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

--30--------40---
CCUCCCUXACAAGGAGG
|||||||||||||||||
CCUCCCUXACAAGGAGG
--------10-------

Chain assignments

Content subtype: combined_15342_2jrq.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

     --30--------40---
     CCUCCCUXACAAGGAGG
     |||||||||||||||||
     CCUCCCUXACAAGGAGG
     

   • Total number of assignments
     • ¹H chemical shifts: 124
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         34	CM0

       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         39	G	H21	6.214
         39	G	H22	8.318
         40	G	H21	5.953
         40	G	H22	8.035
         41	A	H62	7.946
         41	A	H61	6.654
         42	G	H21	6.153
         42	G	H22	8.604

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	142	107	75.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	96	68	70.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	46	39	84.8

       • 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	12	12	100.0

   • Histogram of normalized assigned chemical shifts

Covalent bonds

1. Saveframe: assembly
   • Status: OK

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_4
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

     --30--------40---
     CCUCCCUXACAAGGAGG
     |||||||||||||||||
     CCUCCCUXACAAGGAGG
     

   • Total number of restraints: 571
     • Intra-residue restraints, i = j : 303
     • Sequential restraints, | i - j | = 1 : 222
       • Backbone-backbone: 101
       • Backbone-side chain: 72
       • Side chain-side chain: 49
     • Medium range restraints, 1 < | i - j | < 5 : 4
       • Backbone-side chain: 4
     • Long range restraints, | i - j | >= 5 : 42
   • Weight of restraints: 1.0 (571)
     • Intra-residue restraints, i = j : 1.0 (303)
     • Sequential restraints, | i - j | = 1 : 1.0 (222)
       • Backbone-backbone: 1.0 (101)
       • Backbone-side chain: 1.0 (72)
       • Side chain-side chain: 1.0 (49)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (4)
       • Backbone-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (42)
   • Potential type of restraints: square-well-parabolic (571)
     • Intra-residue restraints, i = j : square-well-parabolic (303)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (222)
       • Backbone-backbone: square-well-parabolic (101)
       • Backbone-side chain: square-well-parabolic (72)
       • Side chain-side chain: square-well-parabolic (49)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (4)
       • Backbone-side chain: square-well-parabolic (4)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (42)
   • Range of distance target values: 1.57, 7.01 (Å)
   • Histogram of distance target values
   • Histogram of discrepancy in 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_2
     • Status: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 58.8%

       --30--------40---
       CCUCCCUXACAAGGAGG
       |||||       |||||
       CCUCC.......GGAGG
       

     • Total number of restraints: 28
       • Total hydrogen bond restraints: 28
     • Weight of restraints: 1.0 (28)
       • Total hydrogen bond restraints: 1.0 (28)
     • Potential type of restraints: square-well-parabolic (28)
       • Total hydrogen bond restraints: square-well-parabolic (28)
     • Range of distance target values: 1.71, 3.08 (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_5
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

     --30--------40---
     CCUCCCUXACAAGGAGG
     |||||||||||||||||
     CCUCCCUXACAAGGAGG
     

   • Total number of restraints: 125
     • Undefined angle constraints: 12
     • Alpha angle constraints: 15
     • Beta angle constraints: 16
     • Chi angle constraints: 16
     • Epsilon angle constraints: 16
     • Zeta angle constraints: 5
     • Nu0 angle constraints: 9
     • Nu1 angle constraints: 9
     • Nu2 angle constraints: 9
     • Nu3 angle constraints: 9
     • Nu4 angle constraints: 9
   • Total number of restraints per polymer type: 125
     • Nucleic acid: 125
   • Weight of restraints: 1.0 (125)
     • Undefined angle constraints: 1.0 (12)
     • Alpha angle constraints: 1.0 (15)
     • Beta angle constraints: 1.0 (16)
     • Chi angle constraints: 1.0 (16)
     • Epsilon angle constraints: 1.0 (16)
     • Zeta angle constraints: 1.0 (5)
     • Nu0 angle constraints: 1.0 (9)
     • Nu1 angle constraints: 1.0 (9)
     • Nu2 angle constraints: 1.0 (9)
     • Nu3 angle constraints: 1.0 (9)
     • Nu4 angle constraints: 1.0 (9)
   • Potential type of restraints: square-well-parabolic (125)
     • Undefined angle constraints: square-well-parabolic (12)
     • Alpha angle constraints: square-well-parabolic (15)
     • Beta angle constraints: square-well-parabolic (16)
     • Chi angle constraints: square-well-parabolic (16)
     • Epsilon angle constraints: square-well-parabolic (16)
     • Zeta angle constraints: square-well-parabolic (5)
     • Nu0 angle constraints: square-well-parabolic (9)
     • Nu1 angle constraints: square-well-parabolic (9)
     • Nu2 angle constraints: square-well-parabolic (9)
     • Nu3 angle constraints: square-well-parabolic (9)
     • Nu4 angle constraints: square-well-parabolic (9)
   • Dihedral angle restraints per residue
     • Chain_ID: A