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--------70--------80--------90-------100
MAGSHHHHHHGSMSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGACGLRYRNPVSQCMRGVRLVEGILHAPDAGWGNLVYVVNYPKDNKRKMDET
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MAGSHHHHHHGSMSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGACGLRYRNPVSQCMRGVRLVEGILHAPDAGWGNLVYVVNYPKDNKRKMDET

-------110----
DASSAVKVKRAVQK
||||||||||||||
DASSAVKVKRAVQK

Chain assignments

Content subtype: combined_34081_5mrg.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 114, Sequence coverage: 83.3%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     MAGSHHHHHHGSMSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGACGLRYRNPVSQCMRGVRLVEGILHAPDAGWGNLVYVVNYPKDNKRKMDET
        |     ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||  ||||  | |
     ...S.....HGSMSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGACGLRYRNPVSQCMRGVRLVEGILHAPDAGWGNLVYVVNY..DNKR..D.T
     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     
     -------110----
     DASSAVKVKRAVQK
      | ||| || ||  
     .A.SAV.VK.AV  
     -------110--  
     

   • Total number of assignments
     • ¹H chemical shifts: 478
     • ¹⁵N chemical shifts: 1
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	661	478	72.3
         15N chemical shifts	124	1	0.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	231	175	75.8
         15N chemical shifts	108	1	0.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	430	303	70.5
         15N chemical shifts	16	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	61	53	86.9

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	41	26	63.4
         15N chemical shifts	1	0	0.0

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

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: 114, Sequence coverage: 73.7%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     MAGSHHHHHHGSMSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGACGLRYRNPVSQCMRGVRLVEGILHAPDAGWGNLVYVVNYPKDNKRKMDET
       ||||   ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||           
     ..GSHH...HGSMSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGACGLRYRNPVSQCMRGVRLVEGILHAPDAGWGNLVYVVNY           
     --------10--------20--------30--------40--------50--------60--------70--------80---------           
     
     -------110----
     DASSAVKVKRAVQK
                   
                   
                   
     

   • Total number of restraints: 1420
     • Intra-residue restraints, i = j : 314
     • Sequential restraints, | i - j | = 1 : 365
       • Backbone-backbone: 68
       • Backbone-side chain: 220
       • Side chain-side chain: 77
     • Medium range restraints, 1 < | i - j | < 5 : 172
       • Backbone-backbone: 16
       • Backbone-side chain: 81
       • Side chain-side chain: 75
     • Long range restraints, | i - j | >= 5 : 569
   • Weight of restraints: 1.0 (1420)
     • Intra-residue restraints, i = j : 1.0 (314)
     • Sequential restraints, | i - j | = 1 : 1.0 (365)
       • Backbone-backbone: 1.0 (68)
       • Backbone-side chain: 1.0 (220)
       • Side chain-side chain: 1.0 (77)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (172)
       • Backbone-backbone: 1.0 (16)
       • Backbone-side chain: 1.0 (81)
       • Side chain-side chain: 1.0 (75)
     • Long range restraints, | i - j | >= 5 : 1.0 (569)
   • Potential type of restraints: upper-bound-parabolic (1420)
     • Intra-residue restraints, i = j : upper-bound-parabolic (314)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (365)
       • Backbone-backbone: upper-bound-parabolic (68)
       • Backbone-side chain: upper-bound-parabolic (220)
       • Side chain-side chain: upper-bound-parabolic (77)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (172)
       • Backbone-backbone: upper-bound-parabolic (16)
       • Backbone-side chain: upper-bound-parabolic (81)
       • Side chain-side chain: upper-bound-parabolic (75)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (569)
   • Range of distance target values: 2.41, 5.61 (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: DYANA/DIANA_distance_constraints_4
     • Status: Warning
     • Experiment type: noe
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 114, Sequence coverage: 77.2%

       --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
       MAGSHHHHHHGSMSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGACGLRYRNPVSQCMRGVRLVEGILHAPDAGWGNLVYVVNYPKDNKRKMDET
                 || |||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||  ||||     
       ..........GS.SEYIRVTEDE.DEPIEIPSEDDGTVLLSTVTAQFPGACGLRYRNPVSQCMRGVRLVEGILHAPDAGWGNLVYVVNY..DNKR.....
       --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
       
       -------110----
       DASSAVKVKRAVQK
          ||| || ||  
       ...SAV.VK.AV  
       -------110--  
       

     • Total number of restraints: 776
       • Intra-residue restraints, i = j : 63
       • Sequential restraints, | i - j | = 1 : 198
         • Backbone-backbone: 25
         • Backbone-side chain: 114
         • Side chain-side chain: 59
       • Medium range restraints, 1 < | i - j | < 5 : 150
         • Backbone-backbone: 15
         • Backbone-side chain: 71
         • Side chain-side chain: 64
       • Long range restraints, | i - j | >= 5 : 365
     • Weight of restraints: 1.0 (776)
       • Intra-residue restraints, i = j : 1.0 (63)
       • Sequential restraints, | i - j | = 1 : 1.0 (198)
         • Backbone-backbone: 1.0 (25)
         • Backbone-side chain: 1.0 (114)
         • Side chain-side chain: 1.0 (59)
       • Medium range restraints, 1 < | i - j | < 5 : 1.0 (150)
         • Backbone-backbone: 1.0 (15)
         • Backbone-side chain: 1.0 (71)
         • Side chain-side chain: 1.0 (64)
       • Long range restraints, | i - j | >= 5 : 1.0 (365)
     • Potential type of restraints: upper-bound-parabolic (776)
       • Intra-residue restraints, i = j : upper-bound-parabolic (63)
       • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (198)
         • Backbone-backbone: upper-bound-parabolic (25)
         • Backbone-side chain: upper-bound-parabolic (114)
         • Side chain-side chain: upper-bound-parabolic (59)
       • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (150)
         • Backbone-backbone: upper-bound-parabolic (15)
         • Backbone-side chain: upper-bound-parabolic (71)
         • Side chain-side chain: upper-bound-parabolic (64)
       • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (365)
     • Range of distance target values: 4.42, 7.0 (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: DYANA/DIANA_distance_constraints_3
       • Status: Warning
       • Experiment type: hbond
       • Sequence coverage of experimental data
         • Entity_assembly_ID: A, Chain length: 114, Sequence coverage: 29.8%
       • Total number of restraints: 49
         • Sequential restraints, | i - j | = 1 : 7
           • Backbone-backbone: 7
         • Total hydrogen bond restraints: 42
           • O...H-x (too far!): 1
           • O...h-N (too far!): 1
           • O...H-x: 1
           • O...h-N: 1
           • Long range: 38
             • O...H-x: 8
             • O...h-N: 18
             • O...H-x (too far!): 11
             • O...h-N (too far!): 1
       • Weight of restraints: 1.0 (49)
         • Sequential restraints, | i - j | = 1 : 1.0 (7)
           • Backbone-backbone: 1.0 (7)
         • Total hydrogen bond restraints: 1.0 (42)
           • O...H-x (too far!): 1.0 (1)
           • O...h-N (too far!): 1.0 (1)
           • O...H-x: 1.0 (1)
           • O...h-N: 1.0 (1)
           • Long range: 1.0 (38)
             • O...H-x: 1.0 (8)
             • O...h-N: 1.0 (18)
             • O...H-x (too far!): 1.0 (11)
             • O...h-N (too far!): 1.0 (1)
       • Potential type of restraints: upper-bound-parabolic (49)
         • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (7)
           • Backbone-backbone: upper-bound-parabolic (7)
         • Total hydrogen bond restraints: upper-bound-parabolic (42)
           • O...H-x (too far!): upper-bound-parabolic (1)
           • O...h-N (too far!): upper-bound-parabolic (1)
           • O...H-x: upper-bound-parabolic (1)
           • O...h-N: upper-bound-parabolic (1)
           • Long range: upper-bound-parabolic (38)
             • O...H-x: upper-bound-parabolic (8)
             • O...h-N: upper-bound-parabolic (18)
             • O...H-x (too far!): upper-bound-parabolic (11)
             • O...h-N (too far!): upper-bound-parabolic (1)
       • Range of distance target values: 2.4, 4.4 (Å)
       • Histogram of distance target values
       • Distance restraints per residue
         • Chain_ID: A
       • Distance restraints on contact map