Properties

Disulfide bonds

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Non-standard residues

Sequence alignments

• Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10-----
GGAGAGXGGAACUCC
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GGAGAGXGGAACUCC

Chain assignments

Content subtype: combined_19873_2mn0.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 100.0%

     --------10-----
     GGAGAGXGGAACUCC
     |||||||||||||||
     GGAGAGXGGAACUCC
     

   • Total number of assignments
     • ¹H chemical shifts: 110
     • ¹³C chemical shifts: 94
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         7	H2U

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	119	102	85.7
         13C chemical shifts	92	89	96.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	84	80	95.2
         13C chemical shifts	70	67	95.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	35	22	62.9
         13C chemical shifts	22	22	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	14	100.0
         13C chemical shifts	14	14	100.0

   • Histogram of normalized assigned chemical shifts

Covalent bonds

1. Saveframe: assembly
   • Status: OK

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 66.7%

     --------10-----
     GGAGAGXGGAACUCC
     ||||     ||||||
     GGAG.....AACUCC
     

   • Total number of restraints: 45
     • Intra-residue restraints, i = j : 1
     • Sequential restraints, | i - j | = 1 : 5
       • Backbone-side chain: 2
       • Side chain-side chain: 3
     • Long range restraints, | i - j | >= 5 : 10
     • Total hydrogen bond restraints: 29
   • Weight of restraints: 1.0 (45)
     • Intra-residue restraints, i = j : 1.0 (1)
     • Sequential restraints, | i - j | = 1 : 1.0 (5)
       • Backbone-side chain: 1.0 (2)
       • Side chain-side chain: 1.0 (3)
     • Long range restraints, | i - j | >= 5 : 1.0 (10)
     • Total hydrogen bond restraints: 1.0 (29)
   • Potential type of restraints: square-well-parabolic (45)
     • Intra-residue restraints, i = j : square-well-parabolic (1)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (5)
       • Backbone-side chain: square-well-parabolic (2)
       • Side chain-side chain: square-well-parabolic (3)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (10)
     • Total hydrogen bond restraints: square-well-parabolic (29)
   • Range of distance target values: 1.71, 5.0 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A
   • Saveframe: CNS/XPLOR_distance_constraints_4
     • Status: Warning
     • Experiment type: noe
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 100.0%

       --------10-----
       GGAGAGXGGAACUCC
       |||||||||||||||
       GGAGAGXGGAACUCC
       

     • Total number of restraints: 246
       • Intra-residue restraints, i = j : 178
       • Sequential restraints, | i - j | = 1 : 58
         • Backbone-side chain: 46
         • Side chain-side chain: 12
       • Long range restraints, | i - j | >= 5 : 10
     • Weight of restraints: 1.0 (246)
       • Intra-residue restraints, i = j : 1.0 (178)
       • Sequential restraints, | i - j | = 1 : 1.0 (58)
         • Backbone-side chain: 1.0 (46)
         • Side chain-side chain: 1.0 (12)
       • Long range restraints, | i - j | >= 5 : 1.0 (10)
     • Potential type of restraints: square-well-parabolic (246)
       • Intra-residue restraints, i = j : square-well-parabolic (178)
       • Sequential restraints, | i - j | = 1 : square-well-parabolic (58)
         • Backbone-side chain: square-well-parabolic (46)
         • Side chain-side chain: square-well-parabolic (12)
       • Long range restraints, | i - j | >= 5 : square-well-parabolic (10)
     • Range of distance target values: 2.25, 3.95 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map
       • Chain_ID_1: A - Chain_ID_2: A

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 66.7%

     --------10-----
     GGAGAGXGGAACUCC
     ||||| |    ||||
     GGAGA.X....CUCC
     

   • Total number of restraints: 54
     • Beta angle constraints: 7
     • Epsilon angle constraints: 6
     • Gamma angle constraints: 8
     • Zeta angle constraints: 6
     • Undefined angle constraints: 27
   • Total number of restraints per polymer type: 54
     • Nucleic acid: 54
   • Weight of restraints: 1.0 (54)
     • Beta angle constraints: 1.0 (7)
     • Epsilon angle constraints: 1.0 (6)
     • Gamma angle constraints: 1.0 (8)
     • Zeta angle constraints: 1.0 (6)
     • Undefined angle constraints: 1.0 (27)
   • Potential type of restraints: square-well-parabolic (54)
     • Beta angle constraints: square-well-parabolic (7)
     • Epsilon angle constraints: square-well-parabolic (6)
     • Gamma angle constraints: square-well-parabolic (8)
     • Zeta angle constraints: square-well-parabolic (6)
     • Undefined angle constraints: square-well-parabolic (27)
   • Dihedral angle restraints per residue
     • Chain_ID: A