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------
GSSHHHHHHSSGLVPRGSHMGQLGGEEWTRHGSFVNKPTRGWLHPNDKVMGPGVSYLVRYMGCVEVLQSMRALDFNTRTQVTREAISLVCEAVPGAKGAT
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSSHHHHHHSSGLVPRGSHMGQLGGEEWTRHGSFVNKPTRGWLHPNDKVMGPGVSYLVRYMGCVEVLQSMRALDFNTRTQVTREAISLVCEAVPGAKGAT
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

-100-------110-------120-------130-------140-------150-------160-------170-------180-------190------
RRRKPCSRPLSSILGRSNLKFAGMPITLTVSTSSLNLMAADCKQIIANHHMQSISFASGGDPDTAEYVAYVAKDPVNQRACHILECPEGLAQDVISTIGQ
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
RRRKPCSRPLSSILGRSNLKFAGMPITLTVSTSSLNLMAADCKQIIANHHMQSISFASGGDPDTAEYVAYVAKDPVNQRACHILECPEGLAQDVISTIGQ
-------110-------120-------130-------140-------150-------160-------170-------180-------190-------200

-200-------
AFELRFKQYLR
|||||||||||
AFELRFKQYLR
-------210-

• Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

--740-------750-------760--
RAKWDTANNPLXKEATSTFTNITXRGT
|||||||||||||||||||||||||||
RAKWDTANNPLXKEATSTFTNITXRGT
--------10--------20-------

Chain assignments

Content subtype: combined_17080_2l1c.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 211, Sequence coverage: 87.7%

     ------------10--------20--------30--------40--------50--------60--------70--------80--------90------
     GSSHHHHHHSSGLVPRGSHMGQLGGEEWTRHGSFVNKPTRGWLHPNDKVMGPGVSYLVRYMGCVEVLQSMRALDFNTRTQVTREAISLVCEAVPGAKGAT
                         ||||||||| ||||    ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     ....................GQLGGEEWT.HGSF....TRGWLHPNDKVMGPGVSYLVRYMGCVEVLQSMRALDFNTRTQVTREAISLVCEAVPGAKGAT
     
     -100-------110-------120-------130-------140-------150-------160-------170-------180-------190------
     RRRKPCSRPLSSILGRSNLKFAGMPITLTVSTSSLNLMAADCKQIIANHHMQSISFASGGDPDTAEYVAYVAKDPVNQRACHILECPEGLAQDVISTIGQ
     ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     RRRKPCSRPLSSILGRSNLKFAGMPITLTVSTSSLNLMAADCKQIIANHHMQSISFASGGDPDTAEYVAYVAKDPVNQRACHILECPEGLAQDVISTIGQ
     
     -200-------
     AFELRFKQYLR
     |||||| ||||
     AFELRF.QYLR
     

     • Entity_assembly_ID: B, Chain length: 27, Sequence coverage: 96.3%

     --740-------750-------760--
     RAKWDTANNPLXKEATSTFTNITXRGT
      ||||||||||||||||||||||||||
     .AKWDTANNPLXKEATSTFTNITXRGT
     

   • Total number of assignments
     • ¹H chemical shifts: 1082
     • ¹³C chemical shifts: 720
     • ¹⁵N chemical shifts: 181
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	1233	943	76.5
         13C chemical shifts	925	720	77.8
         15N chemical shifts	233	181	77.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	430	359	83.5
         13C chemical shifts	422	350	82.9
         15N chemical shifts	200	165	82.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	803	584	72.7
         13C chemical shifts	503	370	73.6
         15N chemical shifts	33	16	48.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	116	108	93.1
         13C chemical shifts	116	108	93.1

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	86	37	43.0
         13C chemical shifts	84	35	41.7
         15N chemical shifts	2	2	100.0

     • Entity_assemble_ID: B
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	162	139	85.8
         13C chemical shifts	123	0	0.0
         15N chemical shifts	32	0	0.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	54	51	94.4
         13C chemical shifts	54	0	0.0
         15N chemical shifts	26	0	0.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	108	88	81.5
         13C chemical shifts	69	0	0.0
         15N chemical shifts	6	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	12	92.3
         13C chemical shifts	13	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	19	16	84.2
         13C chemical shifts	18	0	0.0
         15N chemical shifts	1	0	0.0

   • Redox state of CYS
     • A:59:CYS, CA: 53.749 ppm, CB: 32.544 ppm
       • Redox_state (pred. by CS): oxidized 62.6%, reduced 37.4%
       • Disulfide_bond (coordinates): False, Other_bond (coordinates): False
     • A:86:CYS, CA: 63.041 ppm, CB: 26.006 ppm
       • Redox_state (pred. by CS): reduced
       • Disulfide_bond (coordinates): False, Other_bond (coordinates): False
     • A:102:CYS, CA: 57.799 ppm, CB: 28.334 ppm
       • Redox_state (pred. by CS): reduced
       • Disulfide_bond (coordinates): False, Other_bond (coordinates): False
     • A:138:CYS, CA: 58.237 ppm, CB: 26.949 ppm
       • Redox_state (pred. by CS): reduced
       • Disulfide_bond (coordinates): False, Other_bond (coordinates): False
     • A:177:CYS, CA: 55.938 ppm, CB: 26.515 ppm
       • Redox_state (pred. by CS): reduced
       • Disulfide_bond (coordinates): False, Other_bond (coordinates): False
     • A:182:CYS, CA: 55.719 ppm, CB: 28.69 ppm
       • Redox_state (pred. by CS): reduced
       • Disulfide_bond (coordinates): False, Other_bond (coordinates): False
   • Peptide bond of PRO
     • A:41:PRO, CB: 31.92 ppm, CG: 28.878 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:48:PRO, CB: 31.93 ppm, CG: 26.75 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:90:PRO, CB: 31.98 ppm, CG: 27.46 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:101:PRO, CB: 30.076 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 0.7%, trans 99.3%
       • Peptide_bond (coordinates): trans
     • A:105:PRO, CB: 31.98 ppm, CG: 27.151 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:121:PRO, CB: 31.7 ppm, CG: 28.17 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:158:PRO, CB: 31.4 ppm, CG: 26.691 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:171:PRO, CB: 31.878 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 10.7%, trans 89.3%
       • Peptide_bond (coordinates): trans
     • A:183:PRO, CB: 32.4 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 24.8%, trans 75.2%
       • Peptide_bond (coordinates): trans
   • Tautomeric state of HIS
     • A:40:HIS, CG: None ppm, CD2: 119.514 ppm, ND1: None ppm, ND2: None ppm
       • Tautomeric_state (pred. by CS): biprotonated 70.5%, tau-tautomer 28.5%, pi-tautomer 0.9%
       • Tautomeric_state (coordinates): biprotonated
     • A:146:HIS, CG: None ppm, CD2: 118.973 ppm, ND1: None ppm, ND2: None ppm
       • Tautomeric_state (pred. by CS): biprotonated 54.3%, tau-tautomer 45.2%, pi-tautomer 0.5%
       • Tautomeric_state (coordinates): biprotonated
     • A:178:HIS, CG: None ppm, CD2: 119.761 ppm, ND1: None ppm, ND2: None ppm
       • Tautomeric_state (pred. by CS): biprotonated 75.9%, tau-tautomer 22.9%, pi-tautomer 1.2%
       • Tautomeric_state (coordinates): biprotonated
   • Rotameric state of ILE , LEU, and VAL
     • A:19:LEU, CD1: 20.498 ppm, CD2: 23.144 ppm
       • Rotameric_state (pred. by CS): gauche+ 76.5%, trans 23.5%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche-
     • A:39:LEU, CD1: 22.8 ppm, CD2: 25.088 ppm
       • Rotameric_state (pred. by CS): gauche+ 72.9%, trans 27.1%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:45:VAL, CG1: 21.631 ppm, CG2: 22.02 ppm
       • Rotameric_state (pred. by CS): gauche+ 34.3%, trans 45.5%, gauche- 20.2%
       • Rotameric_state (coordinates): gauche+
     • A:50:VAL, CG1: 20.28 ppm, CG2: 20.901 ppm
       • Rotameric_state (pred. by CS): gauche+ 52.1%, trans 25.9%, gauche- 22.0%
       • Rotameric_state (coordinates): gauche-
     • A:53:LEU, CD1: 22.7 ppm, CD2: 23.738 ppm
       • Rotameric_state (pred. by CS): gauche+ 60.4%, trans 39.6%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
     • A:54:VAL, CG1: 19.581 ppm, CG2: 23.068 ppm
       • Rotameric_state (pred. by CS): gauche+ 55.7%, trans 38.9%, gauche- 5.4%
       • Rotameric_state (coordinates): gauche-
     • A:60:VAL, CG1: 20.872 ppm, CG2: 21.4 ppm
       • Rotameric_state (pred. by CS): gauche+ 44.4%, trans 34.0%, gauche- 21.6%
       • Rotameric_state (coordinates): trans
     • A:62:VAL, CG1: 19.689 ppm, CG2: 21.59 ppm
       • Rotameric_state (pred. by CS): gauche+ 59.7%, trans 27.8%, gauche- 12.5%
       • Rotameric_state (coordinates): gauche+
     • A:63:LEU, CD1: 21.59 ppm, CD2: 24.373 ppm
       • Rotameric_state (pred. by CS): gauche+ 77.8%, trans 22.2%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
     • A:69:LEU, CD1: 22.28 ppm, CD2: 23.725 ppm
       • Rotameric_state (pred. by CS): gauche+ 64.5%, trans 35.5%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:77:VAL, CG1: 20.282 ppm, CG2: 23.704 ppm
       • Rotameric_state (pred. by CS): gauche+ 43.6%, trans 51.5%, gauche- 4.9%
       • Rotameric_state (coordinates): gauche-
     • A:82:ILE, CD1: 13.46 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.6%, trans 72.1%, gauche- 24.4%
       • Rotameric_state (coordinates): trans
     • A:84:LEU, CD1: 23.4 ppm, CD2: 25.427 ppm
       • Rotameric_state (pred. by CS): gauche+ 70.3%, trans 29.7%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:85:VAL, CG1: 20.872 ppm, CG2: 21.339 ppm
       • Rotameric_state (pred. by CS): gauche+ 44.4%, trans 33.4%, gauche- 22.2%
       • Rotameric_state (coordinates): trans
     • A:89:VAL, CG1: 20.311 ppm, CG2: 21.671 ppm
       • Rotameric_state (pred. by CS): gauche+ 51.6%, trans 33.0%, gauche- 15.4%
       • Rotameric_state (coordinates): gauche-
     • A:106:LEU, CD1: 23.134 ppm, CD2: 24.606 ppm
       • Rotameric_state (pred. by CS): gauche+ 64.7%, trans 35.3%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:109:ILE, CD1: 13.476 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.6%, trans 72.4%, gauche- 24.1%
       • Rotameric_state (coordinates): trans
     • A:110:LEU, CD1: 23.134 ppm, CD2: 25.456 ppm
       • Rotameric_state (pred. by CS): gauche+ 73.2%, trans 26.8%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
     • A:115:LEU, CD1: 22.683 ppm, CD2: 24.768 ppm
       • Rotameric_state (pred. by CS): gauche+ 70.9%, trans 29.1%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:122:ILE, CD1: 15.759 ppm
       • Rotameric_state (pred. by CS): gauche+ 4.7%, trans 95.3%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:124:LEU, CD1: 22.28 ppm, CD2: 23.95 ppm
       • Rotameric_state (pred. by CS): gauche+ 66.7%, trans 33.3%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche-
     • A:126:VAL, CG1: 19.191 ppm, CG2: 20.877 ppm
       • Rotameric_state (pred. by CS): gauche+ 66.3%, trans 19.6%, gauche- 14.1%
       • Rotameric_state (coordinates): trans
     • A:131:LEU, CD1: 23.713 ppm, CD2: 25.437 ppm
       • Rotameric_state (pred. by CS): gauche+ 67.2%, trans 32.8%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:133:LEU, CD1: 19.954 ppm, CD2: 24.29 ppm
       • Rotameric_state (pred. by CS): gauche+ 93.4%, trans 6.6%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
     • A:141:ILE, CD1: 12.044 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.3%, trans 47.5%, gauche- 50.1%
       • Rotameric_state (coordinates): trans
     • A:142:ILE, CD1: 11.949 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.3%, trans 45.9%, gauche- 51.8%
       • Rotameric_state (coordinates): trans
     • A:150:ILE, CD1: 14.0 ppm
       • Rotameric_state (pred. by CS): gauche+ 4.0%, trans 81.4%, gauche- 14.5%
       • Rotameric_state (coordinates): trans
     • A:164:VAL, CG1: 22.245 ppm, CG2: 22.571 ppm
       • Rotameric_state (pred. by CS): gauche+ 26.5%, trans 55.6%, gauche- 17.8%
       • Rotameric_state (coordinates): trans
     • A:167:VAL, CG1: 21.072 ppm, CG2: 21.58 ppm
       • Rotameric_state (pred. by CS): gauche+ 41.7%, trans 37.1%, gauche- 21.2%
       • Rotameric_state (coordinates): unspecified gauche+ 40.0%, trans 40.0%, gauche- 20.0%
     • A:172:VAL, CG1: 20.281 ppm, CG2: 21.436 ppm
       • Rotameric_state (pred. by CS): gauche+ 52.2%, trans 30.7%, gauche- 17.1%
       • Rotameric_state (coordinates): trans
     • A:179:ILE, CD1: 14.029 ppm
       • Rotameric_state (pred. by CS): gauche+ 4.0%, trans 81.9%, gauche- 14.0%
       • Rotameric_state (coordinates): gauche+
     • A:180:LEU, CD1: 25.685 ppm, CD2: 26.728 ppm
       • Rotameric_state (pred. by CS): gauche+ 60.4%, trans 39.6%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:186:LEU, CD1: 24.197 ppm, CD2: 24.261 ppm
       • Rotameric_state (pred. by CS): gauche+ 50.6%, trans 49.4%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
     • A:190:VAL, CG1: 20.268 ppm, CG2: 20.861 ppm
       • Rotameric_state (pred. by CS): gauche+ 52.2%, trans 25.5%, gauche- 22.3%
       • Rotameric_state (coordinates): gauche-
     • A:191:ILE, CD1: 13.963 ppm
       • Rotameric_state (pred. by CS): gauche+ 4.0%, trans 80.8%, gauche- 15.2%
       • Rotameric_state (coordinates): gauche-
     • A:194:ILE, CD1: 12.846 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.0%, trans 61.4%, gauche- 35.5%
       • Rotameric_state (coordinates): trans
     • A:200:LEU, CD1: None ppm, CD2: 24.744 ppm
       • Rotameric_state (pred. by CS): gauche+ 48.8%, trans 51.2%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
     • A:206:LEU, CD1: 22.0 ppm, CD2: 23.291 ppm
       • Rotameric_state (pred. by CS): gauche+ 62.9%, trans 37.1%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A
     • Chain_ID: B

Covalent bonds

1. Saveframe: assembly
   • Status: OK

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: 211, Sequence coverage: 85.3%

     ------------10--------20--------30--------40--------50--------60--------70--------80--------90------
     GSSHHHHHHSSGLVPRGSHMGQLGGEEWTRHGSFVNKPTRGWLHPNDKVMGPGVSYLVRYMGCVEVLQSMRALDFNTRTQVTREAISLVCEAVPGAKGAT
                          ||||||||  ||     ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     .....................QLGGEEWT..GS.....TRGWLHPNDKVMGPGVSYLVRYMGCVEVLQSMRALDFNTRTQVTREAISLVCEAVPGAKGAT
     
     -100-------110-------120-------130-------140-------150-------160-------170-------180-------190------
     RRRKPCSRPLSSILGRSNLKFAGMPITLTVSTSSLNLMAADCKQIIANHHMQSISFASGGDPDTAEYVAYVAKDPVNQRACHILECPEGLAQDVISTIGQ
     ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||| 
     RRRKPCSRPLSSILGRSNLKFAGMPITLTVSTSSLNLMAADCKQIIANHHMQSISFASGGDPDTA.YVAYVAKDPVNQRACHILECPEGLAQDVISTIG.
     
     -200-------
     AFELRFKQYLR
     |||||| ||||
     AFELRF.QYLR
     

     • Entity_assembly_ID: B, Chain length: 27, Sequence coverage: 96.3%

     --740-------750-------760--
     RAKWDTANNPLXKEATSTFTNITXRGT
      ||||||||||||||||||||||||||
     .AKWDTANNPLXKEATSTFTNITXRGT
     

   • Total number of restraints: 5568
     • Intra-residue restraints, i = j : 981
     • Sequential restraints, | i - j | = 1 : 1295
       • Backbone-backbone: 246
       • Backbone-side chain: 775
       • Side chain-side chain: 274
     • Medium range restraints, 1 < | i - j | < 5 : 915
       • Backbone-backbone: 132
       • Backbone-side chain: 448
       • Side chain-side chain: 335
     • Long range restraints, | i - j | >= 5 : 2048
     • Inter-chain restraints: 176
     • Symmetric restraints: 153
   • Weight of restraints: 1.0 (5568)
     • Intra-residue restraints, i = j : 1.0 (981)
     • Sequential restraints, | i - j | = 1 : 1.0 (1295)
       • Backbone-backbone: 1.0 (246)
       • Backbone-side chain: 1.0 (775)
       • Side chain-side chain: 1.0 (274)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (915)
       • Backbone-backbone: 1.0 (132)
       • Backbone-side chain: 1.0 (448)
       • Side chain-side chain: 1.0 (335)
     • Long range restraints, | i - j | >= 5 : 1.0 (2048)
     • Inter-chain restraints: 1.0 (176)
     • Symmetric restraints: 1.0 (153)
   • Potential type of restraints: square-well-parabolic (5568)
     • Intra-residue restraints, i = j : square-well-parabolic (981)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (1295)
       • Backbone-backbone: square-well-parabolic (246)
       • Backbone-side chain: square-well-parabolic (775)
       • Side chain-side chain: square-well-parabolic (274)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (915)
       • Backbone-backbone: square-well-parabolic (132)
       • Backbone-side chain: square-well-parabolic (448)
       • Side chain-side chain: square-well-parabolic (335)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (2048)
     • Inter-chain restraints: square-well-parabolic (176)
     • Symmetric restraints: square-well-parabolic (153)
   • Range of distance target values: 1.96, 3.65 (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: A - Chain_ID_2: A
     • Chain_ID_1: B - Chain_ID_2: B
     • Chain_ID_1: A - Chain_ID_2: B
   • Saveframe: CNS/XPLOR_distance_constraints_3
     • Status: Warning
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 211, Sequence coverage: 45.5%
       • Entity_assembly_ID: B, Chain length: 27, Sequence coverage: 22.2%
     • Total number of restraints: 152
       • Long range restraints, | i - j | >= 5 : 1
       • Inter-chain restraints: 2
       • Total hydrogen bond restraints: 149
         • O...H-x: 36
         • O...h-N: 36
         • N...H-x: 1
         • N...h_N: 1
         • Long range: 65
           • O...H-x: 33
           • O...h-N: 31
           • O...h-O: 1
         • Inter-chain: 10
           • O...H-x: 4
           • O...h-N: 4
           • N...H-x (too far!): 2
     • Weight of restraints: 1.0 (152)
       • Long range restraints, | i - j | >= 5 : 1.0 (1)
       • Inter-chain restraints: 1.0 (2)
       • Total hydrogen bond restraints: 1.0 (149)
         • O...H-x: 1.0 (36)
         • O...h-N: 1.0 (36)
         • N...H-x: 1.0 (1)
         • N...h_N: 1.0 (1)
         • Long range: 1.0 (65)
           • O...H-x: 1.0 (33)
           • O...h-N: 1.0 (31)
           • O...h-O: 1.0 (1)
         • Inter-chain: 1.0 (10)
           • O...H-x: 1.0 (4)
           • O...h-N: 1.0 (4)
           • N...H-x (too far!): 1.0 (2)
     • Potential type of restraints: square-well-parabolic (152)
       • Long range restraints, | i - j | >= 5 : square-well-parabolic (1)
       • Inter-chain restraints: square-well-parabolic (2)
       • Total hydrogen bond restraints: square-well-parabolic (149)
         • O...H-x: square-well-parabolic (36)
         • O...h-N: square-well-parabolic (36)
         • N...H-x: square-well-parabolic (1)
         • N...h_N: square-well-parabolic (1)
         • Long range: square-well-parabolic (65)
           • O...H-x: square-well-parabolic (33)
           • O...h-N: square-well-parabolic (31)
           • O...h-O: square-well-parabolic (1)
         • Inter-chain: square-well-parabolic (10)
           • O...H-x: square-well-parabolic (4)
           • O...h-N: square-well-parabolic (4)
           • N...H-x (too far!): square-well-parabolic (2)
     • Range of distance target values: 1.9, 3.0 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
       • Chain_ID: B
     • 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: 211, Sequence coverage: 81.5%

     ------------10--------20--------30--------40--------50--------60--------70--------80--------90------
     GSSHHHHHHSSGLVPRGSHMGQLGGEEWTRHGSFVNKPTRGWLHPNDKVMGPGVSYLVRYMGCVEVLQSMRALDFNTRTQVTREAISLVCEAVPGAKGAT
                         |||||||||| ||||     |||  ||||||  |||||||||||||||||||||||||||||||||||||||||||||||
     ....................GQLGGEEWTR.GSFV.....GWL..NDKVMG..VSYLVRYMGCVEVLQSMRALDFNTRTQVTREAISLVCEAVPGAKGAT
     
     -100-------110-------120-------130-------140-------150-------160-------170-------180-------190------
     RRRKPCSRPLSSILGRSNLKFAGMPITLTVSTSSLNLMAADCKQIIANHHMQSISFASGGDPDTAEYVAYVAKDPVNQRACHILECPEGLAQDVISTIGQ
     |||||||||  ||| |||||||||||||||||||||||||||||||||||||||| |||| |||||||||||||||| |||||||  |||||||||||||
     RRRKPCSRP..SIL.RSNLKFAGMPITLTVSTSSLNLMAADCKQIIANHHMQSIS.ASGG.PDTAEYVAYVAKDPVN.RACHILE..EGLAQDVISTIGQ
     
     -200-------
     AFELRFKQYLR
     | |||||||||
     A.ELRFKQYLR
     

   • Total number of restraints: 218
     • Phi angle constraints: 112
     • Psi angle constraints: 106
   • Total number of restraints per polymer type: 218
     • Protein: 218
   • Weight of restraints: 1.0 (218)
     • Phi angle constraints: 1.0 (112)
     • Psi angle constraints: 1.0 (106)
   • Potential type of restraints: square-well-parabolic (218)
     • Phi angle constraints: square-well-parabolic (112)
     • Psi angle constraints: square-well-parabolic (106)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A