NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
15586 1ykg 4985 cing 1-original 2 DISCOVER distance hydrogen bond simple


!
! H-Bond helix
!
19:GLY_72:O    19:ARX_76:HN    0.000   2.300   50.00   50.00  1000.000
19:GLY_72:O    19:ARX_76:N     2.500   3.300   50.00   50.00  1000.000
19:ASN_73:O    19:VAL_77:HN    0.000   2.300   50.00   50.00  1000.000
19:ASN_73:O    19:VAL_77:N     2.500   3.300   50.00   50.00  1000.000
19:ALA_74:O    19:ALA_78:HN    0.000   2.300   50.00   50.00  1000.000
19:ALA_74:O    19:ALA_78:N     2.500   3.300   50.00   50.00  1000.000
19:ARX_75:O    19:GLX_79:HN    0.000   2.300   50.00   50.00  1000.000
19:ARX_75:O    19:GLX_79:N     2.500   3.300   50.00   50.00  1000.000
19:ARX_76:O    19:ALA_80:HN    0.000   2.300   50.00   50.00  1000.000
19:ARX_76:O    19:ALA_80:N     2.500   3.300   50.00   50.00  1000.000
19:VAL_77:O    19:LEU_81:HN    0.000   2.300   50.00   50.00  1000.000
19:VAL_77:O    19:LEU_81:N     2.500   3.300   50.00   50.00  1000.000
19:ALA_78:O    19:ARX_82:HN    0.000   2.300   50.00   50.00  1000.000
19:ALA_78:O    19:ARX_82:N     2.500   3.300   50.00   50.00  1000.000
19:GLX_79:O    19:ASX_83:HN    0.000   2.300   50.00   50.00  1000.000
19:GLX_79:O    19:ASX_83:N     2.500   3.300   50.00   50.00  1000.000
19:ALA_80:O    19:ASX_84:HN    0.000   2.300   50.00   50.00  1000.000
19:ALA_80:O    19:ASX_84:N     2.500   3.300   50.00   50.00  1000.000
19:LEU_81:O    19:LEU_85:HN    0.000   2.300   50.00   50.00  1000.000
19:LEU_81:O    19:LEU_85:N     2.500   3.300   50.00   50.00  1000.000
19:ARX_82:O    19:LEU_86:HN    0.000   2.300   50.00   50.00  1000.000
19:ARX_82:O    19:LEU_86:N     2.500   3.300   50.00   50.00  1000.000
19:ASX_83:O    19:ALA_87:HN    0.000   2.300   50.00   50.00  1000.000
19:ASX_83:O    19:ALA_87:N     2.500   3.300   50.00   50.00  1000.000
!
19:ALA_127:O    19:HIS+_131:HN    0.000   2.300   50.00   50.00  1000.000
19:ALA_127:O    19:HIS+_131:N     2.500   3.300   50.00   50.00  1000.000
19:VAL_128:O    19:LYX_132:HN    0.000   2.300   50.00   50.00  1000.000
19:VAL_128:O    19:LYX_132:N     2.500   3.300   50.00   50.00  1000.000
19:ALA_129:O    19:PHE_133:HN    0.000   2.300   50.00   50.00  1000.000
19:ALA_129:O    19:PHE_133:N     2.500   3.300   50.00   50.00  1000.000
19:LEU_130:O    19:LEU_134:HN    0.000   2.300   50.00   50.00  1000.000
19:LEU_130:O    19:LEU_134:N     2.500   3.300   50.00   50.00  1000.000
!
19:CYSH_161:O    19:LYX_165:HN    0.000   2.300   50.00   50.00  1000.000
19:CYSH_161:O    19:LYX_165:N     2.500   3.300   50.00   50.00  1000.000
19:GLN_162:O    19:ASX_166:HN    0.000   2.300   50.00   50.00  1000.000
19:GLN_162:O    19:ASX_166:N     2.500   3.300   50.00   50.00  1000.000
19:SER_163:O    19:PHE_167:HN    0.000   2.300   50.00   50.00  1000.000
19:SER_163:O    19:PHE_167:N     2.500   3.300   50.00   50.00  1000.000
19:GLY_164:O    19:ASX_168:HN    0.000   2.300   50.00   50.00  1000.000
19:GLY_164:O    19:ASX_168:N     2.500   3.300   50.00   50.00  1000.000
19:LYX_165:O    19:SER_169:HN    0.000   2.300   50.00   50.00  1000.000
19:LYX_165:O    19:SER_169:N     2.500   3.300   50.00   50.00  1000.000
19:ASX_166:O    19:LYX_170:HN    0.000   2.300   50.00   50.00  1000.000
19:ASX_166:O    19:LYX_170:N     2.500   3.300   50.00   50.00  1000.000
19:PHE_167:O    19:LEU_171:HN    0.000   2.300   50.00   50.00  1000.000
19:PHE_167:O    19:LEU_171:N     2.500   3.300   50.00   50.00  1000.000
19:ASX_168:O    19:ALA_172:HN    0.000   2.500   50.00   50.00  1000.000
19:ASX_168:O    19:ALA_172:N     2.500   3.300   50.00   50.00  1000.000
19:SER_169:O    19:GLX_173:HN    0.000   2.300   50.00   50.00  1000.000
19:SER_169:O    19:GLX_173:N     2.500   3.300   50.00   50.00  1000.000
19:LYX_170:O    19:LEU_174:HN    0.000   2.300   50.00   50.00  1000.000
19:LYX_170:O    19:LEU_174:N     2.500   3.300   50.00   50.00  1000.000
!
19:TYR_189:O    19:ALA_193:HN    0.000   2.300   50.00   50.00  1000.000
19:TYR_189:O    19:ALA_193:N     2.500   3.300   50.00   50.00  1000.000
19:ALA_191:O    19:GLX_195:HN    0.000   2.300   50.00   50.00  1000.000
19:ALA_191:O    19:GLX_195:N     2.500   3.300   50.00   50.00  1000.000
19:ALA_192:O    19:TRP_196:HN    0.000   2.300   50.00   50.00  1000.000
19:ALA_192:O    19:TRP_196:N     2.500   3.300   50.00   50.00  1000.000
19:ALA_193:O    19:ARX_197:HN    0.000   2.300   50.00   50.00  1000.000
19:ALA_193:O    19:ARX_197:N     2.500   3.300   50.00   50.00  1000.000
19:SER_194:O    19:ALA_198:HN    0.000   2.300   50.00   50.00  1000.000
19:SER_194:O    19:ALA_198:N     2.500   3.300   50.00   50.00  1000.000
19:GLX_195:O    19:ARX_199:HN    0.000   2.300   50.00   50.00  1000.000
19:GLX_195:O    19:ARX_199:N     2.500   3.300   50.00   50.00  1000.000
19:TRP_196:O    19:VAL_200:HN    0.000   2.300   50.00   50.00  1000.000
19:TRP_196:O    19:VAL_200:N     2.500   3.300   50.00   50.00  1000.000
19:ARX_197:O    19:VAL_201:HN    0.000   2.300   50.00   50.00  1000.000
19:ARX_197:O    19:VAL_201:N     2.500   3.300   50.00   50.00  1000.000
19:ALA_198:O    19:ASX_202:HN    0.000   2.300   50.00   50.00  1000.000
19:ALA_198:O    19:ASX_202:N     2.500   3.300   50.00   50.00  1000.000
19:ARX_199:O    19:ALA_203:HN    0.000   2.300   50.00   50.00  1000.000
19:ARX_199:O    19:ALA_203:N     2.500   3.300   50.00   50.00  1000.000
19:VAL_200:O    19:LEU_204:HN    0.000   2.300   50.00   50.00  1000.000
19:VAL_200:O    19:LEU_204:N     2.500   3.300   50.00   50.00  1000.000
19:VAL_201:O    19:LYX_205:HN    0.000   2.300   50.00   50.00  1000.000
19:VAL_201:O    19:LYX_205:N     2.500   3.300   50.00   50.00  1000.000
!
! H-Bond beta sheet
!
19:ASN_91:O    19:ILE_63:HN    0.000   2.300   50.00   50.00  1000.000
19:ASN_91:O    19:ILE_63:N     2.500   3.300   50.00   50.00  1000.000
19:ILE_63:O    19:LYX_93:HN    0.000   2.300   50.00   50.00  1000.000
19:ILE_63:O    19:LYX_93:N     2.500   3.300   50.00   50.00  1000.000
19:LYX_93:O    19:ILE_65:HN    0.000   2.500   50.00   50.00  1000.000
19:LYX_93:O    19:ILE_65:N     2.500   3.500   50.00   50.00  1000.000
19:ILE_65:O    19:VAL_95:HN    0.000   2.300   50.00   50.00  1000.000
19:ILE_65:O    19:VAL_95:N     2.500   3.300   50.00   50.00  1000.000
!
19:VAL_183:O    19:SER_151:HN    0.000   2.500   50.00   50.00  1000.000
19:VAL_183:O    19:SER_151:N     2.500   3.500   50.00   50.00  1000.000
19:SER_151:O    19:ALA_185:HN    0.000   2.300   50.00   50.00  1000.000
19:SER_151:O    19:ALA_185:N     2.500   3.300   50.00   50.00  1000.000
19:ALA_185:O    19:GLY_153:HN    0.000   2.300   50.00   50.00  1000.000
19:ALA_185:O    19:GLY_153:N     2.500   3.300   50.00   50.00  1000.000
!
19:LEU_110:O    19:THR_64:HN 0.000 2.300 50.00 50.00  1000.000
19:LEU_110:O    19:THR_64:N 2.500 3.300 50.00 50.00  1000.000
19:THR_64:O    19:ILE_112:HN 0.000 2.300 50.00 50.00  1000.000
19:THR_64:O    19:ILE_112:N 2.500 3.300 50.00 50.00  1000.000
19:ILE_112:O    19:ILE_66:HN 0.000 2.300 50.00 50.00  1000.000
19:ILE_112:O    19:ILE_66:N 2.500 3.300 50.00 50.00  1000.000
19:ILE_66:O    19:VAL_114:HN 0.000 2.300 50.00 50.00  1000.000
19:ILE_66:O    19:VAL_114:N 2.500 3.300 50.00 50.00  1000.000
19:VAL_114:O    19:ALA_68:HN 0.000 2.300 50.00 50.00  1000.000
19:VAL_114:O    19:ALA_68:N 2.500 3.300 50.00 50.00  1000.000
19:ALA_68:O    19:SER_116:HN 0.000 2.300 50.00 50.00  1000.000
19:ALA_68:O    19:SER_116:N 2.500 3.300 50.00 50.00  1000.000
!
19:LYX_109:O    19:ALA_146:HN    0.000   2.300   50.00   50.00  1000.000
19:LYX_109:O    19:ALA_146:N     2.500   3.300   50.00   50.00  1000.000
19:ALA_146:O    19:LEU_111:HN    0.000   2.300   50.00   50.00  1000.000
19:ALA_146:O    19:LEU_111:N     2.500   3.300   50.00   50.00  1000.000
19:ALA_148:O    19:VAL_113:HN    0.000   2.300   50.00   50.00  1000.000
19:ALA_148:O    19:VAL_113:N     2.500   3.300   50.00   50.00  1000.000
19:VAL_113:O    19:PHE_150:HN    0.000   2.300   50.00   50.00  1000.000
19:VAL_113:O    19:PHE_150:N     2.500   3.300   50.00   50.00  1000.000
19:PHE_150:O    19:THR_115:HN    0.000   2.500   50.00   50.00  1000.000
19:PHE_150:O    19:THR_115:N     2.500   3.500   50.00   50.00  1000.000
19:THR_115:O    19:LEU_152:HN    0.000   2.300   50.00   50.00  1000.000
19:THR_115:O    19:LEU_152:N     2.500   3.300   50.00   50.00  1000.000
!
19:GLX_177:O    19:PHE_147:HN    0.000   2.300   50.00   50.00  1000.000
19:GLX_177:O    19:PHE_147:N     2.500   3.300   50.00   50.00  1000.000
!   
!!H BOND with FMN_PO3 for HN with delta >10 ppm in accordance with CPR structure
19:GLN_70:HN    19:FMN_300:P     0.000   4.000   50.00   50.00  1000.000
19:ASN_73:HN    19:FMN_300:P     0.000   4.000   50.00   50.00  1000.000
19:ALA_74:HN    19:FMN_300:P     0.000   4.000   50.00   50.00  1000.000
!


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, April 19, 2024 11:40:26 PM GMT (wattos1)