NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
558541 |
2m4m   |
19013 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m4m
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 108
_TA_constraint_stats_list.Viol_count 211
_TA_constraint_stats_list.Viol_total 5945.99
_TA_constraint_stats_list.Viol_max 9.12
_TA_constraint_stats_list.Viol_rms 0.59
_TA_constraint_stats_list.Viol_average_all_restraints 0.14
_TA_constraint_stats_list.Viol_average_violations_only 1.41
_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 10 GLY C 1 11 ASN N 1 11 ASN CA 1 11 ASN C -120.00 -60.00 -102.29 -108.68 -117.00 0.53 1 0 "[ . 1 . 2]"
2 . 1 11 ASN N 1 11 ASN CA 1 11 ASN C 1 12 ALA N -38.00 22.00 9.85 -38.74 22.98 0.98 6 0 "[ . 1 . 2]"
3 . 1 11 ASN C 1 12 ALA N 1 12 ALA CA 1 12 ALA C 166.50 -66.50 -107.13 -128.89 -135.26 . . 0 "[ . 1 . 2]"
4 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 VAL N 129.50 -170.50 138.41 141.74 140.34 0.09 3 0 "[ . 1 . 2]"
5 . 1 12 ALA C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -165.40 -105.40 -124.44 -123.36 -123.45 . . 0 "[ . 1 . 2]"
6 . 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 VAL N 133.10 -166.90 159.18 153.97 164.97 . . 0 "[ . 1 . 2]"
7 . 1 13 VAL C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -151.50 -91.50 -110.83 -118.29 -99.54 . . 0 "[ . 1 . 2]"
8 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 VAL N 95.80 155.80 118.82 111.55 128.38 . . 0 "[ . 1 . 2]"
9 . 1 14 VAL C 1 15 VAL N 1 15 VAL CA 1 15 VAL C -146.00 -86.00 -109.08 -117.65 -99.74 . . 0 "[ . 1 . 2]"
10 . 1 15 VAL N 1 15 VAL CA 1 15 VAL C 1 16 PHE N 107.70 167.70 128.64 127.21 126.60 . . 0 "[ . 1 . 2]"
11 . 1 15 VAL C 1 16 PHE N 1 16 PHE CA 1 16 PHE C -157.00 -97.00 -142.26 -147.76 -134.63 . . 0 "[ . 1 . 2]"
12 . 1 16 PHE N 1 16 PHE CA 1 16 PHE C 1 17 GLY N 123.40 -176.60 164.88 155.12 173.34 . . 0 "[ . 1 . 2]"
13 . 1 22 ILE C 1 23 THR N 1 23 THR CA 1 23 THR C -84.00 -24.00 -53.62 -51.50 -57.47 . . 0 "[ . 1 . 2]"
14 . 1 23 THR N 1 23 THR CA 1 23 THR C 1 24 LYS N -78.00 -18.00 -56.32 -76.68 -44.04 . . 0 "[ . 1 . 2]"
15 . 1 23 THR C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -89.00 -29.00 -59.29 -58.74 -59.95 . . 0 "[ . 1 . 2]"
16 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 GLN N -73.00 -13.00 -34.68 -37.46 -37.72 . . 0 "[ . 1 . 2]"
17 . 1 24 LYS C 1 25 GLN N 1 25 GLN CA 1 25 GLN C -93.00 -33.00 -69.60 -66.61 -70.81 0.02 6 0 "[ . 1 . 2]"
18 . 1 25 GLN N 1 25 GLN CA 1 25 GLN C 1 26 ILE N -74.00 -14.00 -63.29 -71.59 -48.55 . . 0 "[ . 1 . 2]"
19 . 1 25 GLN C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -97.00 -37.00 -69.18 -96.49 -64.28 . . 0 "[ . 1 . 2]"
20 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 LEU N -70.70 -10.70 -30.01 -33.50 -36.28 . . 0 "[ . 1 . 2]"
21 . 1 26 ILE C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -90.70 -30.70 -61.77 -62.70 -63.02 . . 0 "[ . 1 . 2]"
22 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 ALA N -72.70 -12.70 -39.44 -46.49 -29.73 . . 0 "[ . 1 . 2]"
23 . 1 27 LEU C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -92.40 -32.40 -58.83 -52.92 -53.95 . . 0 "[ . 1 . 2]"
24 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 TYR N -72.10 -12.10 -30.83 -37.59 -42.76 . . 0 "[ . 1 . 2]"
25 . 1 28 ALA C 1 29 TYR N 1 29 TYR CA 1 29 TYR C -94.00 -34.00 -87.68 -94.78 -63.46 0.78 11 0 "[ . 1 . 2]"
26 . 1 29 TYR N 1 29 TYR CA 1 29 TYR C 1 30 PHE N -76.00 -16.00 -48.95 -46.35 -46.83 . . 0 "[ . 1 . 2]"
27 . 1 29 TYR C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -93.00 -33.00 -86.14 -94.94 -69.35 1.94 20 0 "[ . 1 . 2]"
28 . 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 ALA N -70.00 -10.00 -10.55 -37.68 -0.88 9.12 6 4 "[ .+ * * -2]"
29 . 1 30 PHE C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -93.00 -33.00 -59.50 -79.68 -38.19 . . 0 "[ . 1 . 2]"
30 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 GLN N -65.00 -5.00 -18.26 -19.75 -23.46 1.26 9 0 "[ . 1 . 2]"
31 . 1 67 SER C 1 68 ARG N 1 68 ARG CA 1 68 ARG C -143.00 -83.00 -112.31 -143.36 -80.93 2.07 10 0 "[ . 1 . 2]"
32 . 1 68 ARG N 1 68 ARG CA 1 68 ARG C 1 69 GLU N 96.00 156.00 150.27 152.07 151.18 3.40 12 0 "[ . 1 . 2]"
33 . 1 68 ARG C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -135.60 -75.60 -75.48 -73.02 -73.71 3.86 12 0 "[ . 1 . 2]"
34 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 HIS N 104.60 164.60 137.39 111.20 162.70 . . 0 "[ . 1 . 2]"
35 . 1 69 GLU C 1 70 HIS N 1 70 HIS CA 1 70 HIS C -167.00 -107.00 -137.34 -158.16 -105.78 1.22 14 0 "[ . 1 . 2]"
36 . 1 70 HIS N 1 70 HIS CA 1 70 HIS C 1 71 GLY N 122.00 -178.00 156.07 125.15 -177.88 0.12 11 0 "[ . 1 . 2]"
37 . 1 73 THR C 1 74 TRP N 1 74 TRP CA 1 74 TRP C -146.40 -86.40 -135.87 -113.08 -128.56 0.65 4 0 "[ . 1 . 2]"
38 . 1 74 TRP N 1 74 TRP CA 1 74 TRP C 1 75 THR N 126.90 -173.10 143.59 129.53 152.54 . . 0 "[ . 1 . 2]"
39 . 1 74 TRP C 1 75 THR N 1 75 THR CA 1 75 THR C -142.00 -82.00 -136.17 -137.94 -142.19 2.66 18 0 "[ . 1 . 2]"
40 . 1 75 THR N 1 75 THR CA 1 75 THR C 1 76 LYS N 86.20 146.20 136.02 120.92 148.50 2.30 18 0 "[ . 1 . 2]"
41 . 1 75 THR C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -141.00 -81.00 -92.59 -88.29 -90.91 . . 0 "[ . 1 . 2]"
42 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 LEU N 104.30 164.30 116.38 113.73 108.83 1.13 20 0 "[ . 1 . 2]"
43 . 1 76 LYS C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -153.60 -93.60 -107.52 -126.77 -92.77 0.83 10 0 "[ . 1 . 2]"
44 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 THR N 96.30 156.30 125.27 108.06 154.99 . . 0 "[ . 1 . 2]"
45 . 1 77 LEU C 1 78 THR N 1 78 THR CA 1 78 THR C -109.80 -49.80 -108.75 -110.47 -110.60 4.57 19 0 "[ . 1 . 2]"
46 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 TYR N 97.80 157.80 112.28 95.73 126.32 2.07 5 0 "[ . 1 . 2]"
47 . 1 78 THR C 1 79 TYR N 1 79 TYR CA 1 79 TYR C -114.00 -54.00 -93.61 -108.45 -109.03 . . 0 "[ . 1 . 2]"
48 . 1 79 TYR N 1 79 TYR CA 1 79 TYR C 1 80 ALA N -49.40 10.60 -14.43 -4.20 -7.42 . . 0 "[ . 1 . 2]"
49 . 1 81 ASN C 1 82 HIS N 1 82 HIS CA 1 82 HIS C -93.50 -33.50 -75.42 -93.90 -64.87 0.40 8 0 "[ . 1 . 2]"
50 . 1 82 HIS N 1 82 HIS CA 1 82 HIS C 1 83 SER N -66.30 -6.30 -26.60 -27.64 -32.27 . . 0 "[ . 1 . 2]"
51 . 1 82 HIS C 1 83 SER N 1 83 SER CA 1 83 SER C -93.00 -33.00 -60.84 -63.44 -58.13 . . 0 "[ . 1 . 2]"
52 . 1 83 SER N 1 83 SER CA 1 83 SER C 1 84 SER N -71.20 -11.20 -45.85 -41.50 -43.88 . . 0 "[ . 1 . 2]"
53 . 1 83 SER C 1 84 SER N 1 84 SER CA 1 84 SER C -92.90 -32.90 -75.53 -93.20 -65.46 0.30 12 0 "[ . 1 . 2]"
54 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 TYR N -71.70 -11.70 -23.82 -25.00 -29.08 . . 0 "[ . 1 . 2]"
55 . 1 84 SER C 1 85 TYR N 1 85 TYR CA 1 85 TYR C -92.70 -32.70 -59.74 -62.33 -57.28 . . 0 "[ . 1 . 2]"
56 . 1 85 TYR N 1 85 TYR CA 1 85 TYR C 1 86 LEU N -74.50 -14.50 -48.81 -47.52 -48.05 . . 0 "[ . 1 . 2]"
57 . 1 85 TYR C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -88.80 -28.80 -65.56 -65.16 -66.18 . . 0 "[ . 1 . 2]"
58 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 ARG N -72.90 -12.90 -39.09 -43.92 -27.05 . . 0 "[ . 1 . 2]"
59 . 1 86 LEU C 1 87 ARG N 1 87 ARG CA 1 87 ARG C -94.80 -34.80 -66.69 -79.80 -59.96 . . 0 "[ . 1 . 2]"
60 . 1 87 ARG N 1 87 ARG CA 1 87 ARG C 1 88 ALA N -70.20 -10.20 -30.94 -43.59 -9.83 0.37 6 0 "[ . 1 . 2]"
61 . 1 87 ARG C 1 88 ALA N 1 88 ALA CA 1 88 ALA C -92.90 -32.90 -77.16 -77.51 -78.68 0.29 4 0 "[ . 1 . 2]"
62 . 1 88 ALA N 1 88 ALA CA 1 88 ALA C 1 89 LEU N -74.30 -14.30 -14.26 -13.63 -13.78 4.09 6 0 "[ . 1 . 2]"
63 . 1 88 ALA C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -89.00 -29.00 -70.86 -83.04 -58.43 . . 0 "[ . 1 . 2]"
64 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 ARG N -68.80 -8.80 -13.02 -8.13 -39.83 6.10 7 2 "[ - + 1 . 2]"
65 . 1 94 THR C 1 95 ILE N 1 95 ILE CA 1 95 ILE C -131.00 -71.00 -104.09 -116.01 -74.24 . . 0 "[ . 1 . 2]"
66 . 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1 96 TYR N 98.00 158.00 122.74 125.52 124.29 . . 0 "[ . 1 . 2]"
67 . 1 95 ILE C 1 96 TYR N 1 96 TYR CA 1 96 TYR C -151.20 -91.20 -130.64 -142.54 -111.09 . . 0 "[ . 1 . 2]"
68 . 1 96 TYR N 1 96 TYR CA 1 96 TYR C 1 97 CYS N 90.80 150.80 132.30 131.71 129.13 . . 0 "[ . 1 . 2]"
69 . 1 98 GLY C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -145.00 -85.00 -134.21 -145.43 -111.47 0.43 11 0 "[ . 1 . 2]"
70 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 ALA N 109.00 169.00 151.64 148.41 146.87 . . 0 "[ . 1 . 2]"
71 . 1 99 ALA C 1 100 ALA N 1 100 ALA CA 1 100 ALA C -123.00 -63.00 -80.44 -96.44 -69.94 . . 0 "[ . 1 . 2]"
72 . 1 100 ALA N 1 100 ALA CA 1 100 ALA C 1 101 ILE N 98.00 158.00 133.95 110.04 152.43 . . 0 "[ . 1 . 2]"
73 . 1 100 ALA C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -145.00 -85.00 -89.69 -84.99 -85.47 2.06 17 0 "[ . 1 . 2]"
74 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C 1 102 GLY N 104.00 164.00 137.13 119.73 164.38 0.38 5 0 "[ . 1 . 2]"
75 . 1 101 ILE C 1 102 GLY N 1 102 GLY CA 1 102 GLY C -160.00 -100.00 -107.87 -101.26 -105.60 1.67 6 0 "[ . 1 . 2]"
76 . 1 102 GLY N 1 102 GLY CA 1 102 GLY C 1 103 CYS N 100.00 160.00 123.81 115.67 111.94 0.40 8 0 "[ . 1 . 2]"
77 . 1 102 GLY C 1 103 CYS N 1 103 CYS CA 1 103 CYS C -161.00 -41.00 -125.04 -143.33 -104.88 . . 0 "[ . 1 . 2]"
78 . 1 103 CYS N 1 103 CYS CA 1 103 CYS C 1 104 VAL N 101.00 161.00 115.72 117.76 111.80 0.20 16 0 "[ . 1 . 2]"
79 . 1 107 LYS C 1 108 HIS N 1 108 HIS CA 1 108 HIS C -86.00 -26.00 -64.23 -61.09 -63.89 . . 0 "[ . 1 . 2]"
80 . 1 108 HIS N 1 108 HIS CA 1 108 HIS C 1 109 GLU N -69.00 -9.00 -41.48 -41.45 -42.42 . . 0 "[ . 1 . 2]"
81 . 1 108 HIS C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -89.90 -29.90 -66.18 -63.84 -64.77 . . 0 "[ . 1 . 2]"
82 . 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 LEU N -69.30 -9.30 -37.06 -44.45 -28.33 . . 0 "[ . 1 . 2]"
83 . 1 109 GLU C 1 110 LEU N 1 110 LEU CA 1 110 LEU C -96.30 -36.30 -61.62 -63.36 -58.88 . . 0 "[ . 1 . 2]"
84 . 1 110 LEU N 1 110 LEU CA 1 110 LEU C 1 111 ILE N -67.50 -7.50 -42.75 -47.79 -36.59 . . 0 "[ . 1 . 2]"
85 . 1 110 LEU C 1 111 ILE N 1 111 ILE CA 1 111 ILE C -94.30 -34.30 -62.38 -64.99 -60.99 . . 0 "[ . 1 . 2]"
86 . 1 111 ILE N 1 111 ILE CA 1 111 ILE C 1 112 SER N -63.10 -3.10 -43.30 -43.04 -43.15 . . 0 "[ . 1 . 2]"
87 . 1 111 ILE C 1 112 SER N 1 112 SER CA 1 112 SER C -93.30 -33.30 -60.85 -65.10 -58.26 . . 0 "[ . 1 . 2]"
88 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 GLU N -71.00 -11.00 -43.60 -48.84 -39.33 . . 0 "[ . 1 . 2]"
89 . 1 112 SER C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -95.50 -35.50 -64.46 -65.90 -66.53 . . 0 "[ . 1 . 2]"
90 . 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 LEU N -71.80 -11.80 -44.26 -41.13 -42.64 . . 0 "[ . 1 . 2]"
91 . 1 113 GLU C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -92.70 -32.70 -65.56 -88.83 -62.41 . . 0 "[ . 1 . 2]"
92 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 SER N -62.60 -2.60 -37.62 -38.92 -39.96 . . 0 "[ . 1 . 2]"
93 . 1 114 LEU C 1 115 SER N 1 115 SER CA 1 115 SER C -97.30 -37.30 -70.66 -86.21 -60.56 . . 0 "[ . 1 . 2]"
94 . 1 115 SER N 1 115 SER CA 1 115 SER C 1 116 ARG N -59.40 0.60 -27.34 -8.82 -14.66 1.61 12 0 "[ . 1 . 2]"
95 . 1 115 SER C 1 116 ARG N 1 116 ARG CA 1 116 ARG C -112.00 -52.00 -70.95 -58.33 -62.60 . . 0 "[ . 1 . 2]"
96 . 1 116 ARG N 1 116 ARG CA 1 116 ARG C 1 117 GLU N -53.00 7.00 -29.41 -45.10 -47.99 0.08 6 0 "[ . 1 . 2]"
97 . 1 16 PHE CA 1 16 PHE CB 1 16 PHE CG 1 16 PHE CD1 80.00 100.00 89.00 87.43 86.80 . . 0 "[ . 1 . 2]"
98 . 1 30 PHE CA 1 30 PHE CB 1 30 PHE CG 1 30 PHE CD1 80.00 100.00 91.02 83.23 97.74 . . 0 "[ . 1 . 2]"
99 . 1 33 PHE CA 1 33 PHE CB 1 33 PHE CG 1 33 PHE CD1 80.00 100.00 92.93 79.01 100.80 0.99 8 0 "[ . 1 . 2]"
100 . 1 56 PHE CA 1 56 PHE CB 1 56 PHE CG 1 56 PHE CD1 80.00 100.00 92.93 78.67 101.07 1.33 11 0 "[ . 1 . 2]"
101 . 1 57 PHE CA 1 57 PHE CB 1 57 PHE CG 1 57 PHE CD1 80.00 100.00 99.36 92.22 102.24 2.24 1 0 "[ . 1 . 2]"
102 . 1 18 TYR CA 1 18 TYR CB 1 18 TYR CG 1 18 TYR CD1 80.00 100.00 87.87 92.90 91.55 1.32 17 0 "[ . 1 . 2]"
103 . 1 29 TYR CA 1 29 TYR CB 1 29 TYR CG 1 29 TYR CD1 80.00 100.00 84.50 78.69 95.94 1.31 17 0 "[ . 1 . 2]"
104 . 1 55 TYR CA 1 55 TYR CB 1 55 TYR CG 1 55 TYR CD1 80.00 100.00 88.16 76.35 97.65 3.65 5 0 "[ . 1 . 2]"
105 . 1 79 TYR CA 1 79 TYR CB 1 79 TYR CG 1 79 TYR CD1 80.00 100.00 97.82 84.97 102.13 2.13 16 0 "[ . 1 . 2]"
106 . 1 85 TYR CA 1 85 TYR CB 1 85 TYR CG 1 85 TYR CD1 80.00 100.00 84.74 78.88 94.37 1.12 11 0 "[ . 1 . 2]"
107 . 1 96 TYR CA 1 96 TYR CB 1 96 TYR CG 1 96 TYR CD1 80.00 100.00 91.14 85.86 82.88 2.20 17 0 "[ . 1 . 2]"
108 . 1 106 TYR CA 1 106 TYR CB 1 106 TYR CG 1 106 TYR CD1 80.00 100.00 84.09 84.24 82.78 1.73 12 0 "[ . 1 . 2]"
stop_
save_
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