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

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SCGGSCFGGCWXGCSCYARTCFRDGLP
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SCGGSCFGGCWXGCSCYARTCFRDGLP

Chain assignments

Content subtype: combined_25129_2msq.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 100.0%

     --------10--------20-------
     SCGGSCFGGCWXGCSCYARTCFRDGLP
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     SCGGSCFGGCWXGCSCYARTCFRDGLP
     

   • Total number of assignments
     • ¹H chemical shifts: 129
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	139	128	92.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	58	57	98.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	81	71	87.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	4	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	10	50.0

   • 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: DYANA/DIANA_distance_constraints_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 100.0%

     --------10--------20-------
     SCGGSCFGGCWXGCSCYARTCFRDGLP
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     SCGGSCFGGCWXGCSCYARTCFRDGLP
     

   • Total number of restraints: 274
     • Intra-residue restraints, i = j : 96
     • Sequential restraints, | i - j | = 1 : 107
       • Backbone-backbone: 46
       • Backbone-side chain: 40
       • Side chain-side chain: 21
     • Medium range restraints, 1 < | i - j | < 5 : 18
       • Backbone-backbone: 11
       • Backbone-side chain: 3
       • Side chain-side chain: 4
     • Long range restraints, | i - j | >= 5 : 53
   • Weight of restraints: 1.0 (274)
     • Intra-residue restraints, i = j : 1.0 (96)
     • Sequential restraints, | i - j | = 1 : 1.0 (107)
       • Backbone-backbone: 1.0 (46)
       • Backbone-side chain: 1.0 (40)
       • Side chain-side chain: 1.0 (21)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (18)
       • Backbone-backbone: 1.0 (11)
       • Backbone-side chain: 1.0 (3)
       • Side chain-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (53)
   • Potential type of restraints: upper-bound-parabolic (274)
     • Intra-residue restraints, i = j : upper-bound-parabolic (96)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (107)
       • Backbone-backbone: upper-bound-parabolic (46)
       • Backbone-side chain: upper-bound-parabolic (40)
       • Side chain-side chain: upper-bound-parabolic (21)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (18)
       • Backbone-backbone: upper-bound-parabolic (11)
       • Backbone-side chain: upper-bound-parabolic (3)
       • Side chain-side chain: upper-bound-parabolic (4)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (53)
   • Range of distance target values: 2.28, 8.51 (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_5
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 96.3%

     --------10--------20-------
     SCGGSCFGGCWXGCSCYARTCFRDGLP
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     SCGGSCFGGCWXGCSCYARTCFRDGL 
     --------10--------20------ 
     

   • Total number of restraints: 28
     • Phi angle constraints: 22
     • Chi1 angle constraints: 6
   • Total number of restraints per polymer type: 28
     • Protein: 28
   • Weight of restraints: 1.0 (28)
     • Phi angle constraints: 1.0 (22)
     • Chi1 angle constraints: 1.0 (6)
   • Potential type of restraints: square-well-parabolic (28)
     • Phi angle constraints: square-well-parabolic (22)
     • Chi1 angle constraints: square-well-parabolic (6)
   • Dihedral angle restraints per residue
     • Chain_ID: A