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--------20-------
GLFGAIAGAIENGWEGMIDGGCGKKKK
|||||||||||||||||||||||||||
GLFGAIAGAIENGWEGMIDGGCGKKKK

Chain assignments

Content subtype: combined_15390_2jrd.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 74.1%

     --------10--------20-------
     GLFGAIAGAIENGWEGMIDGGCGKKKK
     ||||||||||||||||||||       
     GLFGAIAGAIENGWEGMIDG       
     --------10--------20       
     

   • Total number of assignments
     • ¹H chemical shifts: 100
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	153	100	65.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	62	45	72.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	91	55	60.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	11	91.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	10	90.9

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Distance restraints

1. Saveframe: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 74.1%

     --------10--------20-------
     GLFGAIAGAIENGWEGMIDGGCGKKKK
     ||||||||||||||||||||       
     GLFGAIAGAIENGWEGMIDG       
     --------10--------20       
     

   • Total number of restraints: 176
     • Intra-residue restraints, i = j : 58
     • Sequential restraints, | i - j | = 1 : 61
       • Backbone-backbone: 15
       • Backbone-side chain: 39
       • Side chain-side chain: 7
     • Medium range restraints, 1 < | i - j | < 5 : 56
       • Backbone-backbone: 14
       • Backbone-side chain: 29
       • Side chain-side chain: 12
     • Long range restraints, | i - j | >= 5 : 1
   • Weight of restraints: 1.0 (176)
     • Intra-residue restraints, i = j : 1.0 (58)
     • Sequential restraints, | i - j | = 1 : 1.0 (61)
       • Backbone-backbone: 1.0 (15)
       • Backbone-side chain: 1.0 (39)
       • Side chain-side chain: 1.0 (7)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (56)
       • Backbone-backbone: 1.0 (14)
       • Backbone-side chain: 1.0 (29)
       • Side chain-side chain: 1.0 (12)
     • Long range restraints, | i - j | >= 5 : 1.0 (1)
   • Potential type of restraints: upper-bound-parabolic (176)
     • Intra-residue restraints, i = j : upper-bound-parabolic (58)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (61)
       • Backbone-backbone: upper-bound-parabolic (15)
       • Backbone-side chain: upper-bound-parabolic (39)
       • Side chain-side chain: upper-bound-parabolic (7)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (56)
       • Backbone-backbone: upper-bound-parabolic (14)
       • Backbone-side chain: upper-bound-parabolic (29)
       • Side chain-side chain: upper-bound-parabolic (12)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (1)
   • Range of distance target values: 2.5, 7.8 (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

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_3
   • Status: Warning
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 74.1%

     --------10--------20-------
     GLFGAIAGAIENGWEGMIDGGCGKKKK
     ||||||||||||||||||||       
     GLFGAIAGAIENGWEGMIDG       
     --------10--------20       
     

   • Total number of restraints: 60
     • Psi angle constraints: 16
     • Phi angle constraints: 23
     • Chi1 angle constraints: 11
     • Chi2 angle constraints: 7
     • Chi21 angle constraints: 3
   • Total number of restraints per polymer type: 60
     • Protein: 60
   • Weight of restraints: 1.0 (60)
     • Psi angle constraints: 1.0 (16)
     • Phi angle constraints: 1.0 (23)
     • Chi1 angle constraints: 1.0 (11)
     • Chi2 angle constraints: 1.0 (7)
     • Chi21 angle constraints: 1.0 (3)
   • Potential type of restraints: square-well-parabolic (60)
     • Psi angle constraints: square-well-parabolic (16)
     • Phi angle constraints: square-well-parabolic (23)
     • Chi1 angle constraints: square-well-parabolic (11)
     • Chi2 angle constraints: square-well-parabolic (7)
     • Chi21 angle constraints: square-well-parabolic (3)
   • Plot of Phi-Psi angle restraints
   • Plot of Chi1-Chi2 angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A