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
FNWRCCLIPACRRNHKKFCX
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FNWRCCLIPACRRNHKKFCX

Chain assignments

Content subtype: combined_18354_2lr9.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 95.0%

     --------10--------20
     FNWRCCLIPACRRNHKKFCX
     ||||||||||||||||||| 
     FNWRCCLIPACRRNHKKFC 
     --------10--------- 
     

   • Total number of assignments
     • ¹H chemical shifts: 131
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	135	131	97.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	37	36	97.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	98	95	96.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	5	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	18	17	94.4

   • 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: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 95.0%

     --------10--------20
     FNWRCCLIPACRRNHKKFCX
     ||||||||||||||||||| 
     FNWRCCLIPACRRNHKKFC 
     --------10--------- 
     

   • Total number of restraints: 147
     • Intra-residue restraints, i = j : 4
     • Sequential restraints, | i - j | = 1 : 91
       • Backbone-backbone: 17
       • Backbone-side chain: 58
       • Side chain-side chain: 16
     • Medium range restraints, 1 < | i - j | < 5 : 39
       • Backbone-backbone: 12
       • Backbone-side chain: 19
       • Side chain-side chain: 8
     • Long range restraints, | i - j | >= 5 : 13
   • Weight of restraints: 1.0 (147)
     • Intra-residue restraints, i = j : 1.0 (4)
     • Sequential restraints, | i - j | = 1 : 1.0 (91)
       • Backbone-backbone: 1.0 (17)
       • Backbone-side chain: 1.0 (58)
       • Side chain-side chain: 1.0 (16)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (39)
       • Backbone-backbone: 1.0 (12)
       • Backbone-side chain: 1.0 (19)
       • Side chain-side chain: 1.0 (8)
     • Long range restraints, | i - j | >= 5 : 1.0 (13)
   • Potential type of restraints: square-well-parabolic (147)
     • Intra-residue restraints, i = j : square-well-parabolic (4)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (91)
       • Backbone-backbone: square-well-parabolic (17)
       • Backbone-side chain: square-well-parabolic (58)
       • Side chain-side chain: square-well-parabolic (16)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (39)
       • Backbone-backbone: square-well-parabolic (12)
       • Backbone-side chain: square-well-parabolic (19)
       • Side chain-side chain: square-well-parabolic (8)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (13)
   • Range of distance target values: 2.14, 4.71 (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_3
     • Status: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 50.0%

       --------10--------20
       FNWRCCLIPACRRNHKKFCX
        |||||||  |   |   | 
       .NWRCCLI..C...H...C 
       --------10--------- 
       

     • Total number of restraints: 12
       • Total hydrogen bond restraints: 12
         • O...H-x: 6
         • O...h-N: 6
     • Weight of restraints: 1.0 (12)
       • Total hydrogen bond restraints: 1.0 (12)
         • O...H-x: 1.0 (6)
         • O...h-N: 1.0 (6)
     • Potential type of restraints: square-well-parabolic (12)
       • Total hydrogen bond restraints: square-well-parabolic (12)
         • O...H-x: square-well-parabolic (6)
         • O...h-N: square-well-parabolic (6)
     • Range of distance target values: 1.9, 2.4 (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_4
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 95.0%

     --------10--------20
     FNWRCCLIPACRRNHKKFCX
     ||||||||||||||||||| 
     FNWRCCLIPACRRNHKKFC 
     --------10--------- 
     

   • Total number of restraints: 24
     • Phi angle constraints: 16
     • Chi1 angle constraints: 8
   • Total number of restraints per polymer type: 24
     • Protein: 24
   • Weight of restraints: 1.0 (24)
     • Phi angle constraints: 1.0 (16)
     • Chi1 angle constraints: 1.0 (8)
   • Potential type of restraints: square-well-parabolic (24)
     • Phi angle constraints: square-well-parabolic (16)
     • Chi1 angle constraints: square-well-parabolic (8)
   • Dihedral angle restraints per residue
     • Chain_ID: A