NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
533462 |
2ky4   |
16934 | cing | 2-parsed | STAR | dipolar coupling | 131 |
data_2ky4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ky4
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2ky4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ky4
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2ky4 "Master copy" parsed_2ky4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ky4
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2ky4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ky4 1
1 2ky4.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 158 parsed_2ky4 1
1 2ky4.mr . . DYANA/DIANA 3 "dipolar coupling" "Not applicable" "Not applicable" 131 parsed_2ky4 1
1 2ky4.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ky4 1
1 2ky4.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ky4 1
1 2ky4.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2ky4 1
1 2ky4.mr . . XPLOR/CNS 7 distance NOE simple 0 parsed_2ky4 1
1 2ky4.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ky4 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ky4
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . -7.303 . . 4.134 . . 3 VAL H . 3 VAL N parsed_2ky4 1
2 . . . . . . . . . . . . . . . . -11.344 . . 4.134 . . 6 ARG H . 6 ARG N parsed_2ky4 1
3 . . . . . . . . . . . . . . . . 7.226 . . 4.134 . . 7 VAL H . 7 VAL N parsed_2ky4 1
4 . . . . . . . . . . . . . . . . -4.101 . . 4.134 . . 8 ALA H . 8 ALA N parsed_2ky4 1
5 . . . . . . . . . . . . . . . . -2.626 . . 4.134 . . 9 GLY H . 9 GLY N parsed_2ky4 1
6 . . . . . . . . . . . . . . . . -4.172 . . 4.134 . . 11 LYS H . 11 LYS N parsed_2ky4 1
7 . . . . . . . . . . . . . . . . -1.597 . . 4.134 . . 12 ASP H . 12 ASP N parsed_2ky4 1
8 . . . . . . . . . . . . . . . . -17.089 . . 4.134 . . 13 LYS H . 13 LYS N parsed_2ky4 1
9 . . . . . . . . . . . . . . . . -11.024 . . 4.134 . . 14 ALA H . 14 ALA N parsed_2ky4 1
10 . . . . . . . . . . . . . . . . -8.803 . . 4.134 . . 15 ALA H . 15 ALA N parsed_2ky4 1
11 . . . . . . . . . . . . . . . . -13.112 . . 4.134 . . 16 ILE H . 16 ILE N parsed_2ky4 1
12 . . . . . . . . . . . . . . . . -14.210 . . 4.134 . . 18 THR H . 18 THR N parsed_2ky4 1
13 . . . . . . . . . . . . . . . . -15.783 . . 4.134 . . 19 LEU H . 19 LEU N parsed_2ky4 1
14 . . . . . . . . . . . . . . . . -10.631 . . 4.134 . . 22 ALA H . 22 ALA N parsed_2ky4 1
15 . . . . . . . . . . . . . . . . 4.981 . . 4.134 . . 31 ASP H . 31 ASP N parsed_2ky4 1
16 . . . . . . . . . . . . . . . . 12.605 . . 4.134 . . 32 ILE H . 32 ILE N parsed_2ky4 1
17 . . . . . . . . . . . . . . . . -6.758 . . 4.134 . . 33 ALA H . 33 ALA N parsed_2ky4 1
18 . . . . . . . . . . . . . . . . 12.157 . . 4.134 . . 38 GLN H . 38 GLN N parsed_2ky4 1
19 . . . . . . . . . . . . . . . . 8.677 . . 4.134 . . 41 PHE H . 41 PHE N parsed_2ky4 1
20 . . . . . . . . . . . . . . . . -3.877 . . 4.134 . . 43 GLY H . 43 GLY N parsed_2ky4 1
21 . . . . . . . . . . . . . . . . 9.157 . . 4.134 . . 44 TRP H . 44 TRP N parsed_2ky4 1
22 . . . . . . . . . . . . . . . . 11.605 . . 4.134 . . 45 GLU H . 45 GLU N parsed_2ky4 1
23 . . . . . . . . . . . . . . . . 6.672 . . 4.134 . . 49 GLY H . 49 GLY N parsed_2ky4 1
24 . . . . . . . . . . . . . . . . 11.487 . . 4.134 . . 51 GLY H . 51 GLY N parsed_2ky4 1
25 . . . . . . . . . . . . . . . . -3.895 . . 4.134 . . 53 ILE H . 53 ILE N parsed_2ky4 1
26 . . . . . . . . . . . . . . . . -7.819 . . 4.134 . . 54 THR H . 54 THR N parsed_2ky4 1
27 . . . . . . . . . . . . . . . . 7.406 . . 4.134 . . 56 LYS H . 56 LYS N parsed_2ky4 1
28 . . . . . . . . . . . . . . . . -3.206 . . 4.134 . . 57 GLU H . 57 GLU N parsed_2ky4 1
29 . . . . . . . . . . . . . . . . 2.592 . . 4.134 . . 58 PHE H . 58 PHE N parsed_2ky4 1
30 . . . . . . . . . . . . . . . . 5.154 . . 4.134 . . 63 GLY H . 63 GLY N parsed_2ky4 1
31 . . . . . . . . . . . . . . . . 5.216 . . 4.134 . . 65 SER H . 65 SER N parsed_2ky4 1
32 . . . . . . . . . . . . . . . . 1.474 . . 4.134 . . 68 TYR H . 68 TYR N parsed_2ky4 1
33 . . . . . . . . . . . . . . . . -14.758 . . 4.134 . . 70 LYS H . 70 LYS N parsed_2ky4 1
34 . . . . . . . . . . . . . . . . -2.699 . . 4.134 . . 71 GLU H . 71 GLU N parsed_2ky4 1
35 . . . . . . . . . . . . . . . . -4.037 . . 4.134 . . 72 PHE H . 72 PHE N parsed_2ky4 1
36 . . . . . . . . . . . . . . . . -18.486 . . 4.134 . . 74 THR H . 74 THR N parsed_2ky4 1
37 . . . . . . . . . . . . . . . . -8.243 . . 4.134 . . 79 THR H . 79 THR N parsed_2ky4 1
38 . . . . . . . . . . . . . . . . 3.070 . . 4.134 . . 80 LYS H . 80 LYS N parsed_2ky4 1
39 . . . . . . . . . . . . . . . . -10.582 . . 4.134 . . 81 VAL H . 81 VAL N parsed_2ky4 1
40 . . . . . . . . . . . . . . . . -0.228 . . 4.134 . . 83 GLU H . 83 GLU N parsed_2ky4 1
41 . . . . . . . . . . . . . . . . -0.501 . . 4.134 . . 84 LEU H . 84 LEU N parsed_2ky4 1
42 . . . . . . . . . . . . . . . . -18.117 . . 4.134 . . 85 GLY H . 85 GLY N parsed_2ky4 1
43 . . . . . . . . . . . . . . . . -13.304 . . 4.134 . . 86 THR H . 86 THR N parsed_2ky4 1
44 . . . . . . . . . . . . . . . . -4.429 . . 4.134 . . 87 LYS H . 87 LYS N parsed_2ky4 1
45 . . . . . . . . . . . . . . . . -7.400 . . 4.134 . . 88 HIS H . 88 HIS N parsed_2ky4 1
46 . . . . . . . . . . . . . . . . -15.944 . . 4.134 . . 89 PHE H . 89 PHE N parsed_2ky4 1
47 . . . . . . . . . . . . . . . . 1.372 . . 4.134 . . 93 ALA H . 93 ALA N parsed_2ky4 1
48 . . . . . . . . . . . . . . . . 6.559 . . 4.134 . . 95 ILE H . 95 ILE N parsed_2ky4 1
49 . . . . . . . . . . . . . . . . 1.005 . . 4.134 . . 96 ASP H . 96 ASP N parsed_2ky4 1
50 . . . . . . . . . . . . . . . . 3.358 . . 4.134 . . 98 ALA H . 98 ALA N parsed_2ky4 1
51 . . . . . . . . . . . . . . . . 3.034 . . 4.134 . . 99 GLU H . 99 GLU N parsed_2ky4 1
52 . . . . . . . . . . . . . . . . 1.385 . . 4.134 . . 101 ARG H . 101 ARG N parsed_2ky4 1
53 . . . . . . . . . . . . . . . . 2.741 . . 4.134 . . 102 LYS H . 102 LYS N parsed_2ky4 1
54 . . . . . . . . . . . . . . . . 4.837 . . 4.134 . . 103 TYR H . 103 TYR N parsed_2ky4 1
55 . . . . . . . . . . . . . . . . -0.290 . . 4.134 . . 104 ASN H . 104 ASN N parsed_2ky4 1
56 . . . . . . . . . . . . . . . . 3.622 . . 4.134 . . 106 ILE H . 106 ILE N parsed_2ky4 1
57 . . . . . . . . . . . . . . . . 2.959 . . 4.134 . . 107 LEU H . 107 LEU N parsed_2ky4 1
58 . . . . . . . . . . . . . . . . 5.247 . . 4.134 . . 109 THR H . 109 THR N parsed_2ky4 1
59 . . . . . . . . . . . . . . . . 5.236 . . 4.134 . . 110 GLN H . 110 GLN N parsed_2ky4 1
60 . . . . . . . . . . . . . . . . 4.385 . . 4.134 . . 112 ILE H . 112 ILE N parsed_2ky4 1
61 . . . . . . . . . . . . . . . . 2.838 . . 4.134 . . 114 ALA H . 114 ALA N parsed_2ky4 1
62 . . . . . . . . . . . . . . . . 11.405 . . 4.134 . . 115 PHE H . 115 PHE N parsed_2ky4 1
63 . . . . . . . . . . . . . . . . 4.621 . . 4.134 . . 117 ASN H . 117 ASN N parsed_2ky4 1
64 . . . . . . . . . . . . . . . . 9.213 . . 4.134 . . 119 LEU H . 119 LEU N parsed_2ky4 1
65 . . . . . . . . . . . . . . . . -18.560 . . 4.134 . . 127 GLU H . 127 GLU N parsed_2ky4 1
66 . . . . . . . . . . . . . . . . -6.563 . . 4.134 . . 128 VAL H . 128 VAL N parsed_2ky4 1
67 . . . . . . . . . . . . . . . . -9.926 . . 4.134 . . 134 VAL H . 134 VAL N parsed_2ky4 1
68 . . . . . . . . . . . . . . . . 2.789 . . 6.052 . . 6 ARG H . 6 ARG N parsed_2ky4 1
69 . . . . . . . . . . . . . . . . -11.897 . . 6.052 . . 7 VAL H . 7 VAL N parsed_2ky4 1
70 . . . . . . . . . . . . . . . . 1.337 . . 6.052 . . 8 ALA H . 8 ALA N parsed_2ky4 1
71 . . . . . . . . . . . . . . . . -2.875 . . 6.052 . . 9 GLY H . 9 GLY N parsed_2ky4 1
72 . . . . . . . . . . . . . . . . 2.953 . . 6.052 . . 11 LYS H . 11 LYS N parsed_2ky4 1
73 . . . . . . . . . . . . . . . . 27.969 . . 6.052 . . 13 LYS H . 13 LYS N parsed_2ky4 1
74 . . . . . . . . . . . . . . . . 24.786 . . 6.052 . . 15 ALA H . 15 ALA N parsed_2ky4 1
75 . . . . . . . . . . . . . . . . 22.243 . . 6.052 . . 18 THR H . 18 THR N parsed_2ky4 1
76 . . . . . . . . . . . . . . . . 35.892 . . 6.052 . . 19 LEU H . 19 LEU N parsed_2ky4 1
77 . . . . . . . . . . . . . . . . 25.923 . . 6.052 . . 22 ALA H . 22 ALA N parsed_2ky4 1
78 . . . . . . . . . . . . . . . . 38.210 . . 6.052 . . 23 ALA H . 23 ALA N parsed_2ky4 1
79 . . . . . . . . . . . . . . . . 24.765 . . 6.052 . . 25 ARG H . 25 ARG N parsed_2ky4 1
80 . . . . . . . . . . . . . . . . -11.750 . . 6.052 . . 29 GLU H . 29 GLU N parsed_2ky4 1
81 . . . . . . . . . . . . . . . . -9.528 . . 6.052 . . 32 ILE H . 32 ILE N parsed_2ky4 1
82 . . . . . . . . . . . . . . . . -18.520 . . 6.052 . . 38 GLN H . 38 GLN N parsed_2ky4 1
83 . . . . . . . . . . . . . . . . -22.310 . . 6.052 . . 41 PHE H . 41 PHE N parsed_2ky4 1
84 . . . . . . . . . . . . . . . . -6.439 . . 6.052 . . 44 TRP H . 44 TRP N parsed_2ky4 1
85 . . . . . . . . . . . . . . . . -17.036 . . 6.052 . . 45 GLU H . 45 GLU N parsed_2ky4 1
86 . . . . . . . . . . . . . . . . -14.418 . . 6.052 . . 49 GLY H . 49 GLY N parsed_2ky4 1
87 . . . . . . . . . . . . . . . . 2.258 . . 6.052 . . 50 ASN H . 50 ASN N parsed_2ky4 1
88 . . . . . . . . . . . . . . . . -0.974 . . 6.052 . . 51 GLY H . 51 GLY N parsed_2ky4 1
89 . . . . . . . . . . . . . . . . -15.972 . . 6.052 . . 53 ILE H . 53 ILE N parsed_2ky4 1
90 . . . . . . . . . . . . . . . . -7.045 . . 6.052 . . 54 THR H . 54 THR N parsed_2ky4 1
91 . . . . . . . . . . . . . . . . -7.461 . . 6.052 . . 56 LYS H . 56 LYS N parsed_2ky4 1
92 . . . . . . . . . . . . . . . . 12.122 . . 6.052 . . 57 GLU H . 57 GLU N parsed_2ky4 1
93 . . . . . . . . . . . . . . . . -5.248 . . 6.052 . . 58 PHE H . 58 PHE N parsed_2ky4 1
94 . . . . . . . . . . . . . . . . 1.316 . . 6.052 . . 60 GLU H . 60 GLU N parsed_2ky4 1
95 . . . . . . . . . . . . . . . . 9.205 . . 6.052 . . 61 GLY H . 61 GLY N parsed_2ky4 1
96 . . . . . . . . . . . . . . . . -5.687 . . 6.052 . . 63 GLY H . 63 GLY N parsed_2ky4 1
97 . . . . . . . . . . . . . . . . -10.614 . . 6.052 . . 65 SER H . 65 SER N parsed_2ky4 1
98 . . . . . . . . . . . . . . . . 17.025 . . 6.052 . . 68 TYR H . 68 TYR N parsed_2ky4 1
99 . . . . . . . . . . . . . . . . 37.779 . . 6.052 . . 70 LYS H . 70 LYS N parsed_2ky4 1
100 . . . . . . . . . . . . . . . . 23.161 . . 6.052 . . 71 GLU H . 71 GLU N parsed_2ky4 1
101 . . . . . . . . . . . . . . . . 22.026 . . 6.052 . . 72 PHE H . 72 PHE N parsed_2ky4 1
102 . . . . . . . . . . . . . . . . 0.600 . . 6.052 . . 78 ASN H . 78 ASN N parsed_2ky4 1
103 . . . . . . . . . . . . . . . . 16.200 . . 6.052 . . 79 THR H . 79 THR N parsed_2ky4 1
104 . . . . . . . . . . . . . . . . -6.266 . . 6.052 . . 80 LYS H . 80 LYS N parsed_2ky4 1
105 . . . . . . . . . . . . . . . . 12.163 . . 6.052 . . 83 GLU H . 83 GLU N parsed_2ky4 1
106 . . . . . . . . . . . . . . . . 0.792 . . 6.052 . . 84 LEU H . 84 LEU N parsed_2ky4 1
107 . . . . . . . . . . . . . . . . 20.560 . . 6.052 . . 85 GLY H . 85 GLY N parsed_2ky4 1
108 . . . . . . . . . . . . . . . . 27.015 . . 6.052 . . 86 THR H . 86 THR N parsed_2ky4 1
109 . . . . . . . . . . . . . . . . 12.017 . . 6.052 . . 87 LYS H . 87 LYS N parsed_2ky4 1
110 . . . . . . . . . . . . . . . . -2.236 . . 6.052 . . 88 HIS H . 88 HIS N parsed_2ky4 1
111 . . . . . . . . . . . . . . . . 23.236 . . 6.052 . . 89 PHE H . 89 PHE N parsed_2ky4 1
112 . . . . . . . . . . . . . . . . -10.453 . . 6.052 . . 93 ALA H . 93 ALA N parsed_2ky4 1
113 . . . . . . . . . . . . . . . . 0.001 . . 6.052 . . 95 ILE H . 95 ILE N parsed_2ky4 1
114 . . . . . . . . . . . . . . . . 7.270 . . 6.052 . . 96 ASP H . 96 ASP N parsed_2ky4 1
115 . . . . . . . . . . . . . . . . 18.033 . . 6.052 . . 97 GLN H . 97 GLN N parsed_2ky4 1
116 . . . . . . . . . . . . . . . . -5.965 . . 6.052 . . 98 ALA H . 98 ALA N parsed_2ky4 1
117 . . . . . . . . . . . . . . . . 3.388 . . 6.052 . . 101 ARG H . 101 ARG N parsed_2ky4 1
118 . . . . . . . . . . . . . . . . -3.431 . . 6.052 . . 103 TYR H . 103 TYR N parsed_2ky4 1
119 . . . . . . . . . . . . . . . . 6.874 . . 6.052 . . 104 ASN H . 104 ASN N parsed_2ky4 1
120 . . . . . . . . . . . . . . . . -11.223 . . 6.052 . . 106 ILE H . 106 ILE N parsed_2ky4 1
121 . . . . . . . . . . . . . . . . 1.304 . . 6.052 . . 107 LEU H . 107 LEU N parsed_2ky4 1
122 . . . . . . . . . . . . . . . . -11.171 . . 6.052 . . 109 THR H . 109 THR N parsed_2ky4 1
123 . . . . . . . . . . . . . . . . -6.051 . . 6.052 . . 110 GLN H . 110 GLN N parsed_2ky4 1
124 . . . . . . . . . . . . . . . . -13.479 . . 6.052 . . 112 ILE H . 112 ILE N parsed_2ky4 1
125 . . . . . . . . . . . . . . . . -4.809 . . 6.052 . . 114 ALA H . 114 ALA N parsed_2ky4 1
126 . . . . . . . . . . . . . . . . -14.897 . . 6.052 . . 115 PHE H . 115 PHE N parsed_2ky4 1
127 . . . . . . . . . . . . . . . . -14.990 . . 6.052 . . 116 ILE H . 116 ILE N parsed_2ky4 1
128 . . . . . . . . . . . . . . . . -10.912 . . 6.052 . . 117 ASN H . 117 ASN N parsed_2ky4 1
129 . . . . . . . . . . . . . . . . -13.504 . . 6.052 . . 119 LEU H . 119 LEU N parsed_2ky4 1
130 . . . . . . . . . . . . . . . . 12.369 . . 6.052 . . 123 GLN H . 123 GLN N parsed_2ky4 1
131 . . . . . . . . . . . . . . . . 20.216 . . 6.052 . . 127 GLU H . 127 GLU N parsed_2ky4 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "Orientation Magnitude Rhombicity ORI residue number" 1 1 1 55 parsed_2ky4 1
2 "1: PAAG" 2 1 2 9 parsed_2ky4 1
3 "2: PEG" 3 1 3 8 parsed_2ky4 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 "1 -9.77 0.36 156" 4 8 4 47 parsed_2ky4 1
2
;
2 18.46 0.20 163
# First atom Second atom RDC Error Weight Orientation
;
5 8 6 73 parsed_2ky4 1
3 1 7 63 7 64 parsed_2ky4 1
4 1 8 63 8 64 parsed_2ky4 1
5 1 9 63 9 64 parsed_2ky4 1
6 1 10 63 10 64 parsed_2ky4 1
7 1 11 63 11 64 parsed_2ky4 1
8 1 12 63 12 64 parsed_2ky4 1
9 1 13 63 13 64 parsed_2ky4 1
10 1 14 63 14 64 parsed_2ky4 1
11 1 15 63 15 64 parsed_2ky4 1
12 1 16 63 16 64 parsed_2ky4 1
13 1 17 63 17 64 parsed_2ky4 1
14 1 18 63 18 64 parsed_2ky4 1
15 1 19 63 19 64 parsed_2ky4 1
16
;
1
# viol 23 ALA H 23 ALA N -2.367 4.134 1.000 1
## 24 TYR H 24 TYR N 0.000 4.134 1.000 1
# viol 25 ARG H 25 ARG N -4.064 4.134 1.000 1
## 26 GLN H 26 GLN N 0.000 4.134 1.000 1
## 27 ILE H 27 ILE N 0.000 4.134 1.000 1
## 28 PHE H 28 PHE N 0.000 4.134 1.000 1
# viol 29 GLU H 29 GLU N 20.669 4.134 1.000 1
;
20 63 27 70 parsed_2ky4 1
17 1 28 63 28 64 parsed_2ky4 1
18 1 29 63 29 64 parsed_2ky4 1
19 1 30 63 30 64 parsed_2ky4 1
20
;
1
## 40 GLU H 40 GLU N 0.000 4.134 1.000 1
;
31 63 32 67 parsed_2ky4 1
21 1 33 63 33 64 parsed_2ky4 1
22 1 34 63 34 64 parsed_2ky4 1
23
;
1
## 44 TRP HE1 44 TRP NE1 0.000 4.134 1.000 1
;
35 63 36 67 parsed_2ky4 1
24
;
1
# viol 46 SER H 46 SER N 8.760 4.134 1.000 1
# viol 48 LEU H 48 LEU N 13.555 4.134 1.000 1
;
37 63 39 70 parsed_2ky4 1
25
;
1
## 50 ASN H 50 ASN N 0.000 4.134 1.000 1
;
40 63 41 67 parsed_2ky4 1
26 1 42 63 42 64 parsed_2ky4 1
27 1 43 63 43 64 parsed_2ky4 1
28 1 44 63 44 64 parsed_2ky4 1
29 1 45 63 45 64 parsed_2ky4 1
30 1 46 63 46 64 parsed_2ky4 1
31
;
1
## 59 ILE H 59 ILE N 0.000 4.134 1.000 1
## 60 GLU H 60 GLU N 0.000 4.134 1.000 1
## 61 GLY H 61 GLY N 0.000 4.134 1.000 1
## 62 LEU H 62 LEU N 0.000 4.134 1.000 1
;
47 63 51 67 parsed_2ky4 1
32 1 52 63 52 64 parsed_2ky4 1
33 1 53 63 53 64 parsed_2ky4 1
34
;
1
# overlap 69 LEU H 69 LEU N -9.401 4.134 1.000 1
;
54 63 55 73 parsed_2ky4 1
35 1 56 63 56 64 parsed_2ky4 1
36 1 57 63 57 64 parsed_2ky4 1
37 1 58 63 58 64 parsed_2ky4 1
38
;
1
## 78 ASN H 78 ASN N 0.000 4.134 1.000 1
;
59 63 60 67 parsed_2ky4 1
39 1 61 63 61 64 parsed_2ky4 1
40 1 62 63 62 64 parsed_2ky4 1
41 1 63 63 63 64 parsed_2ky4 1
42 1 64 63 64 64 parsed_2ky4 1
43 1 65 63 65 64 parsed_2ky4 1
44 1 66 63 66 64 parsed_2ky4 1
45 1 67 63 67 64 parsed_2ky4 1
46 1 68 63 68 64 parsed_2ky4 1
47 1 69 63 69 64 parsed_2ky4 1
48
;
1
# viol 90 LEU H 90 LEU N 4.685 4.134 1.000 1
# viol 91 GLY H 91 GLY N 10.987 4.134 1.000 1
;
70 63 72 70 parsed_2ky4 1
49 1 73 63 73 64 parsed_2ky4 1
50 1 74 63 74 64 parsed_2ky4 1
51
;
1
## 97 GLN H 97 GLN N 0.000 4.134 1.000 1
;
75 63 76 67 parsed_2ky4 1
52 1 77 63 77 64 parsed_2ky4 1
53 1 78 63 78 64 parsed_2ky4 1
54 1 79 63 79 64 parsed_2ky4 1
55 1 80 63 80 64 parsed_2ky4 1
56 1 81 63 81 64 parsed_2ky4 1
57 1 82 63 82 64 parsed_2ky4 1
58 1 83 63 83 64 parsed_2ky4 1
59
;
1
# overlap 108 ALA H 108 ALA N 4.060 4.134 1.000 1
;
84 63 85 73 parsed_2ky4 1
60 1 86 63 86 64 parsed_2ky4 1
61
;
1
# viol 111 GLY H 111 GLY N -12.008 4.134 1.000 1
;
87 63 88 70 parsed_2ky4 1
62 1 89 63 89 64 parsed_2ky4 1
63 1 90 63 90 64 parsed_2ky4 1
64
;
1
## 116 ILE H 116 ILE N 0.000 4.134 1.000 1
;
91 63 92 67 parsed_2ky4 1
65 1 93 63 93 64 parsed_2ky4 1
66
;
1
## 123 GLN H 123 GLN N 0.000 4.134 1.000 1
## 124 GLU H 124 GLU N 0.000 4.134 1.000 1
## 126 ASN H 126 ASN N 0.000 4.134 1.000 1
;
94 63 97 67 parsed_2ky4 1
67 1 98 63 98 64 parsed_2ky4 1
68
;
1
# viol 130 GLY H 130 GLY N -20.669 4.134 1.000 1
# viol 132 ASP H 132 ASP N 4.698 4.134 1.000 1
;
99 63 101 70 parsed_2ky4 1
69
;
1
## 138 ARG H 138 ARG N 0.000 4.134 1.000 1
#flex 139 PHE H 139 PHE N 3.811 4.134 1.000 1
#flex 141 THR H 141 THR N 3.423 4.134 1.000 1
#flex 142 LEU H 142 LEU N 0.262 4.134 1.000 1
#flex 143 GLU H 143 GLU N -0.707 4.134 1.000 1
# flex 3 VAL H 3 VAL N -0.909 6.052 1.000 2
;
102 63 108 70 parsed_2ky4 1
70 2 109 63 109 64 parsed_2ky4 1
71 2 110 63 110 64 parsed_2ky4 1
72 2 111 63 111 64 parsed_2ky4 1
73 2 112 63 112 64 parsed_2ky4 1
74
;
2
## 12 ASP H 12 ASP N 0.000 6.052 1.000 2
;
113 63 114 67 parsed_2ky4 1
75
;
2
## 14 ALA H 14 ALA N 0.000 6.052 1.000 2
;
115 63 116 67 parsed_2ky4 1
76
;
2
## 16 ILE H 16 ILE N 0.000 6.052 1.000 2
;
117 63 118 67 parsed_2ky4 1
77 2 119 63 119 64 parsed_2ky4 1
78 2 120 63 120 64 parsed_2ky4 1
79 2 121 63 121 64 parsed_2ky4 1
80
;
2
## 24 TYR H 24 TYR N 0.000 6.052 1.000 2
;
122 63 123 67 parsed_2ky4 1
81
;
2
## 26 GLN H 26 GLN N 0.000 6.052 1.000 2
## 27 ILE H 27 ILE N 0.000 6.052 1.000 2
## 28 PHE H 28 PHE N 0.000 6.052 1.000 2
;
124 63 127 67 parsed_2ky4 1
82
;
2
## 31 ASP H 31 ASP N 0.000 6.052 1.000 2
;
128 63 129 67 parsed_2ky4 1
83
;
2
# viol 33 ALA H 33 ALA N 16.583 6.052 1.000 2
;
130 63 131 70 parsed_2ky4 1
84
;
2
## 40 GLU H 40 GLU N 0.000 6.052 1.000 2
;
132 63 133 67 parsed_2ky4 1
85
;
2
# viol 43 GLY H 43 GLY N -1.664 6.052 1.000 2
;
134 63 135 70 parsed_2ky4 1
86
;
2
## 44 TRP HE1 44 TRP NE1 0.000 6.052 1.000 2
;
136 63 137 67 parsed_2ky4 1
87
;
2
# viol 46 SER H 46 SER N -8.370 6.052 1.000 2
# viol 48 LEU H 48 LEU N -12.795 6.052 1.000 2
;
138 63 140 70 parsed_2ky4 1
88 2 141 63 141 64 parsed_2ky4 1
89 2 142 63 142 64 parsed_2ky4 1
90 2 143 63 143 64 parsed_2ky4 1
91 2 144 63 144 64 parsed_2ky4 1
92 2 145 63 145 64 parsed_2ky4 1
93 2 146 63 146 64 parsed_2ky4 1
94 2 147 63 147 64 parsed_2ky4 1
95
;
2
## 59 ILE H 59 ILE N 0.000 6.052 1.000 2
;
148 63 149 67 parsed_2ky4 1
96 2 150 63 150 64 parsed_2ky4 1
97
;
2
## 62 LEU H 62 LEU N 0.000 6.052 1.000 2
;
151 63 152 67 parsed_2ky4 1
98 2 153 63 153 64 parsed_2ky4 1
99 2 154 63 154 64 parsed_2ky4 1
100
;
2
## 69 LEU H 69 LEU N 0.000 6.052 1.000 2
;
155 63 156 67 parsed_2ky4 1
101 2 157 63 157 64 parsed_2ky4 1
102 2 158 63 158 64 parsed_2ky4 1
103
;
2
# viol 74 THR H 74 THR N 37.445 6.052 1.000 2
;
159 63 160 70 parsed_2ky4 1
104 2 161 63 161 64 parsed_2ky4 1
105 2 162 63 162 64 parsed_2ky4 1
106
;
2
## 81 VAL H 81 VAL N 0.000 6.052 1.000 2
;
163 63 164 67 parsed_2ky4 1
107 2 165 63 165 64 parsed_2ky4 1
108 2 166 63 166 64 parsed_2ky4 1
109 2 167 63 167 64 parsed_2ky4 1
110 2 168 63 168 64 parsed_2ky4 1
111 2 169 63 169 64 parsed_2ky4 1
112 2 170 63 170 64 parsed_2ky4 1
113
;
2
# viol 90 LEU H 90 LEU N 7.927 6.052 1.000 2
# viol 91 GLY H 91 GLY N -11.760 6.052 1.000 2
;
171 63 173 70 parsed_2ky4 1
114 2 174 63 174 64 parsed_2ky4 1
115 2 175 63 175 64 parsed_2ky4 1
116 2 176 63 176 64 parsed_2ky4 1
117 2 177 63 177 64 parsed_2ky4 1
118
;
2
## 99 GLU H 99 GLU N 0.000 6.052 1.000 2
;
178 63 179 67 parsed_2ky4 1
119
;
2
## 102 LYS H 102 LYS N 0.000 6.052 1.000 2
;
180 63 181 67 parsed_2ky4 1
120 2 182 63 182 64 parsed_2ky4 1
121 2 183 63 183 64 parsed_2ky4 1
122 2 184 63 184 64 parsed_2ky4 1
123
;
2
# overlap 108 ALA H 108 ALA N -4.076 6.052 1.000 2
;
185 63 186 73 parsed_2ky4 1
124 2 187 63 187 64 parsed_2ky4 1
125
;
2
# viol 111 GLY H 111 GLY N 27.018 6.052 1.000 2
;
188 63 189 70 parsed_2ky4 1
126 2 190 63 190 64 parsed_2ky4 1
127 2 191 63 191 64 parsed_2ky4 1
128 2 192 63 192 64 parsed_2ky4 1
129 2 193 63 193 64 parsed_2ky4 1
130 2 194 63 194 64 parsed_2ky4 1
131 2 195 63 195 64 parsed_2ky4 1
132
;
2
## 124 GLU H 124 GLU N 0.000 6.052 1.000 2
## 126 ASN H 126 ASN N 0.000 6.052 1.000 2
;
196 63 198 67 parsed_2ky4 1
133
;
2
## 128 VAL H 128 VAL N 0.000 6.052 1.000 2
# viol 130 GLY H 130 GLY N 27.798 6.052 1.000 2
# viol 132 ASP H 132 ASP N -9.364 6.052 1.000 2
# flex 134 VAL H 134 VAL N -0.769 6.052 1.000 2
# flex 139 PHE H 139 PHE N -1.667 6.052 1.000 2
## 138 ARG H 138 ARG N 0.000 6.052 1.000 2
# flex 141 THR H 141 THR N -10.181 6.052 1.000 2
# flex 142 LEU H 142 LEU N -3.300 6.052 1.000 2
# flex 143 GLU H 143 GLU N 0.301 6.052 1.000 2
;
199 63 208 70 parsed_2ky4 1
stop_
save_
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