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---------
HGEGTFTSDCSKQCEEGIGHKYPFCHCRX
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HGEGTFTSDCSKQCEEGIGHKYPFCHCRX

Chain assignments

Content subtype: combined_25948_2nav.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 100.0%

     --------10--------20---------
     HGEGTFTSDCSKQCEEGIGHKYPFCHCRX
     |||||||||||||||||||||||||||||
     HGEGTFTSDCSKQCEEGIGHKYPFCHCRX
     

   • Total number of assignments
     • ¹H chemical shifts: 155
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	163	155	95.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	59	58	98.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	104	97	93.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	3	75.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	18	90.0

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

Covalent bonds

1. Saveframe: assembly
   • Status: OK

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 96.6%

     --------10--------20---------
     HGEGTFTSDCSKQCEEGIGHKYPFCHCRX
     |||||||||||||||||||||||||||| 
     HGEGTFTSDCSKQCEEGIGHKYPFCHCR 
     --------10--------20-------- 
     

   • Total number of restraints: 463
     • Intra-residue restraints, i = j : 166
     • Sequential restraints, | i - j | = 1 : 180
       • Backbone-backbone: 37
       • Backbone-side chain: 100
       • Side chain-side chain: 43
     • Medium range restraints, 1 < | i - j | < 5 : 103
       • Backbone-backbone: 7
       • Backbone-side chain: 56
       • Side chain-side chain: 40
     • Long range restraints, | i - j | >= 5 : 14
   • Weight of restraints: 1.0 (463)
     • Intra-residue restraints, i = j : 1.0 (166)
     • Sequential restraints, | i - j | = 1 : 1.0 (180)
       • Backbone-backbone: 1.0 (37)
       • Backbone-side chain: 1.0 (100)
       • Side chain-side chain: 1.0 (43)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (103)
       • Backbone-backbone: 1.0 (7)
       • Backbone-side chain: 1.0 (56)
       • Side chain-side chain: 1.0 (40)
     • Long range restraints, | i - j | >= 5 : 1.0 (14)
   • Potential type of restraints: square-well-parabolic (463)
     • Intra-residue restraints, i = j : square-well-parabolic (166)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (180)
       • Backbone-backbone: square-well-parabolic (37)
       • Backbone-side chain: square-well-parabolic (100)
       • Side chain-side chain: square-well-parabolic (43)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (103)
       • Backbone-backbone: square-well-parabolic (7)
       • Backbone-side chain: square-well-parabolic (56)
       • Side chain-side chain: square-well-parabolic (40)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (14)
   • Range of distance target values: 1.32, 2.75 (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_4
     • Status: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 37.9%
     • Total number of restraints: 14
       • Medium range restraints, 1 < | i - j | < 5 : 14
     • Weight of restraints: 1.0 (14)
       • Medium range restraints, 1 < | i - j | < 5 : 1.0 (14)
     • Potential type of restraints: square-well-parabolic (14)
       • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (14)
     • Range of distance target values: 1.15, 1.65 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 62.1%

     --------10--------20---------
     HGEGTFTSDCSKQCEEGIGHKYPFCHCRX
             |||||||| ||||||||||  
     ........DCSKQCEE.IGHKYPFCHC  
     --------10--------20-------  
     

   • Total number of restraints: 29
     • Phi angle constraints: 11
     • Psi angle constraints: 13
     • Chi1 angle constraints: 5
   • Total number of restraints per polymer type: 29
     • Protein: 29
   • Weight of restraints: 1.0 (29)
     • Phi angle constraints: 1.0 (11)
     • Psi angle constraints: 1.0 (13)
     • Chi1 angle constraints: 1.0 (5)
   • Potential type of restraints: square-well-parabolic (29)
     • Phi angle constraints: square-well-parabolic (11)
     • Psi angle constraints: square-well-parabolic (13)
     • Chi1 angle constraints: square-well-parabolic (5)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A