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--------40--------50--------60----
AKACTPLLHDCSHDRHSCCRGDMFKYVCDCFYPEGEDKTEVCSCQQPKSHKIAEKIIDKAKTTL
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
AKACTPLLHDCSHDRHSCCRGDMFKYVCDCFYPEGEDKTEVCSCQQPKSHKIAEKIIDKAKTTL

Chain assignments

Content subtype: combined_25486_2mzf.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 64, Sequence coverage: 62.5%

     --------10--------20--------30--------40--------50--------60----
     AKACTPLLHDCSHDRHSCCRGDMFKYVCDCFYPEGEDKTEVCSCQQPKSHKIAEKIIDKAKTTL
         | | || |||||| | ||||| || ||| |||||||  || |  ||   ||  | |||| 
     ....T.L.HD.SHDRHS.C.GDMFK.VC.CFY.EGEDKTE..SC.Q..SH...EK..D.AKTT 
     --------10--------20--------30--------40--------50--------60--- 
     

   • Total number of assignments
     • ¹H chemical shifts: 41
     • ¹⁵N chemical shifts: 41
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	382	41	10.7
         15N chemical shifts	65	41	63.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	127	40	31.5
         15N chemical shifts	61	40	65.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	255	1	0.4
         15N chemical shifts	4	1	25.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	25	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	26	0	0.0

   • 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_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 64, Sequence coverage: 96.9%

     --------10--------20--------30--------40--------50--------60----
     AKACTPLLHDCSHDRHSCCRGDMFKYVCDCFYPEGEDKTEVCSCQQPKSHKIAEKIIDKAKTTL
      |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| 
     .KACTPLLHDCSHDRHSCCRGDMFKYVCDCFYPEGEDKTEVCSCQQPKSHKIAEKIIDKAKTT 
     --------10--------20--------30--------40--------50--------60--- 
     

   • Total number of restraints: 413
     • Intra-residue restraints, i = j : 231
     • Sequential restraints, | i - j | = 1 : 142
       • Backbone-backbone: 64
       • Backbone-side chain: 78
     • Medium range restraints, 1 < | i - j | < 5 : 12
       • Backbone-backbone: 5
       • Backbone-side chain: 7
     • Long range restraints, | i - j | >= 5 : 28
   • Weight of restraints: 1.0 (413)
     • Intra-residue restraints, i = j : 1.0 (231)
     • Sequential restraints, | i - j | = 1 : 1.0 (142)
       • Backbone-backbone: 1.0 (64)
       • Backbone-side chain: 1.0 (78)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (12)
       • Backbone-backbone: 1.0 (5)
       • Backbone-side chain: 1.0 (7)
     • Long range restraints, | i - j | >= 5 : 1.0 (28)
   • Potential type of restraints: upper-bound-parabolic (413)
     • Intra-residue restraints, i = j : upper-bound-parabolic (231)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (142)
       • Backbone-backbone: upper-bound-parabolic (64)
       • Backbone-side chain: upper-bound-parabolic (78)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (12)
       • Backbone-backbone: upper-bound-parabolic (5)
       • Backbone-side chain: upper-bound-parabolic (7)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (28)
   • Range of distance target values: 0.0, 5.5 (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