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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ECLEIFKACNPSNDQCCKSSKLVCSRKTRWCKYQI
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ECLEIFKACNPSNDQCCKSSKLVCSRKTRWCKYQI

Chain assignments

Content subtype: combined_19026_2m4x.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 94.3%

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     ECLEIFKACNPSNDQCCKSSKLVCSRKTRWCKYQI
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     .CLEIFKACNPSNDQCCKSSKLVCSR.TRWCKYQI
     

   • Total number of assignments
     • ¹H chemical shifts: 178
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	226	176	77.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	69	63	91.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	157	113	72.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	9	75.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	10	66.7

   • 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: 35, Sequence coverage: 88.6%

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     ECLEIFKACNPSNDQCCKSSKLVCSRKTRWCKYQI
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     .CLEIFKACNPSNDQCCK.SKLVC.R.TRWCKYQI
     

   • Total number of restraints: 420
     • Intra-residue restraints, i = j : 179
     • Sequential restraints, | i - j | = 1 : 99
       • Backbone-backbone: 16
       • Backbone-side chain: 63
       • Side chain-side chain: 20
     • Medium range restraints, 1 < | i - j | < 5 : 48
       • Backbone-backbone: 2
       • Backbone-side chain: 13
       • Side chain-side chain: 33
     • Long range restraints, | i - j | >= 5 : 94
   • Weight of restraints: 1.0 (420)
     • Intra-residue restraints, i = j : 1.0 (179)
     • Sequential restraints, | i - j | = 1 : 1.0 (99)
       • Backbone-backbone: 1.0 (16)
       • Backbone-side chain: 1.0 (63)
       • Side chain-side chain: 1.0 (20)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (48)
       • Backbone-backbone: 1.0 (2)
       • Backbone-side chain: 1.0 (13)
       • Side chain-side chain: 1.0 (33)
     • Long range restraints, | i - j | >= 5 : 1.0 (94)
   • Potential type of restraints: upper-bound-parabolic (420)
     • Intra-residue restraints, i = j : upper-bound-parabolic (179)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (99)
       • Backbone-backbone: upper-bound-parabolic (16)
       • Backbone-side chain: upper-bound-parabolic (63)
       • Side chain-side chain: upper-bound-parabolic (20)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (48)
       • Backbone-backbone: upper-bound-parabolic (2)
       • Backbone-side chain: upper-bound-parabolic (13)
       • Side chain-side chain: upper-bound-parabolic (33)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (94)
   • Range of distance target values: 2.25, 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
   • Saveframe: DYANA/DIANA_distance_constraints_4
     • Status: Warning
     • Experiment type: undefined
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 17.1%
     • Total number of restraints: 22
       • Long range restraints, | i - j | >= 5 : 12
       • Total disulfide bond restraints: 10
     • Weight of restraints: 1.0 (22)
       • Long range restraints, | i - j | >= 5 : 1.0 (12)
       • Total disulfide bond restraints: 1.0 (10)
     • Potential type of restraints: upper-bound-parabolic (22)
       • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (12)
       • Total disulfide bond restraints: upper-bound-parabolic (10)
     • Range of distance target values: 2.0, 4.0 (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
     • Saveframe: DYANA/DIANA_distance_constraints_6
       • Status: Warning
       • Experiment type: noe
       • Sequence coverage of experimental data
         • Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 8.6%
       • Total number of restraints: 4
         • Medium range restraints, 1 < | i - j | < 5 : 2
           • Backbone-side chain: 2
         • Long range restraints, | i - j | >= 5 : 2
       • Weight of restraints: 1.0 (4)
         • Medium range restraints, 1 < | i - j | < 5 : 1.0 (2)
           • Backbone-side chain: 1.0 (2)
         • Long range restraints, | i - j | >= 5 : 1.0 (2)
       • Potential type of restraints: upper-bound-parabolic (4)
         • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (2)
           • Backbone-side chain: upper-bound-parabolic (2)
         • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (2)
       • Range of distance target values: 2.5, 5.2 (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
       • Saveframe: DYANA/DIANA_distance_constraints_5
         • Status: Warning
         • Experiment type: hbond
         • Sequence coverage of experimental data
           • Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 14.3%
         • Total number of restraints: 16
           • Total hydrogen bond restraints: 16
         • Weight of restraints: 1.0 (16)
           • Total hydrogen bond restraints: 1.0 (16)
         • Potential type of restraints: upper-bound-parabolic (16)
           • Total hydrogen bond restraints: upper-bound-parabolic (16)
         • 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: DYANA/DIANA_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 100.0%

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     ECLEIFKACNPSNDQCCKSSKLVCSRKTRWCKYQI
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     ECLEIFKACNPSNDQCCKSSKLVCSRKTRWCKYQI
     

   • Total number of restraints: 372
     • Psi angle constraints: 96
     • Phi angle constraints: 96
     • Chi1 angle constraints: 99
     • Chi2 angle constraints: 39
     • Chi21 angle constraints: 6
     • Chi3 angle constraints: 21
     • Chi4 angle constraints: 15
   • Total number of restraints per polymer type: 372
     • Protein: 372
   • Weight of restraints: 1.0 (372)
     • Psi angle constraints: 1.0 (96)
     • Phi angle constraints: 1.0 (96)
     • Chi1 angle constraints: 1.0 (99)
     • Chi2 angle constraints: 1.0 (39)
     • Chi21 angle constraints: 1.0 (6)
     • Chi3 angle constraints: 1.0 (21)
     • Chi4 angle constraints: 1.0 (15)
   • Potential type of restraints: square-well-parabolic (372)
     • Psi angle constraints: square-well-parabolic (96)
     • Phi angle constraints: square-well-parabolic (96)
     • Chi1 angle constraints: square-well-parabolic (99)
     • Chi2 angle constraints: square-well-parabolic (39)
     • Chi21 angle constraints: square-well-parabolic (6)
     • Chi3 angle constraints: square-well-parabolic (21)
     • Chi4 angle constraints: square-well-parabolic (15)
   • Plot of Phi-Psi angle restraints
   • Plot of Chi1-Chi2 angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A