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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EMRLSKFFRDFILQRKK
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EMRLSKFFRDFILQRKK

Chain assignments

Content subtype: combined_30435_6cow.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 82.4%

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     EMRLSKFFRDFILQRKK
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     ...LSKFFRDFILQRKK
     

   • Total number of assignments
     • ¹H chemical shifts: 80
     • ¹³C chemical shifts: 28
     • ¹⁵N chemical shifts: 15
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	134	80	59.7
         13C chemical shifts	94	28	29.8
         15N chemical shifts	21	15	71.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	34	28	82.4
         13C chemical shifts	34	14	41.2
         15N chemical shifts	17	14	82.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	100	52	52.0
         13C chemical shifts	60	14	23.3
         15N chemical shifts	4	1	25.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	7	6	85.7
         13C chemical shifts	7	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	6	40.0
         13C chemical shifts	15	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: CNS/XPLOR_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 82.4%

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     EMRLSKFFRDFILQRKK
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     ...LSKFFRDFILQRKK
     

   • Total number of restraints: 492
     • Intra-residue restraints, i = j : 212
     • Sequential restraints, | i - j | = 1 : 130
       • Backbone-backbone: 23
       • Backbone-side chain: 77
       • Side chain-side chain: 30
     • Medium range restraints, 1 < | i - j | < 5 : 148
       • Backbone-backbone: 21
       • Backbone-side chain: 78
       • Side chain-side chain: 49
     • Long range restraints, | i - j | >= 5 : 2
   • Weight of restraints: 1.0 (492)
     • Intra-residue restraints, i = j : 1.0 (212)
     • Sequential restraints, | i - j | = 1 : 1.0 (130)
       • Backbone-backbone: 1.0 (23)
       • Backbone-side chain: 1.0 (77)
       • Side chain-side chain: 1.0 (30)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (148)
       • Backbone-backbone: 1.0 (21)
       • Backbone-side chain: 1.0 (78)
       • Side chain-side chain: 1.0 (49)
     • Long range restraints, | i - j | >= 5 : 1.0 (2)
   • Potential type of restraints: square-well-parabolic (492)
     • Intra-residue restraints, i = j : square-well-parabolic (212)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (130)
       • Backbone-backbone: square-well-parabolic (23)
       • Backbone-side chain: square-well-parabolic (77)
       • Side chain-side chain: square-well-parabolic (30)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (148)
       • Backbone-backbone: square-well-parabolic (21)
       • Backbone-side chain: square-well-parabolic (78)
       • Side chain-side chain: square-well-parabolic (49)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (2)
   • Range of distance target values: 2.2, 5.15 (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: 17, Sequence coverage: 47.1%
     • Total number of restraints: 8
       • Total hydrogen bond restraints: 8
         • O...H-x: 4
         • O...h-N: 4
     • Weight of restraints: 1.0 (8)
       • Total hydrogen bond restraints: 1.0 (8)
         • O...H-x: 1.0 (4)
         • O...h-N: 1.0 (4)
     • Potential type of restraints: square-well-parabolic (8)
       • Total hydrogen bond restraints: square-well-parabolic (8)
         • O...H-x: square-well-parabolic (4)
         • O...h-N: square-well-parabolic (4)
     • Range of distance target values: 2.0, 3.0 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_4
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 76.5%

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     EMRLSKFFRDFILQRKK
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     ...LSKFFRDFILQRK 
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   • Total number of restraints: 25
     • Phi angle constraints: 11
     • Psi angle constraints: 11
     • Chi1 angle constraints: 3
   • Total number of restraints per polymer type: 25
     • Protein: 25
   • Weight of restraints: 1.0 (25)
     • Phi angle constraints: 1.0 (11)
     • Psi angle constraints: 1.0 (11)
     • Chi1 angle constraints: 1.0 (3)
   • Potential type of restraints: square-well-parabolic (25)
     • Phi angle constraints: square-well-parabolic (11)
     • Psi angle constraints: square-well-parabolic (11)
     • Chi1 angle constraints: square-well-parabolic (3)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A