1]"
138 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 PHE N -70.00 -10.00 -27.05 -23.87 -28.44 . . 0 "[ . 1]"
139 . 1 56 PHE N 1 56 PHE CA 1 56 PHE C 1 57 PHE N -90.00 10.00 -52.75 -21.56 -61.56 4.29 7 0 "[ . 1]"
140 . 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 ALA N -90.00 10.00 -54.16 -55.64 -61.16 . . 0 "[ . 1]"
141 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 TYR N -70.00 -10.00 -43.81 -49.95 -36.29 . . 0 "[ . 1]"
142 . 1 65 TYR N 1 65 TYR CA 1 65 TYR C 1 66 ALA N -70.00 -10.00 -39.85 -23.32 -30.34 . . 0 "[ . 1]"
143 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 GLN N -70.00 -10.00 -41.75 -59.01 -28.74 . . 0 "[ . 1]"
144 . 1 67 GLN N 1 67 GLN CA 1 67 GLN C 1 68 HIS N -70.00 -10.00 -23.38 -20.69 -24.63 . . 0 "[ . 1]"
145 . 1 68 HIS N 1 68 HIS CA 1 68 HIS C 1 69 VAL N -70.00 -10.00 -46.94 -54.11 -36.99 . . 0 "[ . 1]"
146 . 1 69 VAL N 1 69 VAL CA 1 69 VAL C 1 70 PHE N -70.00 -10.00 -38.68 -38.27 -42.02 . . 0 "[ . 1]"
147 . 1 70 PHE N 1 70 PHE CA 1 70 PHE C 1 71 ARG N -70.00 -10.00 -55.41 -63.81 -43.12 . . 0 "[ . 1]"
148 . 1 80 THR N 1 80 THR CA 1 80 THR C 1 81 LEU N 100.00 160.00 159.45 153.29 161.60 1.60 1 0 "[ . 1]"
149 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 ASP N 100.00 160.00 106.16 98.84 126.67 1.16 2 0 "[ . 1]"
150 . 1 82 ASP N 1 82 ASP CA 1 82 ASP C 1 83 PHE N 100.00 160.00 158.05 147.27 161.32 1.32 1 0 "[ . 1]"
151 . 1 83 PHE N 1 83 PHE CA 1 83 PHE C 1 84 LYS N -70.00 -10.00 -42.99 -56.77 -18.68 . . 0 "[ . 1]"
152 . 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 GLU N -70.00 -10.00 -53.52 -49.65 -53.38 0.73 6 0 "[ . 1]"
153 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 TYR N -70.00 -10.00 -31.21 -39.38 -24.34 . . 0 "[ . 1]"
154 . 1 86 TYR N 1 86 TYR CA 1 86 TYR C 1 87 VAL N -70.00 -10.00 -44.03 -42.79 -44.41 . . 0 "[ . 1]"
155 . 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 ILE N -70.00 -10.00 -41.31 -33.76 -40.11 . . 0 "[ . 1]"
156 . 1 88 ILE N 1 88 ILE CA 1 88 ILE C 1 89 ALA N -70.00 -10.00 -38.25 -49.33 -30.10 . . 0 "[ . 1]"
157 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 LEU N -70.00 -10.00 -46.74 -31.13 -38.68 . . 0 "[ . 1]"
158 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 HIS N -70.00 -10.00 -27.50 -48.89 -11.01 . . 0 "[ . 1]"
159 . 1 101 LYS N 1 101 LYS CA 1 101 LYS C 1 102 LEU N -90.00 10.00 -27.29 -75.36 -2.49 . . 0 "[ . 1]"
160 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 GLU N -70.00 -10.00 -46.75 -43.69 -45.27 . . 0 "[ . 1]"
161 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 TRP N -70.00 -10.00 -40.99 -51.32 -29.48 . . 0 "[ . 1]"
162 . 1 104 TRP N 1 104 TRP CA 1 104 TRP C 1 105 ALA N -70.00 -10.00 -36.09 -46.48 -24.20 . . 0 "[ . 1]"
163 . 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 PHE N -70.00 -10.00 -38.76 -45.30 -22.90 . . 0 "[ . 1]"
164 . 1 106 PHE N 1 106 PHE CA 1 106 PHE C 1 107 SER N -70.00 -10.00 -37.82 -46.32 -14.06 . . 0 "[ . 1]"
165 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 LEU N -70.00 -10.00 -52.30 -56.03 -57.42 . . 0 "[ . 1]"
166 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C 1 109 TYR N -70.00 -10.00 -52.48 -65.18 -34.47 . . 0 "[ . 1]"
167 . 1 116 THR N 1 116 THR CA 1 116 THR C 1 117 ILE N 100.00 160.00 135.24 120.66 158.16 . . 0 "[ . 1]"
168 . 1 117 ILE N 1 117 ILE CA 1 117 ILE C 1 118 SER N 100.00 160.00 143.70 133.40 109.70 . . 0 "[ . 1]"
169 . 1 118 SER N 1 118 SER CA 1 118 SER C 1 119 LYS N 100.00 160.00 150.75 140.75 160.81 0.81 4 0 "[ . 1]"
170 . 1 119 LYS N 1 119 LYS CA 1 119 LYS C 1 120 ASN N -70.00 -10.00 -27.00 -18.65 -27.28 . . 0 "[ . 1]"
171 . 1 120 ASN N 1 120 ASN CA 1 120 ASN C 1 121 GLU N -70.00 -10.00 -31.34 -32.66 -35.25 . . 0 "[ . 1]"
172 . 1 121 GLU N 1 121 GLU CA 1 121 GLU C 1 122 VAL N -90.00 10.00 -51.09 -51.29 -53.17 . . 0 "[ . 1]"
173 . 1 122 VAL N 1 122 VAL CA 1 122 VAL C 1 123 LEU N -70.00 -10.00 -40.14 -46.21 -31.51 . . 0 "[ . 1]"
174 . 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 GLU N -70.00 -10.00 -51.26 -58.65 -42.10 . . 0 "[ . 1]"
175 . 1 124 GLU N 1 124 GLU CA 1 124 GLU C 1 125 ILE N -90.00 10.00 -53.25 -51.52 -53.54 . . 0 "[ . 1]"
176 . 1 125 ILE N 1 125 ILE CA 1 125 ILE C 1 126 VAL N -70.00 -10.00 -41.87 -54.75 -33.10 . . 0 "[ . 1]"
177 . 1 126 VAL N 1 126 VAL CA 1 126 VAL C 1 127 THR N -70.00 -10.00 -45.01 -46.87 -47.21 . . 0 "[ . 1]"
178 . 1 127 THR N 1 127 THR CA 1 127 THR C 1 128 ALA N -70.00 -10.00 -44.99 -43.76 -48.35 . . 0 "[ . 1]"
179 . 1 128 ALA N 1 128 ALA CA 1 128 ALA C 1 129 ILE N -70.00 -10.00 -47.52 -52.93 -39.38 . . 0 "[ . 1]"
180 . 1 129 ILE N 1 129 ILE CA 1 129 ILE C 1 130 PHE N -70.00 -10.00 -47.93 -54.75 -42.49 . . 0 "[ . 1]"
181 . 1 130 PHE N 1 130 PHE CA 1 130 PHE C 1 131 LYS N -90.00 10.00 -38.23 -38.56 -47.58 . . 0 "[ . 1]"
182 . 1 148 PRO N 1 148 PRO CA 1 148 PRO C 1 149 GLU N -90.00 10.00 -45.48 -66.09 -26.52 . . 0 "[ . 1]"
183 . 1 149 GLU N 1 149 GLU CA 1 149 GLU C 1 150 LYS N -70.00 -10.00 -33.34 -31.13 -31.91 . . 0 "[ . 1]"
184 . 1 150 LYS N 1 150 LYS CA 1 150 LYS C 1 151 ARG N -70.00 -10.00 -43.10 -53.99 -27.11 . . 0 "[ . 1]"
185 . 1 151 ARG N 1 151 ARG CA 1 151 ARG C 1 152 ALA N -70.00 -10.00 -39.09 -50.27 -28.27 . . 0 "[ . 1]"
186 . 1 152 ALA N 1 152 ALA CA 1 152 ALA C 1 153 GLU N -70.00 -10.00 -29.99 -34.65 -21.77 . . 0 "[ . 1]"
187 . 1 153 GLU N 1 153 GLU CA 1 153 GLU C 1 154 LYS N -70.00 -10.00 -21.13 -29.37 -17.57 . . 0 "[ . 1]"
188 . 1 154 LYS N 1 154 LYS CA 1 154 LYS C 1 155 ILE N -70.00 -10.00 -39.93 -50.14 -35.24 . . 0 "[ . 1]"
189 . 1 155 ILE N 1 155 ILE CA 1 155 ILE C 1 156 TRP N -70.00 -10.00 -51.21 -68.13 -45.03 . . 0 "[ . 1]"
190 . 1 156 TRP N 1 156 TRP CA 1 156 TRP C 1 157 GLY N -70.00 -10.00 -31.71 -31.78 -33.98 . . 0 "[ . 1]"
191 . 1 157 GLY N 1 157 GLY CA 1 157 GLY C 1 158 PHE N -70.00 -10.00 -25.53 -23.83 -24.41 . . 0 "[ . 1]"
192 . 1 158 PHE N 1 158 PHE CA 1 158 PHE C 1 159 PHE N -90.00 10.00 -43.04 -56.79 -9.79 . . 0 "[ . 1]"
193 . 1 166 LYS N 1 166 LYS CA 1 166 LYS C 1 167 LEU N 100.00 160.00 144.13 134.34 124.46 0.62 3 0 "[ . 1]"
194 . 1 167 LEU N 1 167 LEU CA 1 167 LEU C 1 168 THR N 100.00 160.00 131.12 125.63 123.00 . . 0 "[ . 1]"
195 . 1 168 THR N 1 168 THR CA 1 168 THR C 1 169 GLU N 100.00 160.00 161.09 160.39 161.80 1.80 1 0 "[ . 1]"
196 . 1 169 GLU N 1 169 GLU CA 1 169 GLU C 1 170 LYS N -70.00 -10.00 -40.91 -34.03 -35.69 . . 0 "[ . 1]"
197 . 1 170 LYS N 1 170 LYS CA 1 170 LYS C 1 171 GLU N -70.00 -10.00 -63.80 -64.91 -67.93 0.27 6 0 "[ . 1]"
198 . 1 171 GLU N 1 171 GLU CA 1 171 GLU C 1 172 PHE N -70.00 -10.00 -37.65 -44.99 -29.85 . . 0 "[ . 1]"
199 . 1 172 PHE N 1 172 PHE CA 1 172 PHE C 1 173 ILE N -70.00 -10.00 -34.18 -39.93 -27.79 . . 0 "[ . 1]"
200 . 1 173 ILE N 1 173 ILE CA 1 173 ILE C 1 174 GLU N -70.00 -10.00 -30.67 -33.94 -26.47 . . 0 "[ . 1]"
201 . 1 174 GLU N 1 174 GLU CA 1 174 GLU C 1 175 GLY N -70.00 -10.00 -39.65 -44.57 -31.95 . . 0 "[ . 1]"
202 . 1 175 GLY N 1 175 GLY CA 1 175 GLY C 1 176 THR N -70.00 -10.00 -29.61 -39.60 -24.40 . . 0 "[ . 1]"
203 . 1 176 THR N 1 176 THR CA 1 176 THR C 1 177 LEU N -70.00 -10.00 -18.34 -20.57 -21.18 . . 0 "[ . 1]"
204 . 2 3 PHE C 2 4 GLY N 2 4 GLY CA 2 4 GLY C -90.00 -30.00 -87.08 -90.09 -90.21 0.84 8 0 "[ . 1]"
205 . 2 4 GLY C 2 5 SER N 2 5 SER CA 2 5 SER C -90.00 -30.00 -60.87 -55.97 -64.52 . . 0 "[ . 1]"
206 . 2 5 SER C 2 6 LEU N 2 6 LEU CA 2 6 LEU C -90.00 -30.00 -64.12 -64.79 -66.56 . . 0 "[ . 1]"
207 . 2 6 LEU C 2 7 GLU N 2 7 GLU CA 2 7 GLU C -90.00 -30.00 -69.95 -83.20 -60.56 . . 0 "[ . 1]"
208 . 2 7 GLU C 2 8 THR N 2 8 THR CA 2 8 THR C -90.00 -30.00 -70.08 -66.67 -69.97 . . 0 "[ . 1]"
209 . 2 8 THR C 2 9 VAL N 2 9 VAL CA 2 9 VAL C -90.00 -30.00 -80.68 -88.99 -73.76 . . 0 "[ . 1]"
210 . 2 9 VAL C 2 10 VAL N 2 10 VAL CA 2 10 VAL C -90.00 -30.00 -61.72 -41.58 -56.18 . . 0 "[ . 1]"
211 . 2 10 VAL C 2 11 ALA N 2 11 ALA CA 2 11 ALA C -90.00 -30.00 -79.37 -86.33 -62.59 . . 0 "[ . 1]"
212 . 2 11 ALA C 2 12 ASN N 2 12 ASN CA 2 12 ASN C -90.00 -30.00 -64.53 -53.24 -63.38 . . 0 "[ . 1]"
213 . 2 12 ASN C 2 13 SER N 2 13 SER CA 2 13 SER C -90.00 -30.00 -76.33 -78.44 -81.79 . . 0 "[ . 1]"
214 . 2 13 SER C 2 14 ALA N 2 14 ALA CA 2 14 ALA C -90.00 -30.00 -68.36 -85.43 -61.10 . . 0 "[ . 1]"
215 . 2 14 ALA C 2 15 PHE N 2 15 PHE CA 2 15 PHE C -90.00 -30.00 -73.90 -73.71 -80.12 0.86 6 0 "[ . 1]"
216 . 2 4 GLY N 2 4 GLY CA 2 4 GLY C 2 5 SER N -70.00 -10.00 -10.00 -17.33 -6.16 3.84 9 0 "[ . 1]"
217 . 2 5 SER N 2 5 SER CA 2 5 SER C 2 6 LEU N -70.00 -10.00 -35.46 -60.74 -19.57 . . 0 "[ . 1]"
218 . 2 6 LEU N 2 6 LEU CA 2 6 LEU C 2 7 GLU N -70.00 -10.00 -42.62 -50.94 -53.30 . . 0 "[ . 1]"
219 . 2 7 GLU N 2 7 GLU CA 2 7 GLU C 2 8 THR N -70.00 -10.00 -31.80 -24.99 -28.43 . . 0 "[ . 1]"
220 . 2 8 THR N 2 8 THR CA 2 8 THR C 2 9 VAL N -70.00 -10.00 -21.04 -33.26 -12.25 . . 0 "[ . 1]"
221 . 2 9 VAL N 2 9 VAL CA 2 9 VAL C 2 10 VAL N -70.00 -10.00 -55.76 -66.91 -42.67 . . 0 "[ . 1]"
222 . 2 10 VAL N 2 10 VAL CA 2 10 VAL C 2 11 ALA N -70.00 -10.00 -35.74 -33.60 -37.07 . . 0 "[ . 1]"
223 . 2 11 ALA N 2 11 ALA CA 2 11 ALA C 2 12 ASN N -70.00 -10.00 -48.32 -64.73 -29.88 . . 0 "[ . 1]"
224 . 2 12 ASN N 2 12 ASN CA 2 12 ASN C 2 13 SER N -70.00 -10.00 -24.91 -36.79 -18.10 . . 0 "[ . 1]"
225 . 2 13 SER N 2 13 SER CA 2 13 SER C 2 14 ALA N -70.00 -10.00 -53.63 -62.27 -38.98 . . 0 "[ . 1]"
226 . 2 14 ALA N 2 14 ALA CA 2 14 ALA C 2 15 PHE N -70.00 -10.00 -14.56 -9.53 -10.45 2.20 5 0 "[ . 1]"
227 . 2 15 PHE N 2 15 PHE CA 2 15 PHE C 2 16 ILE N -70.00 -10.00 -64.82 -64.78 -67.86 1.34 5 0 "[ . 1]"
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