Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610046 | 5k5g RC | 30099 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5k5g
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 32
_TA_constraint_stats_list.Viol_count 98
_TA_constraint_stats_list.Viol_total 2628.96
_TA_constraint_stats_list.Viol_max 9.57
_TA_constraint_stats_list.Viol_rms 1.79
_TA_constraint_stats_list.Viol_average_all_restraints 0.82
_TA_constraint_stats_list.Viol_average_violations_only 2.68
_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 11 ARG C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -170.00 -70.40 -110.43 -122.03 -126.66 1.43 6 0 "[ . 1]"
2 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 ALA N 100.00 178.80 168.72 168.82 166.66 3.89 3 0 "[ . 1]"
3 . 1 12 LEU C 1 13 ALA N 1 13 ALA CA 1 13 ALA C -160.00 -71.16 -121.97 -136.43 -106.01 . . 0 "[ . 1]"
4 . 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 ASN N 100.00 161.92 131.41 124.21 118.76 . . 0 "[ . 1]"
5 . 1 13 ALA C 1 14 ASN N 1 14 ASN CA 1 14 ASN C -160.00 -70.64 -94.46 -115.03 -70.29 0.35 1 0 "[ . 1]"
6 . 1 14 ASN N 1 14 ASN CA 1 14 ASN C 1 15 PHE N 100.00 150.92 149.81 148.09 138.28 1.85 10 0 "[ . 1]"
7 . 1 14 ASN C 1 15 PHE N 1 15 PHE CA 1 15 PHE C -160.00 -108.44 -106.81 -107.89 -105.44 3.00 10 0 "[ . 1]"
8 . 1 15 PHE N 1 15 PHE CA 1 15 PHE C 1 16 LEU N 100.00 170.34 105.92 98.19 122.62 1.81 4 0 "[ . 1]"
9 . 1 15 PHE C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -170.00 -99.38 -108.23 -106.60 -111.46 0.15 7 0 "[ . 1]"
10 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 VAL N 120.00 -171.16 162.35 162.97 161.83 . . 0 "[ . 1]"
11 . 1 16 LEU C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -150.00 -98.88 -150.00 -149.83 -150.15 0.70 5 0 "[ . 1]"
12 . 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 HIS N 100.00 165.22 129.71 128.58 127.74 . . 0 "[ . 1]"
13 . 1 17 VAL C 1 18 HIS N 1 18 HIS CA 1 18 HIS C -150.00 -65.80 -76.35 -82.53 -68.05 . . 0 "[ . 1]"
14 . 1 18 HIS N 1 18 HIS CA 1 18 HIS C 1 19 SER N 90.00 154.88 111.00 102.16 124.93 . . 0 "[ . 1]"
15 . 1 18 HIS C 1 19 SER N 1 19 SER CA 1 19 SER C -100.00 -10.84 -41.29 -53.50 -31.36 . . 0 "[ . 1]"
16 . 1 19 SER N 1 19 SER CA 1 19 SER C 1 20 SER N -50.00 0.26 -34.28 -26.15 -28.51 0.99 10 0 "[ . 1]"
17 . 1 19 SER C 1 20 SER N 1 20 SER CA 1 20 SER C -90.00 -40.08 -75.28 -66.71 -69.78 . . 0 "[ . 1]"
18 . 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 ASN N -50.00 0.10 -56.14 -58.63 -53.66 8.63 3 8 "[**+**- **]"
19 . 1 20 SER C 1 21 ASN N 1 21 ASN CA 1 21 ASN C -130.00 -52.42 -136.37 -139.57 -134.69 9.57 3 7 "[**+** * -]"
20 . 1 21 ASN N 1 21 ASN CA 1 21 ASN C 1 22 ASN N -30.00 21.46 -32.08 -31.66 -32.14 4.17 8 0 "[ . 1]"
21 . 1 21 ASN C 1 22 ASN N 1 22 ASN CA 1 22 ASN C -140.00 -28.90 -107.67 -132.78 -90.16 . . 0 "[ . 1]"
22 . 1 22 ASN N 1 22 ASN CA 1 22 ASN C 1 23 PHE N 90.00 163.52 111.23 130.41 122.38 0.94 9 0 "[ . 1]"
23 . 1 22 ASN C 1 23 PHE N 1 23 PHE CA 1 23 PHE C -160.00 -35.18 -90.67 -95.33 -97.46 . . 0 "[ . 1]"
24 . 1 23 PHE N 1 23 PHE CA 1 23 PHE C 1 24 GLY N 100.00 -171.32 142.12 145.04 144.02 . . 0 "[ . 1]"
25 . 1 24 GLY C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -170.00 -112.86 -140.77 -145.43 -136.25 . . 0 "[ . 1]"
26 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 ILE N 120.00 -176.70 165.74 162.93 171.77 . . 0 "[ . 1]"
27 . 1 25 ALA C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -160.00 -96.54 -160.97 -161.39 -161.77 1.77 1 0 "[ . 1]"
28 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 LEU N 110.00 165.24 133.52 138.50 135.97 . . 0 "[ . 1]"
29 . 1 26 ILE C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -140.00 -89.84 -87.49 -88.78 -85.43 4.41 1 0 "[ . 1]"
30 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 SER N 100.00 150.04 154.43 153.55 151.41 6.42 6 2 "[ .+- 1]"
31 . 1 27 LEU C 1 28 SER N 1 28 SER CA 1 28 SER C -150.00 -64.34 -141.10 -143.55 -147.10 0.59 5 0 "[ . 1]"
32 . 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 SER N 90.00 147.96 132.69 146.00 139.92 1.02 7 0 "[ . 1]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 154
_TA_constraint_stats_list.Viol_count 78
_TA_constraint_stats_list.Viol_total 1350.50
_TA_constraint_stats_list.Viol_max 5.69
_TA_constraint_stats_list.Viol_rms 0.51
_TA_constraint_stats_list.Viol_average_all_restraints 0.09
_TA_constraint_stats_list.Viol_average_violations_only 1.73
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 . 2 24 GLY C 2 25 GLU N 2 25 GLU CA 2 25 GLU C -180.00 -82.48 -100.67 -129.44 -81.76 0.72 6 0 "[ . 1]"
2 . 2 25 GLU N 2 25 GLU CA 2 25 GLU C 2 26 ILE N 110.00 -162.78 159.19 146.92 179.88 . . 0 "[ . 1]"
3 . 2 25 GLU C 2 26 ILE N 2 26 ILE CA 2 26 ILE C -150.00 -71.10 -102.45 -98.63 -102.30 . . 0 "[ . 1]"
4 . 2 26 ILE N 2 26 ILE CA 2 26 ILE C 2 27 VAL N 100.00 154.80 106.93 105.50 104.25 0.21 1 0 "[ . 1]"
5 . 2 26 ILE C 2 27 VAL N 2 27 VAL CA 2 27 VAL C -150.00 -73.78 -96.16 -100.35 -88.91 . . 0 "[ . 1]"
6 . 2 27 VAL N 2 27 VAL CA 2 27 VAL C 2 28 TYR N 90.00 159.84 124.85 115.20 129.67 . . 0 "[ . 1]"
7 . 2 27 VAL C 2 28 TYR N 2 28 TYR CA 2 28 TYR C -140.00 -68.56 -88.84 -88.38 -89.19 . . 0 "[ . 1]"
8 . 2 28 TYR N 2 28 TYR CA 2 28 TYR C 2 29 LEU N 90.00 160.42 114.26 114.96 113.55 . . 0 "[ . 1]"
9 . 2 28 TYR C 2 29 LEU N 2 29 LEU CA 2 29 LEU C -160.00 6.00 -113.53 -113.69 -123.01 . . 0 "[ . 1]"
10 . 2 29 LEU N 2 29 LEU CA 2 29 LEU C 2 30 PRO N 90.00 -141.82 87.59 89.32 87.47 5.40 8 1 "[ . + 1]"
11 . 2 29 LEU C 2 30 PRO N 2 30 PRO CA 2 30 PRO C -90.00 -24.24 -89.32 -89.51 -90.11 2.32 8 0 "[ . 1]"
12 . 2 30 PRO N 2 30 PRO CA 2 30 PRO C 2 31 ASN N -50.00 4.06 -17.52 -29.24 -6.60 . . 0 "[ . 1]"
13 . 2 30 PRO C 2 31 ASN N 2 31 ASN CA 2 31 ASN C -120.00 -51.84 -96.61 -105.96 -88.50 . . 0 "[ . 1]"
14 . 2 31 ASN N 2 31 ASN CA 2 31 ASN C 2 32 LEU N -40.00 34.26 7.67 10.71 9.89 . . 0 "[ . 1]"
15 . 2 31 ASN C 2 32 LEU N 2 32 LEU CA 2 32 LEU C -100.00 -32.24 -73.99 -76.50 -81.16 . . 0 "[ . 1]"
16 . 2 32 LEU N 2 32 LEU CA 2 32 LEU C 2 33 ASN N 110.00 -179.94 154.12 135.34 168.99 . . 0 "[ . 1]"
17 . 2 32 LEU C 2 33 ASN N 2 33 ASN CA 2 33 ASN C -100.00 -42.88 -80.89 -80.77 -82.82 . . 0 "[ . 1]"
18 . 2 33 ASN N 2 33 ASN CA 2 33 ASN C 2 34 PRO N 120.00 -176.98 141.50 123.62 155.76 . . 0 "[ . 1]"
19 . 2 33 ASN C 2 34 PRO N 2 34 PRO CA 2 34 PRO C -70.00 -39.98 -46.87 -52.37 -39.07 0.91 9 0 "[ . 1]"
20 . 2 34 PRO N 2 34 PRO CA 2 34 PRO C 2 35 ASP N -60.00 -10.00 -45.68 -53.50 -38.10 . . 0 "[ . 1]"
21 . 2 34 PRO C 2 35 ASP N 2 35 ASP CA 2 35 ASP C -90.00 -39.70 -62.17 -59.48 -64.99 . . 0 "[ . 1]"
22 . 2 35 ASP N 2 35 ASP CA 2 35 ASP C 2 36 GLN N -70.00 -11.90 -38.04 -45.72 -23.36 . . 0 "[ . 1]"
23 . 2 35 ASP C 2 36 GLN N 2 36 GLN CA 2 36 GLN C -90.00 -36.72 -70.85 -80.87 -60.95 . . 0 "[ . 1]"
24 . 2 36 GLN N 2 36 GLN CA 2 36 GLN C 2 37 LEU N -70.00 -13.06 -33.73 -31.27 -36.26 0.02 6 0 "[ . 1]"
25 . 2 36 GLN C 2 37 LEU N 2 37 LEU CA 2 37 LEU C -90.00 -38.96 -60.33 -62.99 -55.97 . . 0 "[ . 1]"
26 . 2 37 LEU N 2 37 LEU CA 2 37 LEU C 2 38 CYS N -70.00 -19.62 -45.04 -52.38 -40.11 . . 0 "[ . 1]"
27 . 2 37 LEU C 2 38 CYS N 2 38 CYS CA 2 38 CYS C -90.00 -38.56 -56.50 -59.84 -53.88 . . 0 "[ . 1]"
28 . 2 38 CYS N 2 38 CYS CA 2 38 CYS C 2 39 ALA N -70.00 -12.72 -41.59 -39.84 -42.27 . . 0 "[ . 1]"
29 . 2 38 CYS C 2 39 ALA N 2 39 ALA CA 2 39 ALA C -80.00 -49.00 -68.47 -66.06 -71.06 . . 0 "[ . 1]"
30 . 2 39 ALA N 2 39 ALA CA 2 39 ALA C 2 40 PHE N -70.00 -15.40 -48.96 -48.06 -48.08 . . 0 "[ . 1]"
31 . 2 39 ALA C 2 40 PHE N 2 40 PHE CA 2 40 PHE C -90.00 -40.00 -63.96 -70.54 -58.96 . . 0 "[ . 1]"
32 . 2 40 PHE N 2 40 PHE CA 2 40 PHE C 2 41 ILE N -70.00 -19.86 -47.35 -47.58 -47.92 . . 0 "[ . 1]"
33 . 2 40 PHE C 2 41 ILE N 2 41 ILE CA 2 41 ILE C -80.00 -49.42 -64.68 -61.20 -64.62 . . 0 "[ . 1]"
34 . 2 41 ILE N 2 41 ILE CA 2 41 ILE C 2 42 HIS N -70.00 -12.26 -35.47 -28.29 -32.09 . . 0 "[ . 1]"
35 . 2 41 ILE C 2 42 HIS N 2 42 HIS CA 2 42 HIS C -90.00 -37.78 -64.69 -70.04 -60.69 . . 0 "[ . 1]"
36 . 2 42 HIS N 2 42 HIS CA 2 42 HIS C 2 43 SER N -70.00 -17.84 -39.97 -51.54 -34.22 . . 0 "[ . 1]"
37 . 2 42 HIS C 2 43 SER N 2 43 SER CA 2 43 SER C -90.00 -39.94 -71.34 -77.20 -68.19 . . 0 "[ . 1]"
38 . 2 43 SER N 2 43 SER CA 2 43 SER C 2 44 ILE N -70.00 -18.30 -26.26 -19.63 -22.57 0.34 2 0 "[ . 1]"
39 . 2 43 SER C 2 44 ILE N 2 44 ILE CA 2 44 ILE C -90.00 -40.00 -68.97 -70.85 -74.01 . . 0 "[ . 1]"
40 . 2 44 ILE N 2 44 ILE CA 2 44 ILE C 2 45 HIS N -60.00 -29.72 -45.60 -59.69 -36.69 . . 0 "[ . 1]"
41 . 2 44 ILE C 2 45 HIS N 2 45 HIS CA 2 45 HIS C -80.00 -45.06 -73.39 -63.00 -70.19 . . 0 "[ . 1]"
42 . 2 45 HIS N 2 45 HIS CA 2 45 HIS C 2 46 ASP N -70.00 -19.28 -34.87 -48.76 -27.48 . . 0 "[ . 1]"
43 . 2 45 HIS C 2 46 ASP N 2 46 ASP CA 2 46 ASP C -90.00 -40.02 -80.98 -91.42 -71.91 1.42 2 0 "[ . 1]"
44 . 2 46 ASP N 2 46 ASP CA 2 46 ASP C 2 47 ASP N -60.00 9.02 -37.47 -6.28 -36.73 . . 0 "[ . 1]"
45 . 2 47 ASP C 2 48 PRO N 2 48 PRO CA 2 48 PRO C -90.00 -22.28 -74.38 -79.32 -66.93 . . 0 "[ . 1]"
46 . 2 48 PRO N 2 48 PRO CA 2 48 PRO C 2 49 SER N -60.00 10.90 -16.62 -20.79 -25.83 . . 0 "[ . 1]"
47 . 2 48 PRO C 2 49 SER N 2 49 SER CA 2 49 SER C -90.00 -40.00 -77.46 -85.91 -70.11 . . 0 "[ . 1]"
48 . 2 49 SER N 2 49 SER CA 2 49 SER C 2 50 GLN N -40.00 9.98 -35.17 -42.29 -28.18 2.29 3 0 "[ . 1]"
49 . 2 49 SER C 2 50 GLN N 2 50 GLN CA 2 50 GLN C -90.00 -39.80 -84.29 -91.02 -79.48 1.02 2 0 "[ . 1]"
50 . 2 50 GLN N 2 50 GLN CA 2 50 GLN C 2 51 SER N -70.00 -8.80 -5.13 -5.04 -5.53 5.69 9 2 "[ . - +1]"
51 . 2 50 GLN C 2 51 SER N 2 51 SER CA 2 51 SER C -90.00 -39.34 -39.49 -38.88 -41.40 1.07 3 0 "[ . 1]"
52 . 2 51 SER N 2 51 SER CA 2 51 SER C 2 52 ALA N -70.00 -9.94 -42.32 -46.74 -38.36 . . 0 "[ . 1]"
53 . 2 51 SER C 2 52 ALA N 2 52 ALA CA 2 52 ALA C -90.00 -38.48 -53.03 -56.03 -49.77 . . 0 "[ . 1]"
54 . 2 52 ALA N 2 52 ALA CA 2 52 ALA C 2 53 ASN N -70.00 -19.02 -40.11 -38.24 -40.08 . . 0 "[ . 1]"
55 . 2 52 ALA C 2 53 ASN N 2 53 ASN CA 2 53 ASN C -90.00 -39.76 -81.46 -84.51 -78.90 . . 0 "[ . 1]"
56 . 2 53 ASN N 2 53 ASN CA 2 53 ASN C 2 54 LEU N -70.00 -19.64 -36.79 -36.87 -37.41 . . 0 "[ . 1]"
57 . 2 53 ASN C 2 54 LEU N 2 54 LEU CA 2 54 LEU C -80.00 -49.90 -62.29 -61.84 -63.22 . . 0 "[ . 1]"
58 . 2 54 LEU N 2 54 LEU CA 2 54 LEU C 2 55 LEU N -60.00 -29.22 -38.54 -38.23 -39.01 . . 0 "[ . 1]"
59 . 2 54 LEU C 2 55 LEU N 2 55 LEU CA 2 55 LEU C -90.00 -31.72 -85.32 -87.56 -83.33 . . 0 "[ . 1]"
60 . 2 55 LEU N 2 55 LEU CA 2 55 LEU C 2 56 ALA N -70.00 -16.96 -17.44 -16.99 -17.67 1.13 2 0 "[ . 1]"
61 . 2 55 LEU C 2 56 ALA N 2 56 ALA CA 2 56 ALA C -90.00 -39.86 -62.38 -65.01 -59.03 . . 0 "[ . 1]"
62 . 2 56 ALA N 2 56 ALA CA 2 56 ALA C 2 57 GLU N -60.00 -16.06 -43.63 -43.69 -44.29 . . 0 "[ . 1]"
63 . 2 56 ALA C 2 57 GLU N 2 57 GLU CA 2 57 GLU C -90.00 -39.80 -60.09 -59.62 -61.11 . . 0 "[ . 1]"
64 . 2 57 GLU N 2 57 GLU CA 2 57 GLU C 2 58 ALA N -60.00 -28.98 -47.43 -46.03 -47.85 . . 0 "[ . 1]"
65 . 2 57 GLU C 2 58 ALA N 2 58 ALA CA 2 58 ALA C -90.00 -39.86 -53.16 -58.39 -51.13 . . 0 "[ . 1]"
66 . 2 58 ALA N 2 58 ALA CA 2 58 ALA C 2 59 LYS N -70.00 -16.54 -39.23 -43.19 -34.34 . . 0 "[ . 1]"
67 . 2 58 ALA C 2 59 LYS N 2 59 LYS CA 2 59 LYS C -90.00 -38.74 -64.07 -63.18 -64.74 . . 0 "[ . 1]"
68 . 2 59 LYS N 2 59 LYS CA 2 59 LYS C 2 60 LYS N -70.00 -15.08 -37.63 -47.15 -29.05 . . 0 "[ . 1]"
69 . 2 59 LYS C 2 60 LYS N 2 60 LYS CA 2 60 LYS C -90.00 -39.92 -78.82 -74.15 -80.13 . . 0 "[ . 1]"
70 . 2 60 LYS N 2 60 LYS CA 2 60 LYS C 2 61 LEU N -70.00 -16.54 -34.22 -45.57 -23.81 . . 0 "[ . 1]"
71 . 2 60 LYS C 2 61 LEU N 2 61 LEU CA 2 61 LEU C -90.00 -39.96 -61.74 -66.30 -57.67 . . 0 "[ . 1]"
72 . 2 61 LEU N 2 61 LEU CA 2 61 LEU C 2 62 ASN N -70.00 -19.26 -54.50 -52.61 -55.55 . . 0 "[ . 1]"
73 . 2 61 LEU C 2 62 ASN N 2 62 ASN CA 2 62 ASN C -80.00 -49.60 -60.94 -70.08 -48.28 1.32 10 0 "[ . 1]"
74 . 2 62 ASN N 2 62 ASN CA 2 62 ASN C 2 63 ASP N -60.00 -17.96 -30.64 -23.71 -27.09 . . 0 "[ . 1]"
75 . 2 62 ASN C 2 63 ASP N 2 63 ASP CA 2 63 ASP C -90.00 -39.66 -72.19 -81.93 -63.69 . . 0 "[ . 1]"
76 . 2 63 ASP N 2 63 ASP CA 2 63 ASP C 2 64 ALA N -70.00 -7.22 -38.02 -44.75 -30.91 . . 0 "[ . 1]"
77 . 2 63 ASP C 2 64 ALA N 2 64 ALA CA 2 64 ALA C -90.00 -39.92 -73.01 -71.23 -72.49 . . 0 "[ . 1]"
78 . 2 64 ALA N 2 64 ALA CA 2 64 ALA C 2 65 GLN N -70.00 -0.52 -27.30 -26.73 -29.27 . . 0 "[ . 1]"
79 . 3 24 GLY C 3 25 GLU N 3 25 GLU CA 3 25 GLU C -110.00 -38.84 -83.66 -94.27 -78.34 . . 0 "[ . 1]"
80 . 3 25 GLU N 3 25 GLU CA 3 25 GLU C 3 26 ILE N 110.00 -170.20 157.65 154.62 151.48 . . 0 "[ . 1]"
81 . 3 25 GLU C 3 26 ILE N 3 26 ILE CA 3 26 ILE C -150.00 -54.88 -98.73 -104.81 -94.80 . . 0 "[ . 1]"
82 . 3 26 ILE N 3 26 ILE CA 3 26 ILE C 3 27 VAL N 100.00 156.36 128.20 125.38 124.88 . . 0 "[ . 1]"
83 . 3 26 ILE C 3 27 VAL N 3 27 VAL CA 3 27 VAL C -140.00 -69.80 -124.90 -119.47 -122.80 . . 0 "[ . 1]"
84 . 3 27 VAL N 3 27 VAL CA 3 27 VAL C 3 28 TYR N 90.00 144.00 90.61 88.12 87.97 3.25 10 0 "[ . 1]"
85 . 3 27 VAL C 3 28 TYR N 3 28 TYR CA 3 28 TYR C -130.00 -27.96 -84.69 -90.60 -79.53 . . 0 "[ . 1]"
86 . 3 28 TYR N 3 28 TYR CA 3 28 TYR C 3 29 LEU N 90.00 174.10 125.55 112.99 132.99 . . 0 "[ . 1]"
87 . 3 29 LEU C 3 30 PRO N 3 30 PRO CA 3 30 PRO C -90.00 -31.26 -82.70 -77.99 -80.85 0.35 5 0 "[ . 1]"
88 . 3 30 PRO N 3 30 PRO CA 3 30 PRO C 3 31 ASN N -50.00 11.22 -4.79 -14.36 8.75 . . 0 "[ . 1]"
89 . 3 30 PRO C 3 31 ASN N 3 31 ASN CA 3 31 ASN C -120.00 -53.02 -92.58 -98.88 -85.99 . . 0 "[ . 1]"
90 . 3 31 ASN N 3 31 ASN CA 3 31 ASN C 3 32 LEU N -30.00 34.34 -10.80 -9.47 -10.62 . . 0 "[ . 1]"
91 . 3 31 ASN C 3 32 LEU N 3 32 LEU CA 3 32 LEU C -100.00 -32.24 -68.13 -67.64 -69.33 . . 0 "[ . 1]"
92 . 3 32 LEU N 3 32 LEU CA 3 32 LEU C 3 33 ASN N 110.00 -179.94 136.58 122.02 148.86 . . 0 "[ . 1]"
93 . 3 32 LEU C 3 33 ASN N 3 33 ASN CA 3 33 ASN C -100.00 -42.88 -83.04 -100.59 -74.24 0.59 3 0 "[ . 1]"
94 . 3 33 ASN N 3 33 ASN CA 3 33 ASN C 3 34 PRO N 120.00 -176.98 141.15 131.41 149.55 . . 0 "[ . 1]"
95 . 3 33 ASN C 3 34 PRO N 3 34 PRO CA 3 34 PRO C -70.00 -39.98 -42.76 -47.81 -40.62 . . 0 "[ . 1]"
96 . 3 34 PRO N 3 34 PRO CA 3 34 PRO C 3 35 ASP N -60.00 -10.00 -52.03 -60.86 -47.89 0.86 2 0 "[ . 1]"
97 . 3 34 PRO C 3 35 ASP N 3 35 ASP CA 3 35 ASP C -90.00 -39.48 -59.63 -60.24 -60.36 . . 0 "[ . 1]"
98 . 3 35 ASP N 3 35 ASP CA 3 35 ASP C 3 36 GLN N -70.00 -10.58 -38.89 -35.97 -36.53 . . 0 "[ . 1]"
99 . 3 35 ASP C 3 36 GLN N 3 36 GLN CA 3 36 GLN C -90.00 -36.72 -72.63 -64.85 -70.57 0.17 3 0 "[ . 1]"
100 . 3 36 GLN N 3 36 GLN CA 3 36 GLN C 3 37 LEU N -70.00 -13.06 -49.61 -44.77 -47.10 . . 0 "[ . 1]"
101 . 3 36 GLN C 3 37 LEU N 3 37 LEU CA 3 37 LEU C -90.00 -38.52 -68.73 -75.14 -63.56 . . 0 "[ . 1]"
102 . 3 37 LEU N 3 37 LEU CA 3 37 LEU C 3 38 CYS N -70.00 -19.58 -22.46 -28.46 -15.75 3.83 4 0 "[ . 1]"
103 . 3 37 LEU C 3 38 CYS N 3 38 CYS CA 3 38 CYS C -90.00 -38.56 -58.38 -59.09 -60.07 . . 0 "[ . 1]"
104 . 3 38 CYS N 3 38 CYS CA 3 38 CYS C 3 39 ALA N -70.00 -12.72 -39.14 -37.93 -42.50 . . 0 "[ . 1]"
105 . 3 38 CYS C 3 39 ALA N 3 39 ALA CA 3 39 ALA C -80.00 -49.06 -67.45 -63.99 -67.41 0.38 8 0 "[ . 1]"
106 . 3 39 ALA N 3 39 ALA CA 3 39 ALA C 3 40 PHE N -70.00 -7.16 -41.33 -48.84 -36.53 . . 0 "[ . 1]"
107 . 3 39 ALA C 3 40 PHE N 3 40 PHE CA 3 40 PHE C -90.00 -40.02 -69.30 -85.53 -62.24 . . 0 "[ . 1]"
108 . 3 40 PHE N 3 40 PHE CA 3 40 PHE C 3 41 ILE N -70.00 -18.92 -37.75 -39.40 -46.70 . . 0 "[ . 1]"
109 . 3 40 PHE C 3 41 ILE N 3 41 ILE CA 3 41 ILE C -80.00 -49.68 -60.79 -58.74 -60.92 . . 0 "[ . 1]"
110 . 3 41 ILE N 3 41 ILE CA 3 41 ILE C 3 42 HIS N -70.00 -15.16 -46.01 -48.19 -43.00 . . 0 "[ . 1]"
111 . 3 41 ILE C 3 42 HIS N 3 42 HIS CA 3 42 HIS C -90.00 -36.76 -61.87 -64.47 -65.04 . . 0 "[ . 1]"
112 . 3 42 HIS N 3 42 HIS CA 3 42 HIS C 3 43 SER N -70.00 -17.24 -34.35 -41.62 -25.12 . . 0 "[ . 1]"
113 . 3 42 HIS C 3 43 SER N 3 43 SER CA 3 43 SER C -90.00 -39.82 -67.44 -65.01 -67.69 . . 0 "[ . 1]"
114 . 3 43 SER N 3 43 SER CA 3 43 SER C 3 44 ILE N -70.00 -17.30 -35.75 -34.83 -36.29 . . 0 "[ . 1]"
115 . 3 43 SER C 3 44 ILE N 3 44 ILE CA 3 44 ILE C -90.00 -40.08 -65.32 -69.12 -60.89 . . 0 "[ . 1]"
116 . 3 44 ILE N 3 44 ILE CA 3 44 ILE C 3 45 HIS N -70.00 -19.90 -38.04 -36.22 -37.06 . . 0 "[ . 1]"
117 . 3 44 ILE C 3 45 HIS N 3 45 HIS CA 3 45 HIS C -80.00 -46.64 -68.85 -79.93 -60.15 . . 0 "[ . 1]"
118 . 3 45 HIS N 3 45 HIS CA 3 45 HIS C 3 46 ASP N -70.00 -17.80 -37.25 -55.55 -23.92 . . 0 "[ . 1]"
119 . 3 45 HIS C 3 46 ASP N 3 46 ASP CA 3 46 ASP C -90.00 -39.86 -80.40 -79.31 -83.09 . . 0 "[ . 1]"
120 . 3 46 ASP N 3 46 ASP CA 3 46 ASP C 3 47 ASP N -60.00 9.70 -26.57 -26.42 -27.70 . . 0 "[ . 1]"
121 . 3 47 ASP C 3 48 PRO N 3 48 PRO CA 3 48 PRO C -90.00 -20.24 -66.51 -71.91 -59.62 . . 0 "[ . 1]"
122 . 3 48 PRO N 3 48 PRO CA 3 48 PRO C 3 49 SER N -60.00 4.66 -9.28 -8.90 -11.00 . . 0 "[ . 1]"
123 . 3 48 PRO C 3 49 SER N 3 49 SER CA 3 49 SER C -90.00 -40.00 -75.42 -86.11 -64.91 . . 0 "[ . 1]"
124 . 3 49 SER N 3 49 SER CA 3 49 SER C 3 50 GLN N -50.00 19.94 -38.48 -42.33 -46.28 . . 0 "[ . 1]"
125 . 3 49 SER C 3 50 GLN N 3 50 GLN CA 3 50 GLN C -90.00 -46.78 -82.74 -79.95 -80.33 0.16 9 0 "[ . 1]"
126 . 3 50 GLN N 3 50 GLN CA 3 50 GLN C 3 51 SER N -70.00 -0.52 2.47 3.12 2.11 4.32 3 0 "[ . 1]"
127 . 3 50 GLN C 3 51 SER N 3 51 SER CA 3 51 SER C -90.00 -34.00 -36.95 -33.44 -36.06 0.71 2 0 "[ . 1]"
128 . 3 51 SER N 3 51 SER CA 3 51 SER C 3 52 ALA N -70.00 -18.82 -62.95 -66.29 -68.67 . . 0 "[ . 1]"
129 . 3 51 SER C 3 52 ALA N 3 52 ALA CA 3 52 ALA C -90.00 -36.72 -52.87 -56.11 -47.85 . . 0 "[ . 1]"
130 . 3 52 ALA N 3 52 ALA CA 3 52 ALA C 3 53 ASN N -70.00 -17.20 -41.31 -38.49 -40.72 . . 0 "[ . 1]"
131 . 3 52 ALA C 3 53 ASN N 3 53 ASN CA 3 53 ASN C -80.00 -49.90 -71.88 -71.02 -72.92 . . 0 "[ . 1]"
132 . 3 53 ASN N 3 53 ASN CA 3 53 ASN C 3 54 LEU N -70.00 -19.90 -33.66 -37.11 -29.79 . . 0 "[ . 1]"
133 . 3 53 ASN C 3 54 LEU N 3 54 LEU CA 3 54 LEU C -90.00 -38.22 -70.74 -69.24 -72.97 . . 0 "[ . 1]"
134 . 3 54 LEU N 3 54 LEU CA 3 54 LEU C 3 55 LEU N -70.00 -19.06 -27.26 -34.02 -18.91 0.15 9 0 "[ . 1]"
135 . 3 54 LEU C 3 55 LEU N 3 55 LEU CA 3 55 LEU C -90.00 -31.72 -73.58 -79.89 -67.45 . . 0 "[ . 1]"
136 . 3 55 LEU N 3 55 LEU CA 3 55 LEU C 3 56 ALA N -70.00 -16.96 -41.41 -41.86 -43.42 . . 0 "[ . 1]"
137 . 3 55 LEU C 3 56 ALA N 3 56 ALA CA 3 56 ALA C -90.00 -39.90 -63.86 -65.75 -67.66 . . 0 "[ . 1]"
138 . 3 56 ALA N 3 56 ALA CA 3 56 ALA C 3 57 GLU N -60.00 -22.78 -38.47 -42.17 -30.74 . . 0 "[ . 1]"
139 . 3 56 ALA C 3 57 GLU N 3 57 GLU CA 3 57 GLU C -90.00 -39.66 -62.99 -69.75 -56.44 . . 0 "[ . 1]"
140 . 3 57 GLU N 3 57 GLU CA 3 57 GLU C 3 58 ALA N -60.00 -29.02 -52.23 -53.73 -58.73 . . 0 "[ . 1]"
141 . 3 57 GLU C 3 58 ALA N 3 58 ALA CA 3 58 ALA C -90.00 -39.62 -59.27 -54.25 -57.20 . . 0 "[ . 1]"
142 . 3 58 ALA N 3 58 ALA CA 3 58 ALA C 3 59 LYS N -70.00 -17.64 -39.76 -45.85 -30.57 . . 0 "[ . 1]"
143 . 3 58 ALA C 3 59 LYS N 3 59 LYS CA 3 59 LYS C -90.00 -39.02 -58.81 -66.95 -53.14 . . 0 "[ . 1]"
144 . 3 59 LYS N 3 59 LYS CA 3 59 LYS C 3 60 LYS N -60.00 -18.52 -31.06 -41.89 -23.22 . . 0 "[ . 1]"
145 . 3 59 LYS C 3 60 LYS N 3 60 LYS CA 3 60 LYS C -90.00 -39.70 -62.63 -71.51 -55.89 . . 0 "[ . 1]"
146 . 3 60 LYS N 3 60 LYS CA 3 60 LYS C 3 61 LEU N -60.00 -25.52 -44.80 -52.49 -40.25 . . 0 "[ . 1]"
147 . 3 60 LYS C 3 61 LEU N 3 61 LEU CA 3 61 LEU C -90.00 -39.84 -64.54 -61.92 -65.32 . . 0 "[ . 1]"
148 . 3 61 LEU N 3 61 LEU CA 3 61 LEU C 3 62 ASN N -70.00 -18.54 -48.24 -53.95 -41.22 . . 0 "[ . 1]"
149 . 3 61 LEU C 3 62 ASN N 3 62 ASN CA 3 62 ASN C -80.00 -49.60 -54.57 -61.90 -48.92 0.68 3 0 "[ . 1]"
150 . 3 62 ASN N 3 62 ASN CA 3 62 ASN C 3 63 ASP N -60.00 -17.96 -41.68 -49.45 -32.71 . . 0 "[ . 1]"
151 . 3 62 ASN C 3 63 ASP N 3 63 ASP CA 3 63 ASP C -90.00 -39.66 -74.43 -79.00 -67.02 . . 0 "[ . 1]"
152 . 3 63 ASP N 3 63 ASP CA 3 63 ASP C 3 64 ALA N -70.00 -7.22 -31.28 -29.18 -32.99 . . 0 "[ . 1]"
153 . 3 63 ASP C 3 64 ALA N 3 64 ALA CA 3 64 ALA C -90.00 -39.84 -65.18 -65.87 -68.22 . . 0 "[ . 1]"
154 . 3 64 ALA N 3 64 ALA CA 3 64 ALA C 3 65 GLN N -70.00 -0.44 -47.56 -58.70 -38.71 . . 0 "[ . 1]"
stop_
save_