NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439653 |
2k6v   |
15893 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2k6v
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 177
_TA_constraint_stats_list.Viol_count 1064
_TA_constraint_stats_list.Viol_total 90052.21
_TA_constraint_stats_list.Viol_max 13.12
_TA_constraint_stats_list.Viol_rms 1.49
_TA_constraint_stats_list.Viol_average_all_restraints 0.53
_TA_constraint_stats_list.Viol_average_violations_only 2.73
_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 PHI 1 19 PHE C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -140.00 -100.00 -122.91 -125.27 -126.66 4.05 22 0 "[ . 1 . 2 . 3 ]"
2 PHI 1 20 ALA C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -140.00 -100.00 -134.06 -144.85 -111.68 4.85 22 0 "[ . 1 . 2 . 3 ]"
3 PHI 1 21 LEU C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -140.00 -100.00 -109.54 -135.96 -96.42 3.58 3 0 "[ . 1 . 2 . 3 ]"
4 PHI 1 22 GLU C 1 23 GLY N 1 23 GLY CA 1 23 GLY C -140.00 -100.00 -134.25 -124.13 -127.87 3.82 7 0 "[ . 1 . 2 . 3 ]"
5 PHI 1 27 PRO C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -140.00 -100.00 -133.34 -143.32 -106.80 3.32 7 0 "[ . 1 . 2 . 3 ]"
6 PHI 1 28 VAL C 1 29 ARG N 1 29 ARG CA 1 29 ARG C -140.00 -100.00 -119.12 -125.80 -127.55 . . 0 "[ . 1 . 2 . 3 ]"
7 PHI 1 36 LYS C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -140.00 -100.00 -104.44 -141.85 -92.19 7.81 9 5 "[* -. **+1 . 2 . 3 ]"
8 PHI 1 37 VAL C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -140.00 -100.00 -116.46 -140.86 -92.69 7.31 1 3 "[+ . *- . 2 . 3 ]"
9 PHI 1 38 VAL C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -140.00 -100.00 -102.97 -111.37 -96.29 3.71 5 0 "[ . 1 . 2 . 3 ]"
10 PHI 1 39 LEU C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -140.00 -100.00 -105.38 -97.35 -98.81 3.62 29 0 "[ . 1 . 2 . 3 ]"
11 PHI 1 40 LEU C 1 41 PHE N 1 41 PHE CA 1 41 PHE C -140.00 -100.00 -132.67 -143.61 -110.44 3.61 31 0 "[ . 1 . 2 . 3 ]"
12 PHI 1 41 PHE C 1 42 PHE N 1 42 PHE CA 1 42 PHE C -140.00 -100.00 -103.07 -117.25 -96.72 3.28 5 0 "[ . 1 . 2 . 3 ]"
13 PHI 1 42 PHE C 1 43 GLY N 1 43 GLY CA 1 43 GLY C -140.00 -100.00 -144.32 -145.03 -145.62 8.80 12 10 "[* *. **1*+ *. 2*- . *3 ]"
14 PHI 1 49 ASP C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -70.00 -30.00 -45.59 -74.41 -21.72 8.28 18 1 "[ . 1 . + 2 . 3 ]"
15 PHI 1 50 VAL C 1 51 CYS N 1 51 CYS CA 1 51 CYS C -70.00 -30.00 -70.90 -78.34 -57.83 8.34 15 6 "[ -. * 1 + * 2 * *. 3 ]"
16 PHI 1 52 PRO C 1 53 THR N 1 53 THR CA 1 53 THR C -70.00 -30.00 -66.46 -74.55 -56.55 4.55 26 0 "[ . 1 . 2 . 3 ]"
17 PHI 1 53 THR C 1 54 THR N 1 54 THR CA 1 54 THR C -70.00 -30.00 -60.50 -70.61 -50.37 0.61 4 0 "[ . 1 . 2 . 3 ]"
18 PHI 1 54 THR C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -70.00 -30.00 -65.27 -70.15 -60.96 0.15 14 0 "[ . 1 . 2 . 3 ]"
19 PHI 1 55 LEU C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -70.00 -30.00 -68.12 -72.12 -62.09 2.12 9 0 "[ . 1 . 2 . 3 ]"
20 PHI 1 56 LEU C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -70.00 -30.00 -64.30 -61.43 -61.84 0.32 25 0 "[ . 1 . 2 . 3 ]"
21 PHI 1 57 ALA C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -70.00 -30.00 -56.72 -70.99 -49.28 0.99 15 0 "[ . 1 . 2 . 3 ]"
22 PHI 1 58 LEU C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -70.00 -30.00 -65.31 -63.22 -64.65 1.06 1 0 "[ . 1 . 2 . 3 ]"
23 PHI 1 59 LYS C 1 60 ARG N 1 60 ARG CA 1 60 ARG C -70.00 -30.00 -63.79 -70.85 -53.18 0.85 25 0 "[ . 1 . 2 . 3 ]"
24 PHI 1 60 ARG C 1 61 ALA N 1 61 ALA CA 1 61 ALA C -70.00 -30.00 -69.11 -70.64 -71.06 6.42 19 2 "[ . -1 . +2 . 3 ]"
25 PHI 1 61 ALA C 1 62 TYR N 1 62 TYR CA 1 62 TYR C -70.00 -30.00 -61.19 -53.90 -57.04 1.49 24 0 "[ . 1 . 2 . 3 ]"
26 PHI 1 62 TYR C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -70.00 -30.00 -67.50 -72.42 -59.76 2.42 19 0 "[ . 1 . 2 . 3 ]"
27 PHI 1 68 LYS C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -70.00 -30.00 -74.74 -80.91 -56.42 10.91 17 23 "[**-*. **1*** **+***** .******]"
28 PHI 1 69 ALA C 1 70 GLN N 1 70 GLN CA 1 70 GLN C -70.00 -30.00 -56.34 -59.42 -61.29 0.74 12 0 "[ . 1 . 2 . 3 ]"
29 PHI 1 70 GLN C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -70.00 -30.00 -49.16 -43.07 -44.61 . . 0 "[ . 1 . 2 . 3 ]"
30 PHI 1 73 VAL C 1 74 GLN N 1 74 GLN CA 1 74 GLN C -140.00 -100.00 -135.92 -125.72 -131.13 4.96 25 0 "[ . 1 . 2 . 3 ]"
31 PHI 1 74 GLN C 1 75 VAL N 1 75 VAL CA 1 75 VAL C -140.00 -100.00 -118.58 -107.60 -110.55 2.11 25 0 "[ . 1 . 2 . 3 ]"
32 PHI 1 75 VAL C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -140.00 -100.00 -121.43 -134.98 -104.81 . . 0 "[ . 1 . 2 . 3 ]"
33 PHI 1 76 ILE C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -140.00 -100.00 -98.06 -97.17 -97.19 5.09 13 1 "[ . 1 + . 2 . 3 ]"
34 PHI 1 77 PHE C 1 78 VAL N 1 78 VAL CA 1 78 VAL C -140.00 -100.00 -106.18 -130.87 -93.91 6.09 10 1 "[ . + . 2 . 3 ]"
35 PHI 1 87 PRO C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -70.00 -30.00 -64.49 -78.08 -49.74 8.08 9 1 "[ . +1 . 2 . 3 ]"
36 PHI 1 88 GLU C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -70.00 -30.00 -72.60 -74.26 -74.67 7.01 16 8 "[ . * * -+ * 2* .* * 3 ]"
37 PHI 1 89 VAL C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -70.00 -30.00 -58.75 -69.45 -47.66 . . 0 "[ . 1 . 2 . 3 ]"
38 PHI 1 90 ALA C 1 91 ASP N 1 91 ASP CA 1 91 ASP C -70.00 -30.00 -68.59 -72.43 -62.40 2.43 17 0 "[ . 1 . 2 . 3 ]"
39 PHI 1 91 ASP C 1 92 ARG N 1 92 ARG CA 1 92 ARG C -70.00 -30.00 -56.82 -60.32 -62.83 . . 0 "[ . 1 . 2 . 3 ]"
40 PHI 1 92 ARG C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -70.00 -30.00 -65.14 -74.77 -53.66 4.77 27 0 "[ . 1 . 2 . 3 ]"
41 PHI 1 93 TYR C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -70.00 -30.00 -61.51 -71.18 -46.46 1.18 13 0 "[ . 1 . 2 . 3 ]"
42 PHI 1 94 ALA C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -70.00 -30.00 -65.13 -72.27 -56.46 2.27 21 0 "[ . 1 . 2 . 3 ]"
43 PHI 1 95 LYS C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -70.00 -30.00 -65.00 -66.16 -67.36 2.50 7 0 "[ . 1 . 2 . 3 ]"
44 PHI 1 100 SER C 1 101 PHE N 1 101 PHE CA 1 101 PHE C -140.00 -100.00 -99.72 -102.48 -105.30 10.80 13 7 "[ * *** 1 + . * . 3-]"
45 PHI 1 101 PHE C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -140.00 -100.00 -127.67 -128.46 -130.35 3.62 7 0 "[ . 1 . 2 . 3 ]"
46 PHI 1 102 LEU C 1 103 GLY N 1 103 GLY CA 1 103 GLY C -140.00 -100.00 -104.93 -107.32 -109.86 3.55 7 0 "[ . 1 . 2 . 3 ]"
47 PHI 1 103 GLY C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -140.00 -100.00 -125.43 -141.28 -104.65 1.28 18 0 "[ . 1 . 2 . 3 ]"
48 PHI 1 104 LEU C 1 105 SER N 1 105 SER CA 1 105 SER C -140.00 -100.00 -148.16 -148.36 -148.68 13.12 24 26 "[**************.* *** -*+*****3 ]"
49 PHI 1 108 PRO C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -70.00 -30.00 -65.62 -72.16 -50.57 2.16 30 0 "[ . 1 . 2 . 3 ]"
50 PHI 1 109 GLU C 1 110 ALA N 1 110 ALA CA 1 110 ALA C -70.00 -30.00 -63.46 -62.11 -63.71 1.42 22 0 "[ . 1 . 2 . 3 ]"
51 PHI 1 110 ALA C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -70.00 -30.00 -58.85 -69.89 -52.42 . . 0 "[ . 1 . 2 . 3 ]"
52 PHI 1 111 VAL C 1 112 ARG N 1 112 ARG CA 1 112 ARG C -70.00 -30.00 -66.84 -59.43 -60.47 3.45 5 0 "[ . 1 . 2 . 3 ]"
53 PHI 1 112 ARG C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -70.00 -30.00 -57.34 -64.00 -67.33 . . 0 "[ . 1 . 2 . 3 ]"
54 PHI 1 113 GLU C 1 114 ALA N 1 114 ALA CA 1 114 ALA C -70.00 -30.00 -60.61 -67.94 -55.69 . . 0 "[ . 1 . 2 . 3 ]"
55 PHI 1 114 ALA C 1 115 ALA N 1 115 ALA CA 1 115 ALA C -70.00 -30.00 -62.75 -73.44 -53.22 3.44 26 0 "[ . 1 . 2 . 3 ]"
56 PHI 1 115 ALA C 1 116 GLN N 1 116 GLN CA 1 116 GLN C -70.00 -30.00 -62.26 -70.89 -52.54 0.89 3 0 "[ . 1 . 2 . 3 ]"
57 PHI 1 116 GLN C 1 117 THR N 1 117 THR CA 1 117 THR C -70.00 -30.00 -66.30 -60.46 -62.04 1.86 9 0 "[ . 1 . 2 . 3 ]"
58 PHI 1 117 THR C 1 118 PHE N 1 118 PHE CA 1 118 PHE C -70.00 -30.00 -75.22 -79.26 -72.59 9.26 15 18 "[** ** * * * *+ ** 2 ***.- ***]"
59 PHI 1 121 PHE C 1 122 TYR N 1 122 TYR CA 1 122 TYR C -140.00 -100.00 -140.89 -148.51 -106.16 8.51 2 5 "[ + . *1 . *2- . *3 ]"
60 PHI 1 122 TYR C 1 123 GLN N 1 123 GLN CA 1 123 GLN C -140.00 -100.00 -137.48 -139.50 -140.29 6.60 10 4 "[ . +* . -2 . * 3 ]"
61 PHI 1 123 GLN C 1 124 LYS N 1 124 LYS CA 1 124 LYS C -140.00 -100.00 -118.48 -123.79 -131.72 6.90 19 5 "[ . *1 . - +2 * . * ]"
62 PHI 1 124 LYS C 1 125 SER N 1 125 SER CA 1 125 SER C -140.00 -100.00 -125.71 -104.48 -111.80 4.80 27 0 "[ . 1 . 2 . 3 ]"
63 PHI 1 133 TYR C 1 134 LEU N 1 134 LEU CA 1 134 LEU C -140.00 -100.00 -114.98 -97.34 -100.72 9.18 22 1 "[ . 1 . 2 + . 3 ]"
64 PHI 1 134 LEU C 1 135 VAL N 1 135 VAL CA 1 135 VAL C -140.00 -100.00 -124.69 -145.26 -95.83 5.26 13 1 "[ . 1 + . 2 . 3 ]"
65 PHI 1 135 VAL C 1 136 ASP N 1 136 ASP CA 1 136 ASP C -140.00 -100.00 -109.98 -99.77 -101.07 2.91 20 0 "[ . 1 . 2 . 3 ]"
66 PHI 1 136 ASP C 1 137 HIS N 1 137 HIS CA 1 137 HIS C -140.00 -100.00 -138.01 -143.14 -144.46 9.48 22 9 "[ *.* 1** . *2 + *- * 3 ]"
67 PHI 1 139 ALA C 1 140 THR N 1 140 THR CA 1 140 THR C -140.00 -100.00 -116.71 -105.24 -130.38 7.96 28 5 "[ .* 1 . - * + 3*]"
68 PHI 1 140 THR C 1 141 THR N 1 141 THR CA 1 141 THR C -140.00 -100.00 -110.44 -110.90 -111.31 1.15 25 0 "[ . 1 . 2 . 3 ]"
69 PHI 1 141 THR C 1 142 PHE N 1 142 PHE CA 1 142 PHE C -140.00 -100.00 -127.02 -110.45 -114.32 1.50 9 0 "[ . 1 . 2 . 3 ]"
70 PHI 1 142 PHE C 1 143 VAL N 1 143 VAL CA 1 143 VAL C -140.00 -100.00 -106.15 -100.99 -101.57 3.30 27 0 "[ . 1 . 2 . 3 ]"
71 PHI 1 143 VAL C 1 144 VAL N 1 144 VAL CA 1 144 VAL C -140.00 -100.00 -120.99 -138.49 -109.11 . . 0 "[ . 1 . 2 . 3 ]"
72 PHI 1 144 VAL C 1 145 LYS N 1 145 LYS CA 1 145 LYS C -140.00 -100.00 -133.58 -132.71 -139.90 5.18 8 1 "[ . + 1 . 2 . 3 ]"
73 PHI 1 147 GLY C 1 148 ARG N 1 148 ARG CA 1 148 ARG C -140.00 -100.00 -134.56 -143.80 -103.65 3.80 29 0 "[ . 1 . 2 . 3 ]"
74 PHI 1 149 LEU C 1 150 VAL N 1 150 VAL CA 1 150 VAL C -140.00 -100.00 -113.17 -109.43 -113.18 2.48 28 0 "[ . 1 . 2 . 3 ]"
75 PHI 1 151 LEU C 1 152 LEU N 1 152 LEU CA 1 152 LEU C -140.00 -100.00 -115.47 -134.91 -100.45 . . 0 "[ . 1 . 2 . 3 ]"
76 PHI 1 160 ALA C 1 161 THR N 1 161 THR CA 1 161 THR C -70.00 -30.00 -36.94 -48.83 -27.20 2.80 15 0 "[ . 1 . 2 . 3 ]"
77 PHI 1 161 THR C 1 162 ASP N 1 162 ASP CA 1 162 ASP C -70.00 -30.00 -67.87 -68.90 -69.52 3.22 13 0 "[ . 1 . 2 . 3 ]"
78 PHI 1 162 ASP C 1 163 ARG N 1 163 ARG CA 1 163 ARG C -70.00 -30.00 -68.39 -73.43 -59.30 3.43 12 0 "[ . 1 . 2 . 3 ]"
79 PHI 1 163 ARG C 1 164 VAL N 1 164 VAL CA 1 164 VAL C -70.00 -30.00 -60.38 -58.64 -59.34 . . 0 "[ . 1 . 2 . 3 ]"
80 PHI 1 164 VAL C 1 165 VAL N 1 165 VAL CA 1 165 VAL C -70.00 -30.00 -55.44 -52.30 -53.31 . . 0 "[ . 1 . 2 . 3 ]"
81 PHI 1 165 VAL C 1 166 ALA N 1 166 ALA CA 1 166 ALA C -70.00 -30.00 -68.77 -74.12 -59.06 4.12 3 0 "[ . 1 . 2 . 3 ]"
82 PHI 1 167 ASP C 1 168 LEU N 1 168 LEU CA 1 168 LEU C -70.00 -30.00 -64.15 -71.51 -57.66 1.51 20 0 "[ . 1 . 2 . 3 ]"
83 PHI 1 168 LEU C 1 169 GLN N 1 169 GLN CA 1 169 GLN C -70.00 -30.00 -65.11 -62.96 -66.28 4.99 8 0 "[ . 1 . 2 . 3 ]"
84 PHI 1 169 GLN C 1 170 ALA N 1 170 ALA CA 1 170 ALA C -70.00 -30.00 -73.33 -78.66 -59.56 8.66 18 9 "[ ** .* 1 . + 2* **.- 3*]"
85 PSI 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 LEU N 60.00 180.00 124.86 96.54 145.34 . . 0 "[ . 1 . 2 . 3 ]"
86 PSI 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 GLU N 60.00 180.00 170.72 178.98 174.53 3.80 2 0 "[ . 1 . 2 . 3 ]"
87 PSI 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 GLY N 60.00 180.00 147.19 129.67 166.05 . . 0 "[ . 1 . 2 . 3 ]"
88 PSI 1 23 GLY N 1 23 GLY CA 1 23 GLY C 1 24 PRO N 60.00 180.00 174.97 178.21 177.26 2.95 20 0 "[ . 1 . 2 . 3 ]"
89 PSI 1 26 GLY N 1 26 GLY CA 1 26 GLY C 1 27 PRO N 60.00 180.00 175.41 -176.69 -177.63 4.47 20 0 "[ . 1 . 2 . 3 ]"
90 PSI 1 27 PRO N 1 27 PRO CA 1 27 PRO C 1 28 VAL N 60.00 180.00 148.16 150.35 149.65 . . 0 "[ . 1 . 2 . 3 ]"
91 PSI 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 ARG N 60.00 180.00 144.04 126.75 167.51 . . 0 "[ . 1 . 2 . 3 ]"
92 PSI 1 29 ARG N 1 29 ARG CA 1 29 ARG C 1 30 LEU N 60.00 180.00 155.78 134.46 -179.03 0.97 9 0 "[ . 1 . 2 . 3 ]"
93 PSI 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 VAL N 60.00 180.00 112.90 95.80 92.86 . . 0 "[ . 1 . 2 . 3 ]"
94 PSI 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 LEU N 60.00 180.00 131.77 120.97 145.33 . . 0 "[ . 1 . 2 . 3 ]"
95 PSI 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 LEU N 60.00 180.00 118.74 112.15 109.13 . . 0 "[ . 1 . 2 . 3 ]"
96 PSI 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 PHE N 60.00 180.00 129.95 133.96 130.59 . . 0 "[ . 1 . 2 . 3 ]"
97 PSI 1 41 PHE N 1 41 PHE CA 1 41 PHE C 1 42 PHE N 60.00 180.00 130.26 118.99 145.54 . . 0 "[ . 1 . 2 . 3 ]"
98 PSI 1 42 PHE N 1 42 PHE CA 1 42 PHE C 1 43 GLY N 60.00 180.00 113.09 101.40 126.08 . . 0 "[ . 1 . 2 . 3 ]"
99 PSI 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 PHE N 60.00 180.00 179.89 164.59 -171.36 8.64 31 3 "[ . - 1 . 2 . *+]"
100 PSI 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 CYS N -60.00 -20.00 -30.47 -35.69 -37.57 3.34 15 0 "[ . 1 . 2 . 3 ]"
101 PSI 1 51 CYS N 1 51 CYS CA 1 51 CYS C 1 52 PRO N -60.00 -20.00 -59.57 -57.53 -58.58 6.12 4 2 "[ +. 1 . - . 3 ]"
102 PSI 1 52 PRO N 1 52 PRO CA 1 52 PRO C 1 53 THR N -60.00 -20.00 -38.53 -31.07 -34.37 . . 0 "[ . 1 . 2 . 3 ]"
103 PSI 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 THR N -60.00 -20.00 -51.52 -63.89 -34.93 3.89 26 0 "[ . 1 . 2 . 3 ]"
104 PSI 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 LEU N -60.00 -20.00 -43.68 -54.01 -30.57 . . 0 "[ . 1 . 2 . 3 ]"
105 PSI 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 LEU N -60.00 -20.00 -31.40 -27.96 -29.03 . . 0 "[ . 1 . 2 . 3 ]"
106 PSI 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 ALA N -60.00 -20.00 -44.54 -52.32 -32.57 . . 0 "[ . 1 . 2 . 3 ]"
107 PSI 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 LEU N -60.00 -20.00 -44.93 -46.36 -46.83 . . 0 "[ . 1 . 2 . 3 ]"
108 PSI 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 LYS N -60.00 -20.00 -51.04 -60.87 -35.49 0.87 19 0 "[ . 1 . 2 . 3 ]"
109 PSI 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 ARG N -60.00 -20.00 -34.90 -58.31 -25.08 . . 0 "[ . 1 . 2 . 3 ]"
110 PSI 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1 61 ALA N -60.00 -20.00 -30.43 -22.06 -25.16 1.19 24 0 "[ . 1 . 2 . 3 ]"
111 PSI 1 61 ALA N 1 61 ALA CA 1 61 ALA C 1 62 TYR N -60.00 -20.00 -46.71 -60.88 -34.48 0.88 23 0 "[ . 1 . 2 . 3 ]"
112 PSI 1 62 TYR N 1 62 TYR CA 1 62 TYR C 1 63 GLU N -60.00 -20.00 -41.37 -54.58 -32.51 . . 0 "[ . 1 . 2 . 3 ]"
113 PSI 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 LYS N -60.00 -20.00 -18.38 -30.54 -10.31 9.69 27 6 "[ . * -1 . ***2 . + 3 ]"
114 PSI 1 68 LYS N 1 68 LYS CA 1 68 LYS C 1 69 ALA N -60.00 -20.00 -26.66 -58.80 -15.72 4.28 27 0 "[ . 1 . 2 . 3 ]"
115 PSI 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 GLN N -60.00 -20.00 -36.61 -55.13 -16.36 3.64 18 0 "[ . 1 . 2 . 3 ]"
116 PSI 1 70 GLN N 1 70 GLN CA 1 70 GLN C 1 71 GLU N -60.00 -20.00 -34.81 -48.47 -23.91 . . 0 "[ . 1 . 2 . 3 ]"
117 PSI 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 ARG N -60.00 -20.00 -29.72 -50.96 -17.51 2.49 9 0 "[ . 1 . 2 . 3 ]"
118 PSI 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 GLN N 60.00 180.00 125.34 109.99 148.79 . . 0 "[ . 1 . 2 . 3 ]"
119 PSI 1 74 GLN N 1 74 GLN CA 1 74 GLN C 1 75 VAL N 60.00 180.00 148.31 130.97 165.14 . . 0 "[ . 1 . 2 . 3 ]"
120 PSI 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 ILE N 60.00 180.00 131.94 138.36 137.21 . . 0 "[ . 1 . 2 . 3 ]"
121 PSI 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 PHE N 60.00 180.00 121.70 110.26 130.57 . . 0 "[ . 1 . 2 . 3 ]"
122 PSI 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 VAL N 60.00 180.00 122.49 133.40 128.51 . . 0 "[ . 1 . 2 . 3 ]"
123 PSI 1 78 VAL N 1 78 VAL CA 1 78 VAL C 1 79 SER N 60.00 180.00 126.04 135.74 132.90 . . 0 "[ . 1 . 2 . 3 ]"
124 PSI 1 79 SER N 1 79 SER CA 1 79 SER C 1 80 VAL N 60.00 180.00 148.42 119.93 -175.16 4.84 31 0 "[ . 1 . 2 . 3 ]"
125 PSI 1 87 PRO N 1 87 PRO CA 1 87 PRO C 1 88 GLU N -60.00 -20.00 -35.42 -48.06 -26.43 . . 0 "[ . 1 . 2 . 3 ]"
126 PSI 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 VAL N -60.00 -20.00 -40.55 -51.54 -28.45 . . 0 "[ . 1 . 2 . 3 ]"
127 PSI 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 ALA N -60.00 -20.00 -41.95 -43.89 -44.88 . . 0 "[ . 1 . 2 . 3 ]"
128 PSI 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 ASP N -60.00 -20.00 -42.92 -44.85 -45.67 . . 0 "[ . 1 . 2 . 3 ]"
129 PSI 1 91 ASP N 1 91 ASP CA 1 91 ASP C 1 92 ARG N -60.00 -20.00 -44.52 -56.59 -31.73 . . 0 "[ . 1 . 2 . 3 ]"
130 PSI 1 92 ARG N 1 92 ARG CA 1 92 ARG C 1 93 TYR N -60.00 -20.00 -42.28 -59.97 -16.94 3.06 17 0 "[ . 1 . 2 . 3 ]"
131 PSI 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 ALA N -60.00 -20.00 -47.04 -44.04 -46.66 0.11 25 0 "[ . 1 . 2 . 3 ]"
132 PSI 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 LYS N -60.00 -20.00 -47.88 -58.39 -38.05 . . 0 "[ . 1 . 2 . 3 ]"
133 PSI 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 ALA N -60.00 -20.00 -26.68 -33.62 -34.55 4.02 3 0 "[ . 1 . 2 . 3 ]"
134 PSI 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 PHE N -60.00 -20.00 -26.82 -40.29 -20.66 . . 0 "[ . 1 . 2 . 3 ]"
135 PSI 1 101 PHE N 1 101 PHE CA 1 101 PHE C 1 102 LEU N 60.00 180.00 152.34 110.59 170.40 . . 0 "[ . 1 . 2 . 3 ]"
136 PSI 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 GLY N 60.00 180.00 135.99 126.50 147.20 . . 0 "[ . 1 . 2 . 3 ]"
137 PSI 1 103 GLY N 1 103 GLY CA 1 103 GLY C 1 104 LEU N 60.00 180.00 132.55 131.14 130.20 . . 0 "[ . 1 . 2 . 3 ]"
138 PSI 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 SER N 60.00 180.00 128.45 127.73 127.21 . . 0 "[ . 1 . 2 . 3 ]"
139 PSI 1 105 SER N 1 105 SER CA 1 105 SER C 1 106 GLY N 60.00 180.00 153.08 124.48 -168.53 11.47 17 1 "[ . 1 . + 2 . 3 ]"
140 PSI 1 108 PRO N 1 108 PRO CA 1 108 PRO C 1 109 GLU N -60.00 -20.00 -29.18 -26.63 -26.65 0.89 6 0 "[ . 1 . 2 . 3 ]"
141 PSI 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 ALA N -60.00 -20.00 -45.59 -46.11 -46.91 . . 0 "[ . 1 . 2 . 3 ]"
142 PSI 1 110 ALA N 1 110 ALA CA 1 110 ALA C 1 111 VAL N -60.00 -20.00 -45.08 -45.69 -45.90 . . 0 "[ . 1 . 2 . 3 ]"
143 PSI 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 ARG N -60.00 -20.00 -38.61 -47.43 -26.41 . . 0 "[ . 1 . 2 . 3 ]"
144 PSI 1 112 ARG N 1 112 ARG CA 1 112 ARG C 1 113 GLU N -60.00 -20.00 -41.22 -51.38 -52.52 . . 0 "[ . 1 . 2 . 3 ]"
145 PSI 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 ALA N -60.00 -20.00 -49.86 -63.44 -30.33 3.44 11 0 "[ . 1 . 2 . 3 ]"
146 PSI 1 114 ALA N 1 114 ALA CA 1 114 ALA C 1 115 ALA N -60.00 -20.00 -44.68 -42.25 -43.59 . . 0 "[ . 1 . 2 . 3 ]"
147 PSI 1 115 ALA N 1 115 ALA CA 1 115 ALA C 1 116 GLN N -60.00 -20.00 -49.92 -62.60 -36.93 2.60 7 0 "[ . 1 . 2 . 3 ]"
148 PSI 1 116 GLN N 1 116 GLN CA 1 116 GLN C 1 117 THR N -60.00 -20.00 -37.63 -38.23 -38.73 . . 0 "[ . 1 . 2 . 3 ]"
149 PSI 1 117 THR N 1 117 THR CA 1 117 THR C 1 118 PHE N -60.00 -20.00 -43.35 -51.03 -51.71 . . 0 "[ . 1 . 2 . 3 ]"
150 PSI 1 118 PHE N 1 118 PHE CA 1 118 PHE C 1 119 GLY N -60.00 -20.00 -27.42 -51.88 -16.10 3.90 6 0 "[ . 1 . 2 . 3 ]"
151 PSI 1 122 TYR N 1 122 TYR CA 1 122 TYR C 1 123 GLN N 60.00 180.00 145.79 154.46 150.20 . . 0 "[ . 1 . 2 . 3 ]"
152 PSI 1 123 GLN N 1 123 GLN CA 1 123 GLN C 1 124 LYS N 60.00 180.00 155.48 125.42 -176.70 3.30 1 0 "[ . 1 . 2 . 3 ]"
153 PSI 1 124 LYS N 1 124 LYS CA 1 124 LYS C 1 125 SER N 60.00 180.00 133.90 82.17 153.39 . . 0 "[ . 1 . 2 . 3 ]"
154 PSI 1 134 LEU N 1 134 LEU CA 1 134 LEU C 1 135 VAL N 60.00 180.00 151.59 87.20 173.90 . . 0 "[ . 1 . 2 . 3 ]"
155 PSI 1 135 VAL N 1 135 VAL CA 1 135 VAL C 1 136 ASP N 60.00 180.00 135.94 136.43 134.94 . . 0 "[ . 1 . 2 . 3 ]"
156 PSI 1 136 ASP N 1 136 ASP CA 1 136 ASP C 1 137 HIS N 60.00 180.00 126.42 136.65 133.58 . . 0 "[ . 1 . 2 . 3 ]"
157 PSI 1 137 HIS N 1 137 HIS CA 1 137 HIS C 1 138 THR N 60.00 180.00 147.94 126.33 165.46 . . 0 "[ . 1 . 2 . 3 ]"
158 PSI 1 140 THR N 1 140 THR CA 1 140 THR C 1 141 THR N 60.00 180.00 151.69 142.89 161.42 . . 0 "[ . 1 . 2 . 3 ]"
159 PSI 1 141 THR N 1 141 THR CA 1 141 THR C 1 142 PHE N 60.00 180.00 138.02 122.47 147.66 . . 0 "[ . 1 . 2 . 3 ]"
160 PSI 1 142 PHE N 1 142 PHE CA 1 142 PHE C 1 143 VAL N 60.00 180.00 129.25 124.78 124.25 . . 0 "[ . 1 . 2 . 3 ]"
161 PSI 1 143 VAL N 1 143 VAL CA 1 143 VAL C 1 144 VAL N 60.00 180.00 122.38 121.99 120.53 . . 0 "[ . 1 . 2 . 3 ]"
162 PSI 1 144 VAL N 1 144 VAL CA 1 144 VAL C 1 145 LYS N 60.00 180.00 135.17 139.73 137.60 . . 0 "[ . 1 . 2 . 3 ]"
163 PSI 1 145 LYS N 1 145 LYS CA 1 145 LYS C 1 146 GLU N 60.00 180.00 142.80 125.39 163.91 . . 0 "[ . 1 . 2 . 3 ]"
164 PSI 1 148 ARG N 1 148 ARG CA 1 148 ARG C 1 149 LEU N 60.00 180.00 147.56 145.33 144.89 . . 0 "[ . 1 . 2 . 3 ]"
165 PSI 1 149 LEU N 1 149 LEU CA 1 149 LEU C 1 150 VAL N 60.00 180.00 118.76 105.51 135.91 . . 0 "[ . 1 . 2 . 3 ]"
166 PSI 1 151 LEU N 1 151 LEU CA 1 151 LEU C 1 152 LEU N 60.00 180.00 145.11 149.43 147.77 . . 0 "[ . 1 . 2 . 3 ]"
167 PSI 1 152 LEU N 1 152 LEU CA 1 152 LEU C 1 153 TYR N 60.00 180.00 145.19 126.59 159.21 . . 0 "[ . 1 . 2 . 3 ]"
168 PSI 1 161 THR N 1 161 THR CA 1 161 THR C 1 162 ASP N -60.00 -20.00 -58.94 -54.08 -57.20 5.74 19 1 "[ . 1 . +2 . 3 ]"
169 PSI 1 162 ASP N 1 162 ASP CA 1 162 ASP C 1 163 ARG N -60.00 -20.00 -24.69 -44.57 -16.32 3.68 3 0 "[ . 1 . 2 . 3 ]"
170 PSI 1 163 ARG N 1 163 ARG CA 1 163 ARG C 1 164 VAL N -60.00 -20.00 -44.91 -53.45 -33.25 . . 0 "[ . 1 . 2 . 3 ]"
171 PSI 1 164 VAL N 1 164 VAL CA 1 164 VAL C 1 165 VAL N -60.00 -20.00 -42.03 -56.46 -32.98 . . 0 "[ . 1 . 2 . 3 ]"
172 PSI 1 165 VAL N 1 165 VAL CA 1 165 VAL C 1 166 ALA N -60.00 -20.00 -48.42 -55.79 -57.35 . . 0 "[ . 1 . 2 . 3 ]"
173 PSI 1 166 ALA N 1 166 ALA CA 1 166 ALA C 1 167 ASP N -60.00 -20.00 -37.53 -24.96 -30.53 1.20 6 0 "[ . 1 . 2 . 3 ]"
174 PSI 1 167 ASP N 1 167 ASP CA 1 167 ASP C 1 168 LEU N -60.00 -20.00 -42.04 -51.92 -23.90 . . 0 "[ . 1 . 2 . 3 ]"
175 PSI 1 168 LEU N 1 168 LEU CA 1 168 LEU C 1 169 GLN N -60.00 -20.00 -34.49 -30.63 -32.36 . . 0 "[ . 1 . 2 . 3 ]"
176 PSI 1 169 GLN N 1 169 GLN CA 1 169 GLN C 1 170 ALA N -60.00 -20.00 -30.04 -52.57 -18.15 1.85 4 0 "[ . 1 . 2 . 3 ]"
177 PSI 1 170 ALA N 1 170 ALA CA 1 170 ALA C 1 171 LEU N -60.00 -20.00 -19.35 -32.97 -10.39 9.61 25 4 "[ * . 1 . *2- + 3 ]"
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