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--------30-
AGCDDKCGCAVPCPGGTGCRCTSARSGGAAG
|||||||||||||||||||||||||||||||
AGCDDKCGCAVPCPGGTGCRCTSARSGGAAG

Chain assignments

Content subtype: combined_19557_2mfp.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 31, Sequence coverage: 83.9%

     --------10--------20--------30-
     AGCDDKCGCAVPCPGGTGCRCTSARSGGAAG
     |||||||||||||||||||||| ||    ||
     AGCDDKCGCAVPCPGGTGCRCT.AR....AG
     

   • Total number of assignments
     • ¹H chemical shifts: 114
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	134	114	85.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	68	55	80.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	66	59	89.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	8	88.9

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)

   • 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_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 31, Sequence coverage: 80.6%

     --------10--------20--------30-
     AGCDDKCGCAVPCPGGTGCRCTSARSGGAAG
     ||||||||||||||| |||||||||    | 
     AGCDDKCGCAVPCPG.TGCRCTSAR....A 
     --------10--------20--------30 
     

   • Total number of restraints: 117
     • Intra-residue restraints, i = j : 30
     • Sequential restraints, | i - j | = 1 : 52
       • Backbone-backbone: 21
       • Backbone-side chain: 28
       • Side chain-side chain: 3
     • Medium range restraints, 1 < | i - j | < 5 : 28
       • Backbone-backbone: 11
       • Backbone-side chain: 15
       • Side chain-side chain: 2
     • Long range restraints, | i - j | >= 5 : 7
   • Weight of restraints: 1.0 (117)
     • Intra-residue restraints, i = j : 1.0 (30)
     • Sequential restraints, | i - j | = 1 : 1.0 (52)
       • Backbone-backbone: 1.0 (21)
       • Backbone-side chain: 1.0 (28)
       • Side chain-side chain: 1.0 (3)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (28)
       • Backbone-backbone: 1.0 (11)
       • Backbone-side chain: 1.0 (15)
       • Side chain-side chain: 1.0 (2)
     • Long range restraints, | i - j | >= 5 : 1.0 (7)
   • Potential type of restraints: upper-bound-parabolic (117)
     • Intra-residue restraints, i = j : upper-bound-parabolic (30)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (52)
       • Backbone-backbone: upper-bound-parabolic (21)
       • Backbone-side chain: upper-bound-parabolic (28)
       • Side chain-side chain: upper-bound-parabolic (3)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (28)
       • Backbone-backbone: upper-bound-parabolic (11)
       • Backbone-side chain: upper-bound-parabolic (15)
       • Side chain-side chain: upper-bound-parabolic (2)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (7)
   • Range of distance target values: 2.46, 5.5 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
     • Chain_ID: B
       None
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A
   • Saveframe: DYANA/DIANA_distance_constraints_3
     • Status: Error
     • Experiment type: undefined
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 31, Sequence coverage: 19.4%
       • Entity_assembly_ID: B, Chain length: 2, Sequence coverage: 50.0%

       --
       XX
       | 
       X 
       - 
       

     • Total number of restraints: 42
       • Medium range restraints, 1 < | i - j | < 5 : 3
       • Long range restraints, | i - j | >= 5 : 8
       • Inter-chain restraints: 2
       • Total disulfide bond restraints: 13
         • S...S (too far!): 3
         • Long range: 10
           • S...S (too far!): 10
       • Total other bond restraints: 16
     • Weight of restraints: 1.0 (42)
       • Medium range restraints, 1 < | i - j | < 5 : 1.0 (3)
       • Long range restraints, | i - j | >= 5 : 1.0 (8)
       • Inter-chain restraints: 1.0 (2)
       • Total disulfide bond restraints: 1.0 (13)
         • S...S (too far!): 1.0 (3)
         • Long range: 1.0 (10)
           • S...S (too far!): 1.0 (10)
       • Total other bond restraints: 1.0 (16)
     • Potential type of restraints: upper-bound-parabolic (42)
       • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (3)
       • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (8)
       • Inter-chain restraints: upper-bound-parabolic (2)
       • Total disulfide bond restraints: upper-bound-parabolic (13)
         • S...S (too far!): upper-bound-parabolic (3)
         • Long range: upper-bound-parabolic (10)
           • S...S (too far!): upper-bound-parabolic (10)
       • Total other bond restraints: upper-bound-parabolic (16)
     • Range of distance target values: 2.47, 4.4 (Å)
     • Histogram of distance target values
     • Histogram of discrepancy in distance target values
     • Distance restraints per residue
       • Chain_ID: A
       • Chain_ID: B
     • Distance restraints on contact map
       • Chain_ID_1: B - Chain_ID_2: B
         None