NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
427758 |
2hrn   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2hrn
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 169
_TA_constraint_stats_list.Viol_count 1239
_TA_constraint_stats_list.Viol_total 326344.00
_TA_constraint_stats_list.Viol_max 68.62
_TA_constraint_stats_list.Viol_rms 6.09
_TA_constraint_stats_list.Viol_average_all_restraints 2.15
_TA_constraint_stats_list.Viol_average_violations_only 8.78
_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 23 THR C 1 24 ASP N 1 24 ASP CA 1 24 ASP C -70.00 -30.00 -50.83 -69.87 -21.42 8.58 25 1 "[ . 1 . 2 + 3]"
2 PHI 1 24 ASP C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -70.00 -30.00 -73.45 -59.70 -61.92 44.16 27 11 "[ *** * 1* *. * 2 .*+-*3]"
3 PHI 1 25 LYS C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -70.00 -30.00 -80.62 -107.97 -63.56 37.97 30 18 "[ * ** ***** *** 2* **-**+]"
4 PHI 1 26 ASP C 1 27 TYR N 1 27 TYR CA 1 27 TYR C -100.00 -30.00 -91.64 -114.43 -116.50 18.46 18 6 "[**-*. 1 . *+ 2 . 3]"
5 PHI 1 44 VAL C 1 45 CYS N 1 45 CYS CA 1 45 CYS C -70.00 -30.00 -61.04 -81.30 -26.76 11.30 26 2 "[ . 1 . 2 .+ -3]"
6 PHI 1 45 CYS C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -70.00 -30.00 -69.53 -57.58 -60.12 42.75 29 4 "[ . * 1 . 2* -. +3]"
7 PHI 1 46 LEU C 1 47 GLU N 1 47 GLU CA 1 47 GLU C -70.00 -30.00 -63.77 -63.55 -65.74 15.07 27 3 "[ . 1 . -* . + 3]"
8 PHI 1 47 GLU C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -70.00 -30.00 -71.52 -95.96 -55.69 25.96 2 8 "[ +* . 1** . *2 * *.- 3]"
9 PHI 1 48 GLU C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -70.00 -30.00 -63.29 -58.39 -59.65 1.53 13 0 "[ . 1 . 2 . 3]"
10 PHI 1 49 LEU C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -70.00 -30.00 -61.31 -73.32 -45.74 3.32 15 0 "[ . 1 . 2 . 3]"
11 PHI 1 50 GLU C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -70.00 -30.00 -59.71 -70.22 -51.10 0.22 15 0 "[ . 1 . 2 . 3]"
12 PHI 1 51 LYS C 1 52 MET N 1 52 MET CA 1 52 MET C -70.00 -30.00 -65.95 -96.84 -45.12 26.84 7 3 "[ . + *1 . -2 . 3]"
13 PHI 1 52 MET C 1 53 ILE N 1 53 ILE CA 1 53 ILE C -70.00 -30.00 -61.99 -51.59 -52.40 14.70 6 3 "[ .+ * -. 2 . 3]"
14 PHI 1 53 ILE C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -70.00 -30.00 -58.62 -66.07 -49.32 . . 0 "[ . 1 . 2 . 3]"
15 PHI 1 54 GLN C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -70.00 -30.00 -72.39 -79.39 -81.80 35.18 26 11 "[*** . * 1-* . * ** .+ * 3]"
16 PHI 1 55 VAL C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -70.00 -30.00 -71.58 -90.71 -58.82 20.71 6 7 "[ - *+ * * . 2 * *3]"
17 PHI 1 56 VAL C 1 57 ASP N 1 57 ASP CA 1 57 ASP C -70.00 -30.00 -69.36 -101.21 -34.75 31.21 9 9 "[ **.***+* - . *2 . 3]"
18 PHI 1 57 ASP C 1 58 GLU N 1 58 GLU CA 1 58 GLU C -70.00 -30.00 -71.43 -95.06 -54.53 25.06 30 10 "[ * . *- 1 *** 2* * .* +]"
19 PHI 1 58 GLU C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -70.00 -30.00 -72.97 -119.11 -55.66 49.11 14 12 "[ * *- * 1 *+*** ** . * 3]"
20 PHI 1 59 ILE C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -70.00 -30.00 -62.45 -55.25 -56.62 8.03 4 1 "[ +. 1 . 2 . 3]"
21 PHI 1 60 ASP C 1 61 SER N 1 61 SER CA 1 61 SER C -70.00 -30.00 -77.91 -83.76 -88.34 24.07 23 16 "[** * * *1 *.*** 2**+ -* * *]"
22 PHI 1 81 THR C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -70.00 -30.00 -55.61 -74.59 -35.88 4.59 9 0 "[ . 1 . 2 . 3]"
23 PHI 1 82 LYS C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -70.00 -30.00 -69.92 -70.14 -70.51 12.60 22 4 "[ .* 1 . -2 +* . 3]"
24 PHI 1 83 GLU C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -70.00 -30.00 -69.64 -86.85 -59.68 16.85 3 5 "[ + . - 1 * 2 * * 3]"
25 PHI 1 84 ALA C 1 85 ILE N 1 85 ILE CA 1 85 ILE C -70.00 -30.00 -68.34 -91.16 -53.20 21.16 4 4 "[ +. 1 . -2* . *]"
26 PHI 1 85 ILE C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -70.00 -30.00 -60.97 -67.99 -55.18 . . 0 "[ . 1 . 2 . 3]"
27 PHI 1 86 ALA C 1 87 ASN N 1 87 ASN CA 1 87 ASN C -70.00 -30.00 -69.94 -68.45 -68.76 31.17 15 8 "[ ** *- * + * * 3]"
28 PHI 1 87 ASN C 1 88 TYR N 1 88 TYR CA 1 88 TYR C -70.00 -30.00 -62.11 -75.58 -52.27 5.58 26 2 "[ . 1- . 2 .+ 3]"
29 PHI 1 88 TYR C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -70.00 -30.00 -63.53 -91.89 -51.30 21.89 8 3 "[ - . + 1 . * 2 . 3]"
30 PHI 1 89 VAL C 1 90 LYS N 1 90 LYS CA 1 90 LYS C -70.00 -30.00 -67.86 -51.78 -52.98 36.30 15 5 "[ *. *1 + 2 * -3]"
31 PHI 1 90 LYS C 1 91 GLU N 1 91 GLU CA 1 91 GLU C -70.00 -30.00 -75.84 -88.55 -92.49 45.11 26 12 "[**- .** 1* ** *2 *.+ * 3]"
32 PHI 1 102 THR C 1 103 ARG N 1 103 ARG CA 1 103 ARG C -70.00 -30.00 -49.71 -55.53 -58.37 0.94 11 0 "[ . 1 . 2 . 3]"
33 PHI 1 103 ARG C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -70.00 -30.00 -66.91 -85.73 -56.65 15.73 10 2 "[ . + . - 2 . 3]"
34 PHI 1 104 GLU C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -70.00 -30.00 -67.21 -49.14 -58.56 16.86 20 4 "[ . * 1 . + - . *]"
35 PHI 1 105 GLU C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -70.00 -30.00 -67.21 -78.45 -57.80 8.45 15 3 "[ . 1 + 2 * . - 3]"
36 PHI 1 106 VAL C 1 107 ASP N 1 107 ASP CA 1 107 ASP C -70.00 -30.00 -63.96 -65.44 -67.09 5.40 18 1 "[ . 1 . + 2 . 3]"
37 PHI 1 107 ASP C 1 108 GLN N 1 108 GLN CA 1 108 GLN C -70.00 -30.00 -61.35 -75.02 -47.14 5.02 14 1 "[ . 1 +. 2 . 3]"
38 PHI 1 108 GLN C 1 109 VAL N 1 109 VAL CA 1 109 VAL C -70.00 -30.00 -68.20 -76.42 -55.98 6.42 22 1 "[ . 1 . 2 + . 3]"
39 PHI 1 109 VAL C 1 110 ALA N 1 110 ALA CA 1 110 ALA C -70.00 -30.00 -67.54 -61.85 -64.77 10.14 21 5 "[ . 1 * -2+ . **]"
40 PHI 1 110 ALA C 1 111 ARG N 1 111 ARG CA 1 111 ARG C -70.00 -30.00 -75.00 -88.99 -60.55 18.99 28 13 "[ **.** *1- . **2** . *+*3]"
41 PHI 1 111 ARG C 1 112 ALA N 1 112 ALA CA 1 112 ALA C -70.00 -30.00 -67.92 -68.47 -69.98 9.96 9 3 "[ . +1 * . 2 . -]"
42 PHI 1 154 ARG C 1 155 LYS N 1 155 LYS CA 1 155 LYS C -70.00 -30.00 -39.73 -57.70 -63.86 68.62 6 2 "[ .+ 1 . 2 . -3]"
43 PHI 1 155 LYS C 1 156 GLY N 1 156 GLY CA 1 156 GLY C -70.00 -30.00 -65.83 -74.21 -57.83 4.21 27 0 "[ . 1 . 2 . 3]"
44 PHI 1 156 GLY C 1 157 GLU N 1 157 GLU CA 1 157 GLU C -70.00 -30.00 -70.81 -72.51 -74.27 14.61 15 8 "[* . * 1 + 2 * *.* - *]"
45 PHI 1 157 GLU C 1 158 ILE N 1 158 ILE CA 1 158 ILE C -70.00 -30.00 -70.99 -94.43 -53.43 24.43 21 6 "[ . -1 * ** *2+ . 3]"
46 PHI 1 158 ILE C 1 159 ALA N 1 159 ALA CA 1 159 ALA C -70.00 -30.00 -59.17 -57.98 -59.29 8.06 12 1 "[ . 1 + . 2 . 3]"
47 PHI 1 159 ALA C 1 160 ALA N 1 160 ALA CA 1 160 ALA C -70.00 -30.00 -63.48 -69.94 -59.21 . . 0 "[ . 1 . 2 . 3]"
48 PHI 1 160 ALA C 1 161 SER N 1 161 SER CA 1 161 SER C -70.00 -30.00 -59.71 -56.01 -56.52 . . 0 "[ . 1 . 2 . 3]"
49 PHI 1 161 SER C 1 162 ILE N 1 162 ILE CA 1 162 ILE C -70.00 -30.00 -63.06 -64.59 -65.32 . . 0 "[ . 1 . 2 . 3]"
50 PHI 1 162 ILE C 1 163 ALA N 1 163 ALA CA 1 163 ALA C -70.00 -30.00 -65.52 -66.74 -67.53 0.49 10 0 "[ . 1 . 2 . 3]"
51 PHI 1 163 ALA C 1 164 THR N 1 164 THR CA 1 164 THR C -70.00 -30.00 -75.68 -94.63 -61.09 24.63 23 13 "[** -. * ***.* 2 *+ .* **3]"
52 PHI 1 164 THR C 1 165 HIS N 1 165 HIS CA 1 165 HIS C -70.00 -30.00 -68.05 -75.58 -58.95 5.58 9 1 "[ . +1 . 2 . 3]"
53 PHI 1 165 HIS C 1 166 MET N 1 166 MET CA 1 166 MET C -70.00 -30.00 -65.24 -53.40 -54.49 6.76 28 3 "[ . 1 . -* . + 3]"
54 PHI 1 166 MET C 1 167 ARG N 1 167 ARG CA 1 167 ARG C -70.00 -30.00 -59.63 -80.18 -50.98 10.18 28 1 "[ . 1 . 2 . + 3]"
55 PSI 1 24 ASP N 1 24 ASP CA 1 24 ASP C 1 25 LYS N -60.00 -20.00 -48.09 -41.46 -43.03 10.83 8 3 "[ . + 1* . 2 - 3]"
56 PSI 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 ASP N -60.00 -20.00 -7.22 -32.59 13.71 33.71 11 20 "[ **. ***1+ ***- 2**********]"
57 PSI 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 TYR N -60.00 -20.00 -30.16 -58.14 -0.65 19.35 17 3 "[ . - . +* 2 . 3]"
58 PSI 1 27 TYR N 1 27 TYR CA 1 27 TYR C 1 28 LEU N -60.00 20.00 -32.02 -11.78 -19.46 12.77 10 1 "[ . + . 2 . 3]"
59 PSI 1 45 CYS N 1 45 CYS CA 1 45 CYS C 1 46 LEU N -60.00 -20.00 -40.13 -67.58 8.46 28.46 29 2 "[ . 1 . - 2 . +3]"
60 PSI 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 GLU N -60.00 -20.00 -42.65 -44.37 -47.02 0.81 13 0 "[ . 1 . 2 . 3]"
61 PSI 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 GLU N -60.00 -20.00 -40.08 -22.64 -22.92 . . 0 "[ . 1 . 2 . 3]"
62 PSI 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 LEU N -60.00 -20.00 -38.29 -38.77 -39.58 . . 0 "[ . 1 . 2 . 3]"
63 PSI 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 GLU N -60.00 -20.00 -40.52 -58.01 -19.69 0.31 6 0 "[ . 1 . 2 . 3]"
64 PSI 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 LYS N -60.00 -20.00 -47.15 -30.48 -31.75 0.30 20 0 "[ . 1 . 2 . 3]"
65 PSI 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 MET N -60.00 -20.00 -39.34 -63.33 -8.53 11.47 7 1 "[ . + 1 . 2 . 3]"
66 PSI 1 52 MET N 1 52 MET CA 1 52 MET C 1 53 ILE N -60.00 -20.00 -43.83 -42.01 -44.58 5.60 22 1 "[ . 1 . 2 + . 3]"
67 PSI 1 53 ILE N 1 53 ILE CA 1 53 ILE C 1 54 GLN N -60.00 -20.00 -48.60 -64.47 -33.85 4.47 12 0 "[ . 1 . 2 . 3]"
68 PSI 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 VAL N -60.00 -20.00 -27.35 -24.00 -24.93 14.18 26 3 "[ . * 1 . 2 .+ - 3]"
69 PSI 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 VAL N -60.00 -20.00 -37.58 -57.27 -4.11 15.89 28 2 "[ . 1 . 2 .- + 3]"
70 PSI 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 ASP N -60.00 -20.00 -35.95 -55.51 -13.49 6.51 10 1 "[ . + . 2 . 3]"
71 PSI 1 57 ASP N 1 57 ASP CA 1 57 ASP C 1 58 GLU N -60.00 -20.00 -32.85 -19.51 -25.23 13.44 7 3 "[ * .-+ 1 . 2 . 3]"
72 PSI 1 58 GLU N 1 58 GLU CA 1 58 GLU C 1 59 ILE N -60.00 -20.00 -29.32 -30.41 -32.94 35.13 14 3 "[ . - 1 +. 2 . * 3]"
73 PSI 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 ASP N -60.00 -20.00 -40.87 -33.36 -35.53 11.26 14 1 "[ . 1 +. 2 . 3]"
74 PSI 1 60 ASP N 1 60 ASP CA 1 60 ASP C 1 61 SER N -60.00 -20.00 -32.41 -51.45 -12.94 7.06 30 1 "[ . 1 . 2 . +]"
75 PSI 1 61 SER N 1 61 SER CA 1 61 SER C 1 62 ILE N -60.00 -20.00 -18.08 -13.15 -15.20 20.71 14 12 "[ ***. *-1 **+** *2 . * 3]"
76 PSI 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 GLU N -60.00 -20.00 -39.87 -33.24 -36.61 3.24 6 0 "[ . 1 . 2 . 3]"
77 PSI 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 ALA N -60.00 -20.00 -32.10 -31.28 -32.39 6.28 6 1 "[ .+ 1 . 2 . 3]"
78 PSI 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 ILE N -60.00 -20.00 -43.75 -46.82 -48.06 2.74 4 0 "[ . 1 . 2 . 3]"
79 PSI 1 85 ILE N 1 85 ILE CA 1 85 ILE C 1 86 ALA N -60.00 -20.00 -33.00 -35.57 -36.22 0.83 4 0 "[ . 1 . 2 . 3]"
80 PSI 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 ASN N -60.00 -20.00 -31.50 -51.38 -4.89 15.11 25 3 "[ -. 1 * 2 + 3]"
81 PSI 1 87 ASN N 1 87 ASN CA 1 87 ASN C 1 88 TYR N -60.00 -20.00 -39.38 -27.78 -29.99 . . 0 "[ . 1 . 2 . 3]"
82 PSI 1 88 TYR N 1 88 TYR CA 1 88 TYR C 1 89 VAL N -60.00 -20.00 -43.17 -56.73 -27.91 . . 0 "[ . 1 . 2 . 3]"
83 PSI 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 LYS N -60.00 -20.00 -33.41 -19.66 -22.90 10.93 15 2 "[ - . 1 + 2 . 3]"
84 PSI 1 90 LYS N 1 90 LYS CA 1 90 LYS C 1 91 GLU N -60.00 -20.00 -28.58 -44.55 5.45 25.45 29 2 "[ . -1 . 2 . +3]"
85 PSI 1 91 GLU N 1 91 GLU CA 1 91 GLU C 1 92 PHE N -60.00 -20.00 -36.49 -14.89 -19.43 17.56 3 4 "[ *+ .-* 1 . 2 . 3]"
86 PSI 1 103 ARG N 1 103 ARG CA 1 103 ARG C 1 104 GLU N -60.00 -20.00 -34.97 -57.67 -13.06 6.94 7 1 "[ . + 1 . 2 . 3]"
87 PSI 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 GLU N -60.00 -20.00 -41.67 -44.87 -45.86 . . 0 "[ . 1 . 2 . 3]"
88 PSI 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 VAL N -60.00 -20.00 -42.75 -52.74 -28.46 . . 0 "[ . 1 . 2 . 3]"
89 PSI 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 ASP N -60.00 -20.00 -36.34 -48.52 -20.00 0.00 15 0 "[ . 1 . 2 . 3]"
90 PSI 1 107 ASP N 1 107 ASP CA 1 107 ASP C 1 108 GLN N -60.00 -20.00 -42.12 -61.71 -19.20 1.71 25 0 "[ . 1 . 2 . 3]"
91 PSI 1 108 GLN N 1 108 GLN CA 1 108 GLN C 1 109 VAL N -60.00 -20.00 -47.23 -55.55 -38.22 . . 0 "[ . 1 . 2 . 3]"
92 PSI 1 109 VAL N 1 109 VAL CA 1 109 VAL C 1 110 ALA N -60.00 -20.00 -36.48 -49.65 -17.76 2.24 28 0 "[ . 1 . 2 . 3]"
93 PSI 1 110 ALA N 1 110 ALA CA 1 110 ALA C 1 111 ARG N -60.00 -20.00 -31.78 -48.83 -11.40 8.60 21 3 "[ - . 1 . 2+ . *3]"
94 PSI 1 111 ARG N 1 111 ARG CA 1 111 ARG C 1 112 ALA N -60.00 -20.00 -37.67 -47.67 -56.48 0.53 13 0 "[ . 1 . 2 . 3]"
95 PSI 1 112 ALA N 1 112 ALA CA 1 112 ALA C 1 113 TYR N -60.00 -20.00 -57.36 -64.62 -66.57 27.47 30 7 "[- . 1 . *2** .* *+]"
96 PSI 1 155 LYS N 1 155 LYS CA 1 155 LYS C 1 156 GLY N -60.00 -20.00 -58.71 -71.70 -85.25 36.28 6 9 "[*** .+ * 1 .* 2 -.* *3]"
97 PSI 1 156 GLY N 1 156 GLY CA 1 156 GLY C 1 157 GLU N -60.00 -20.00 -23.79 -19.97 -20.39 13.38 24 5 "[ * . 1* * . 2 +. -]"
98 PSI 1 157 GLU N 1 157 GLU CA 1 157 GLU C 1 158 ILE N -60.00 -20.00 -27.68 -43.17 -9.97 10.03 17 3 "[ . 1 * + -2 . 3]"
99 PSI 1 158 ILE N 1 158 ILE CA 1 158 ILE C 1 159 ALA N -60.00 -20.00 -42.35 -38.80 -39.81 . . 0 "[ . 1 . 2 . 3]"
100 PSI 1 159 ALA N 1 159 ALA CA 1 159 ALA C 1 160 ALA N -60.00 -20.00 -42.20 -40.02 -40.41 . . 0 "[ . 1 . 2 . 3]"
101 PSI 1 160 ALA N 1 160 ALA CA 1 160 ALA C 1 161 SER N -60.00 -20.00 -36.05 -35.04 -35.72 . . 0 "[ . 1 . 2 . 3]"
102 PSI 1 161 SER N 1 161 SER CA 1 161 SER C 1 162 ILE N -60.00 -20.00 -51.39 -62.69 -31.78 2.69 24 0 "[ . 1 . 2 . 3]"
103 PSI 1 162 ILE N 1 162 ILE CA 1 162 ILE C 1 163 ALA N -60.00 -20.00 -36.72 -47.85 -28.46 . . 0 "[ . 1 . 2 . 3]"
104 PSI 1 163 ALA N 1 163 ALA CA 1 163 ALA C 1 164 THR N -60.00 -20.00 -21.40 -13.34 -16.11 18.73 29 7 "[ * . * * .* 2 * .- +3]"
105 PSI 1 164 THR N 1 164 THR CA 1 164 THR C 1 165 HIS N -60.00 -20.00 -46.08 -58.32 -35.78 . . 0 "[ . 1 . 2 . 3]"
106 PSI 1 165 HIS N 1 165 HIS CA 1 165 HIS C 1 166 MET N -60.00 -20.00 -28.72 -43.08 -19.81 0.19 19 0 "[ . 1 . 2 . 3]"
107 PSI 1 166 MET N 1 166 MET CA 1 166 MET C 1 167 ARG N -60.00 -20.00 -25.37 -24.10 -24.51 32.45 28 4 "[ . - 1* . * . + 3]"
108 PSI 1 167 ARG N 1 167 ARG CA 1 167 ARG C 1 168 PRO N -60.00 -20.00 -46.47 -60.01 -35.90 0.01 2 0 "[ . 1 . 2 . 3]"
109 PHI 1 11 PRO C 1 12 PHE N 1 12 PHE CA 1 12 PHE C -140.00 -100.00 -136.52 177.05 -76.37 42.95 25 21 "[* **** ******** -** ** +** 3]"
110 PHI 1 12 PHE C 1 13 SER N 1 13 SER CA 1 13 SER C -140.00 -100.00 -142.42 -156.45 -116.12 16.45 18 14 "[ * .* * 1****. -+ 2* ** * *]"
111 PHI 1 13 SER C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -140.00 -100.00 -100.40 -114.51 -118.33 33.80 26 15 "[ **.** 1 . -* *** *+****]"
112 PHI 1 14 LEU C 1 15 THR N 1 15 THR CA 1 15 THR C -140.00 -100.00 -91.12 -108.38 -64.99 35.01 14 16 "[* **** **1* +* **2*** - 3]"
113 PHI 1 15 THR C 1 16 THR N 1 16 THR CA 1 16 THR C -140.00 -100.00 -94.58 -83.42 -89.26 29.56 20 15 "[ * .*** * ** .* *+* *- * *]"
114 PHI 1 20 GLU C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -140.00 -100.00 -129.54 -120.55 -131.74 24.34 4 13 "[* +** 1 ** **2**- .* *]"
115 PHI 1 21 ARG C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -140.00 -100.00 -106.25 -89.77 -95.14 26.98 11 7 "[ * . * -1+* * 2 * . 3]"
116 PHI 1 22 LYS C 1 23 THR N 1 23 THR CA 1 23 THR C -140.00 -100.00 -130.32 -168.89 -75.00 28.89 12 8 "[* . *1 + ** 2 * . - *]"
117 PHI 1 31 TRP C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -140.00 -100.00 -134.60 -123.73 -136.06 47.25 4 20 "[* *+****** * **- *2*** *** 3]"
118 PHI 1 32 LEU C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -140.00 -100.00 -116.69 -110.45 -112.77 3.79 12 0 "[ . 1 . 2 . 3]"
119 PHI 1 33 LEU C 1 34 ILE N 1 34 ILE CA 1 34 ILE C -140.00 -100.00 -109.73 -131.51 -90.55 9.45 20 2 "[ . 1 . + . - 3]"
120 PHI 1 34 ILE C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -140.00 -100.00 -128.63 -132.34 -135.22 12.59 19 4 "[ .* -1 . +2 . *3]"
121 PHI 1 35 TYR C 1 36 PHE N 1 36 PHE CA 1 36 PHE C -140.00 -100.00 -112.86 -127.80 -139.41 6.46 9 1 "[ . +1 . 2 . 3]"
122 PHI 1 36 PHE C 1 37 GLY N 1 37 GLY CA 1 37 GLY C -140.00 -100.00 -127.16 176.60 -70.40 43.40 24 12 "[* - . * 1** * ** 2 *+. * *]"
123 PHI 1 67 ASP C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -140.00 -100.00 -107.14 -99.98 -102.90 37.87 18 9 "[ * . * 1 .* + 2 * **-* 3]"
124 PHI 1 68 LEU C 1 69 THR N 1 69 THR CA 1 69 THR C -140.00 -100.00 -87.41 -66.35 -71.71 54.50 6 19 "[*****+ * 1 ***.* **-*** . * *3]"
125 PHI 1 70 PRO C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -140.00 -100.00 -113.96 -107.93 -109.54 10.29 11 1 "[ . 1+ . 2 . 3]"
126 PHI 1 71 LEU C 1 72 PHE N 1 72 PHE CA 1 72 PHE C -140.00 -100.00 -96.05 -122.02 -76.01 23.99 9 12 "[* *. *+1 .***** * -* 3]"
127 PHI 1 72 PHE C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -140.00 -100.00 -109.09 -101.65 -102.45 16.18 19 4 "[ . - 1 . +* . *3]"
128 PHI 1 96 LEU C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -140.00 -100.00 -107.04 -114.21 -116.24 21.92 3 5 "[ + .** 1 * - 2 . 3]"
129 PHI 1 97 VAL C 1 98 GLY N 1 98 GLY CA 1 98 GLY C -140.00 -100.00 -105.01 -124.45 -92.98 7.02 3 2 "[ + . 1 . 2 . -]"
130 PHI 1 98 GLY C 1 99 LEU N 1 99 LEU CA 1 99 LEU C -140.00 -100.00 -108.48 -125.36 -87.69 12.31 5 2 "[ + 1 . 2 . -]"
131 PHI 1 101 GLY C 1 102 THR N 1 102 THR CA 1 102 THR C -140.00 -100.00 -81.97 -125.90 -57.23 42.77 8 26 "[** ** *+ *****.******-********]"
132 PHI 1 135 ILE C 1 136 MET N 1 136 MET CA 1 136 MET C -140.00 -100.00 -112.76 -152.47 -72.18 27.82 15 10 "[ -* ** 1* + * 2** . * 3]"
133 PHI 1 136 MET C 1 137 TYR N 1 137 TYR CA 1 137 TYR C -140.00 -100.00 -113.88 -140.45 -94.61 5.39 18 1 "[ . 1 . + 2 . 3]"
134 PHI 1 137 TYR C 1 138 LEU N 1 138 LEU CA 1 138 LEU C -140.00 -100.00 -99.46 -111.83 -79.76 20.24 14 5 "[ . ** 1 +- 2 . * 3]"
135 PHI 1 138 LEU C 1 139 ILE N 1 139 ILE CA 1 139 ILE C -140.00 -100.00 -111.19 -88.87 -98.10 17.96 2 2 "[ + . - 1 . 2 . 3]"
136 PHI 1 145 PHE C 1 146 LEU N 1 146 LEU CA 1 146 LEU C -140.00 -100.00 -110.67 -179.10 -66.68 39.10 15 9 "[ *- 1* *+* 2 .* **3]"
137 PHI 1 147 ASP C 1 148 TYR N 1 148 TYR CA 1 148 TYR C -140.00 -100.00 -146.54 -152.81 -155.88 29.09 10 21 "[** ******+ ** **** 2 -** ** *]"
138 PHI 1 148 TYR C 1 149 PHE N 1 149 PHE CA 1 149 PHE C -140.00 -100.00 -128.75 -175.11 -80.81 35.11 10 8 "[ . * + *. ** 2 * *. - 3]"
139 PSI 1 12 PHE N 1 12 PHE CA 1 12 PHE C 1 13 SER N 60.00 180.00 169.55 166.95 166.85 10.39 30 1 "[ . 1 . 2 . +]"
140 PSI 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 LEU N 60.00 180.00 85.72 24.49 155.51 35.51 4 8 "[ +. * 1 . * -** . * *]"
141 PSI 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 THR N 60.00 180.00 148.06 129.55 163.68 . . 0 "[ . 1 . 2 . 3]"
142 PSI 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 THR N 60.00 180.00 138.68 128.33 153.29 . . 0 "[ . 1 . 2 . 3]"
143 PSI 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 HIS N 60.00 180.00 152.72 98.08 179.82 . . 0 "[ . 1 . 2 . 3]"
144 PSI 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 LYS N 60.00 180.00 122.15 88.21 142.19 . . 0 "[ . 1 . 2 . 3]"
145 PSI 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 THR N 60.00 180.00 157.64 147.08 143.46 7.03 16 1 "[ . 1 .+ 2 . 3]"
146 PSI 1 23 THR N 1 23 THR CA 1 23 THR C 1 24 ASP N 60.00 180.00 168.57 158.97 158.14 . . 0 "[ . 1 . 2 . 3]"
147 PSI 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 LEU N 60.00 180.00 153.31 125.44 166.55 . . 0 "[ . 1 . 2 . 3]"
148 PSI 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 ILE N 60.00 180.00 133.39 136.28 133.14 . . 0 "[ . 1 . 2 . 3]"
149 PSI 1 34 ILE N 1 34 ILE CA 1 34 ILE C 1 35 TYR N 60.00 180.00 127.37 110.47 145.23 . . 0 "[ . 1 . 2 . 3]"
150 PSI 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 PHE N 60.00 180.00 142.48 124.91 153.92 . . 0 "[ . 1 . 2 . 3]"
151 PSI 1 36 PHE N 1 36 PHE CA 1 36 PHE C 1 37 GLY N 60.00 180.00 101.01 47.28 34.96 54.55 1 4 "[+ . 1 . - 2 * . * 3]"
152 PSI 1 37 GLY N 1 37 GLY CA 1 37 GLY C 1 38 PHE N 60.00 180.00 168.74 158.83 146.58 38.80 14 9 "[ - *.* 1***+. * 2 . * 3]"
153 PSI 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 THR N 60.00 180.00 105.41 59.78 135.68 0.22 8 0 "[ . 1 . 2 . 3]"
154 PSI 1 69 THR N 1 69 THR CA 1 69 THR C 1 70 PRO N 60.00 180.00 113.49 83.88 141.84 . . 0 "[ . 1 . 2 . 3]"
155 PSI 1 70 PRO N 1 70 PRO CA 1 70 PRO C 1 71 LEU N 60.00 180.00 129.05 102.76 147.65 . . 0 "[ . 1 . 2 . 3]"
156 PSI 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 PHE N 60.00 180.00 115.17 103.83 100.45 . . 0 "[ . 1 . 2 . 3]"
157 PSI 1 72 PHE N 1 72 PHE CA 1 72 PHE C 1 73 ILE N 60.00 180.00 123.72 101.84 142.60 . . 0 "[ . 1 . 2 . 3]"
158 PSI 1 73 ILE N 1 73 ILE CA 1 73 ILE C 1 74 SER N 60.00 180.00 125.99 127.15 125.42 . . 0 "[ . 1 . 2 . 3]"
159 PSI 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 GLY N 60.00 180.00 131.51 137.66 136.35 . . 0 "[ . 1 . 2 . 3]"
160 PSI 1 98 GLY N 1 98 GLY CA 1 98 GLY C 1 99 LEU N 60.00 180.00 119.57 83.07 154.84 . . 0 "[ . 1 . 2 . 3]"
161 PSI 1 99 LEU N 1 99 LEU CA 1 99 LEU C 1 100 THR N 60.00 180.00 137.87 137.94 133.42 . . 0 "[ . 1 . 2 . 3]"
162 PSI 1 102 THR N 1 102 THR CA 1 102 THR C 1 103 ARG N 60.00 180.00 160.90 -174.67 178.86 5.33 2 1 "[ + . 1 . 2 . 3]"
163 PSI 1 136 MET N 1 136 MET CA 1 136 MET C 1 137 TYR N 60.00 180.00 135.47 140.69 138.05 . . 0 "[ . 1 . 2 . 3]"
164 PSI 1 137 TYR N 1 137 TYR CA 1 137 TYR C 1 138 LEU N 60.00 180.00 137.69 124.04 149.40 . . 0 "[ . 1 . 2 . 3]"
165 PSI 1 138 LEU N 1 138 LEU CA 1 138 LEU C 1 139 ILE N 60.00 180.00 124.78 126.11 123.78 . . 0 "[ . 1 . 2 . 3]"
166 PSI 1 139 ILE N 1 139 ILE CA 1 139 ILE C 1 140 GLY N 60.00 180.00 139.67 127.93 152.31 . . 0 "[ . 1 . 2 . 3]"
167 PSI 1 147 ASP N 1 147 ASP CA 1 147 ASP C 1 148 TYR N 60.00 180.00 162.39 139.05 173.81 . . 0 "[ . 1 . 2 . 3]"
168 PSI 1 148 TYR N 1 148 TYR CA 1 148 TYR C 1 149 PHE N 60.00 180.00 135.36 152.12 150.47 . . 0 "[ . 1 . 2 . 3]"
169 PSI 1 149 PHE N 1 149 PHE CA 1 149 PHE C 1 150 GLY N 60.00 180.00 142.52 87.59 -165.95 14.05 12 2 "[ . 1 + .- 2 . 3]"
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