NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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6184 |
1ilp   |
cing | 1-original | 3 | DISCOVER | dihedral angle |
#NMR_dihedral ! negative phi for il8 1:GLN_A8:C 1:CYS_A9:N 1:CYS_A9:CA 1:CYS_A9:C -179.0 -1.0 100.00 100.00 1000.0 1:CYS_A9:C 1:ILE_A10:N 1:ILE_A10:CA 1:ILE_A10:C -179.0 -1.0 100.00 100.00 1000.0 1:ILE_A10:C 1:LYS_A11:N 1:LYS_A11:CA 1:LYS_A11:C -179.0 -1.0 100.00 100.00 1000.0 1:LYS_A11:C 1:THR_A12:N 1:THR_A12:CA 1:THR_A12:C -179.0 -1.0 100.00 100.00 1000.0 1:THR_A12:C 1:TYR_A13:N 1:TYR_A13:CA 1:TYR_A13:C -179.0 -1.0 100.00 100.00 1000.0 1:TYR_A13:C 1:SER_A14:N 1:SER_A14:CA 1:SER_A14:C -179.0 -1.0 100.00 100.00 1000.0 1:SER_A14:C 1:LYS_A15:N 1:LYS_A15:CA 1:LYS_A15:C -179.0 -1.0 100.00 100.00 1000.0 1:PRO_A16:C 1:PHE_A17:N 1:PHE_A17:CA 1:PHE_A17:C -179.0 -1.0 100.00 100.00 1000.0 1:PHE_A17:C 1:HIS_A18:N 1:HIS_A18:CA 1:HIS_A18:C -179.0 -1.0 100.00 100.00 1000.0 1:PRO_A19:C 1:LYS_A20:N 1:LYS_A20:CA 1:LYS_A20:C -179.0 -1.0 100.00 100.00 1000.0 1:LYS_A20:C 1:PHE_A21:N 1:PHE_A21:CA 1:PHE_A21:C -179.0 -1.0 100.00 100.00 1000.0 1:PHE_A21:C 1:ILE_A22:N 1:ILE_A22:CA 1:ILE_A22:C -179.0 -1.0 100.00 100.00 1000.0 1:GLU_A38:C 1:ILE_A39:N 1:ILE_A39:CA 1:ILE_A39:C -179.0 -1.0 100.00 100.00 1000.0 1:ILE_A39:C 1:ILE_A40:N 1:ILE_A40:CA 1:ILE_A40:C -179.0 -1.0 100.00 100.00 1000.0 1:ILE_A40:C 1:VAL_A41:N 1:VAL_A41:CA 1:VAL_A41:C -179.0 -1.0 100.00 100.00 1000.0 1:VAL_A41:C 1:LYS_A42:N 1:LYS_A42:CA 1:LYS_A42:C -179.0 -1.0 100.00 100.00 1000.0 1:LYS_A42:C 1:LEU_A43:N 1:LEU_A43:CA 1:LEU_A43:C -179.0 -1.0 100.00 100.00 1000.0 1:LEU_A43:C 1:SER_A44:N 1:SER_A44:CA 1:SER_A44:C -179.0 -1.0 100.00 100.00 1000.0 1:SER_A44:C 1:ASP_A45:N 1:ASP_A45:CA 1:ASP_A45:C -179.0 -1.0 100.00 100.00 1000.0 1:GLY_A46:C 1:ARG_A47:N 1:ARG_A47:CA 1:ARG_A47:C -179.0 -1.0 100.00 100.00 1000.0 1:ARG_A47:C 1:GLU_A48:N 1:GLU_A48:CA 1:GLU_A48:C -179.0 -1.0 100.00 100.00 1000.0 1:GLU_A48:C 1:LEU_A49:N 1:LEU_A49:CA 1:LEU_A49:C -179.0 -1.0 100.00 100.00 1000.0 1:LEU_A49:C 1:CYS_A50:N 1:CYS_A50:CA 1:CYS_A50:C -179.0 -1.0 100.00 100.00 1000.0 1:CYS_A50:C 1:LEU_A51:N 1:LEU_A51:CA 1:LEU_A51:C -179.0 -1.0 100.00 100.00 1000.0 ! !trans peptides for il8 1:GLN_A8:CA 1:GLN_A8:C 1:CYS_A9:N 1:CYS_A9:CA 172.0 -172.0 100.00 100.00 1000.0 1:GLN_A8:O 1:GLN_A8:C 1:CYS_A9:N 1:CYS_A9:HN 172.0 -172.0 100.00 100.00 1000.0 1:CYS_A9:CA 1:CYS_A9:C 1:ILE_A10:N 1:ILE_A10:CA 172.0 -172.0 100.00 100.00 1000.0 1:CYS_A9:O 1:CYS_A9:C 1:ILE_A10:N 1:ILE_A10:HN 172.0 -172.0 100.00 100.00 1000.0 1:ILE_A10:CA 1:ILE_A10:C 1:LYS_A11:N 1:LYS_A11:CA 172.0 -172.0 100.00 100.00 1000.0 1:ILE_A10:O 1:ILE_A10:C 1:LYS_A11:N 1:LYS_A11:HN 172.0 -172.0 100.00 100.00 1000.0 1:LYS_A11:CA 1:LYS_A11:C 1:THR_A12:N 1:THR_A12:CA 172.0 -172.0 100.00 100.00 1000.0 1:LYS_A11:O 1:LYS_A11:C 1:THR_A12:N 1:THR_A12:HN 172.0 -172.0 100.00 100.00 1000.0 1:THR_A12:CA 1:THR_A12:C 1:TYR_A13:N 1:TYR_A13:CA 172.0 -172.0 100.00 100.00 1000.0 1:THR_A12:O 1:THR_A12:C 1:TYR_A13:N 1:TYR_A13:HN 172.0 -172.0 100.00 100.00 1000.0 1:TYR_A13:CA 1:TYR_A13:C 1:SER_A14:N 1:SER_A14:CA 172.0 -172.0 100.00 100.00 1000.0 1:TYR_A13:O 1:TYR_A13:C 1:SER_A14:N 1:SER_A14:HN 172.0 -172.0 100.00 100.00 1000.0 1:SER_A14:CA 1:SER_A14:C 1:LYS_A15:N 1:LYS_A15:CA 172.0 -172.0 100.00 100.00 1000.0 1:SER_A14:O 1:SER_A14:C 1:LYS_A15:N 1:LYS_A15:HN 172.0 -172.0 100.00 100.00 1000.0 1:LYS_A15:CA 1:LYS_A15:C 1:PRO_A16:N 1:PRO_A16:CA 172.0 -172.0 100.00 100.00 1000.0 1:PRO_A16:CA 1:PRO_A16:C 1:PHE_A17:N 1:PHE_A17:CA 172.0 -172.0 100.00 100.00 1000.0 1:PRO_A16:O 1:PRO_A16:C 1:PHE_A17:N 1:PHE_A17:HN 172.0 -172.0 100.00 100.00 1000.0 1:PHE_A17:CA 1:PHE_A17:C 1:HIS_A18:N 1:HIS_A18:CA 172.0 -172.0 100.00 100.00 1000.0 1:PHE_A17:O 1:PHE_A17:C 1:HIS_A18:N 1:HIS_A18:HN 172.0 -172.0 100.00 100.00 1000.0 1:HIS_A18:CA 1:HIS_A18:C 1:PRO_A19:N 1:PRO_A19:CA 172.0 -172.0 100.00 100.00 1000.0 1:PRO_A19:CA 1:PRO_A19:C 1:LYS_A20:N 1:LYS_A20:CA 172.0 -172.0 100.00 100.00 1000.0 1:PRO_A19:O 1:PRO_A19:C 1:LYS_A20:N 1:LYS_A20:HN 172.0 -172.0 100.00 100.00 1000.0 1:LYS_A20:CA 1:LYS_A20:C 1:PHE_A21:N 1:PHE_A21:CA 172.0 -172.0 100.00 100.00 1000.0 1:LYS_A20:O 1:LYS_A20:C 1:PHE_A21:N 1:PHE_A21:HN 172.0 -172.0 100.00 100.00 1000.0 1:PHE_A21:CA 1:PHE_A21:C 1:ILE_A22:N 1:ILE_A22:CA 172.0 -172.0 100.00 100.00 1000.0 1:PHE_A21:O 1:PHE_A21:C 1:ILE_A22:N 1:ILE_A22:HN 172.0 -172.0 100.00 100.00 1000.0 1:GLU_A38:CA 1:GLU_A38:C 1:ILE_A39:N 1:ILE_A39:CA 172.0 -172.0 100.00 100.00 1000.0 1:GLU_A38:O 1:GLU_A38:C 1:ILE_A39:N 1:ILE_A39:HN 172.0 -172.0 100.00 100.00 1000.0 1:ILE_A39:CA 1:ILE_A39:C 1:ILE_A40:N 1:ILE_A40:CA 172.0 -172.0 100.00 100.00 1000.0 1:ILE_A39:O 1:ILE_A39:C 1:ILE_A40:N 1:ILE_A40:HN 172.0 -172.0 100.00 100.00 1000.0 1:ILE_A40:CA 1:ILE_A40:C 1:VAL_A41:N 1:VAL_A41:CA 172.0 -172.0 100.00 100.00 1000.0 1:ILE_A40:O 1:ILE_A40:C 1:VAL_A41:N 1:VAL_A41:HN 172.0 -172.0 100.00 100.00 1000.0 1:VAL_A41:CA 1:VAL_A41:C 1:LYS_A42:N 1:LYS_A42:CA 172.0 -172.0 100.00 100.00 1000.0 1:VAL_A41:O 1:VAL_A41:C 1:LYS_A42:N 1:LYS_A42:HN 172.0 -172.0 100.00 100.00 1000.0 1:LYS_A42:CA 1:LYS_A42:C 1:LEU_A43:N 1:LEU_A43:CA 172.0 -172.0 100.00 100.00 1000.0 1:LYS_A42:O 1:LYS_A42:C 1:LEU_A43:N 1:LEU_A43:HN 172.0 -172.0 100.00 100.00 1000.0 1:LEU_A43:CA 1:LEU_A43:C 1:SER_A44:N 1:SER_A44:CA 172.0 -172.0 100.00 100.00 1000.0 1:LEU_A43:O 1:LEU_A43:C 1:SER_A44:N 1:SER_A44:HN 172.0 -172.0 100.00 100.00 1000.0 1:SER_A44:CA 1:SER_A44:C 1:ASP_A45:N 1:ASP_A45:CA 172.0 -172.0 100.00 100.00 1000.0 1:SER_A44:O 1:SER_A44:C 1:ASP_A45:N 1:ASP_A45:HN 172.0 -172.0 100.00 100.00 1000.0 1:ASP_A45:CA 1:ASP_A45:C 1:GLY_A46:N 1:GLY_A46:CA 172.0 -172.0 100.00 100.00 1000.0 1:ASP_A45:O 1:ASP_A45:C 1:GLY_A46:N 1:GLY_A46:HN 172.0 -172.0 100.00 100.00 1000.0 1:GLY_A46:CA 1:GLY_A46:C 1:ARG_A47:N 1:ARG_A47:CA 172.0 -172.0 100.00 100.00 1000.0 1:GLY_A46:O 1:GLY_A46:C 1:ARG_A47:N 1:ARG_A47:HN 172.0 -172.0 100.00 100.00 1000.0 1:ARG_A47:CA 1:ARG_A47:C 1:GLU_A48:N 1:GLU_A48:CA 172.0 -172.0 100.00 100.00 1000.0 1:ARG_A47:O 1:ARG_A47:C 1:GLU_A48:N 1:GLU_A48:HN 172.0 -172.0 100.00 100.00 1000.0 1:GLU_A48:CA 1:GLU_A48:C 1:LEU_A49:N 1:LEU_A49:CA 172.0 -172.0 100.00 100.00 1000.0 1:GLU_A48:O 1:GLU_A48:C 1:LEU_A49:N 1:LEU_A49:HN 172.0 -172.0 100.00 100.00 1000.0 1:LEU_A49:CA 1:LEU_A49:C 1:CYS_A50:N 1:CYS_A50:CA 172.0 -172.0 100.00 100.00 1000.0 1:LEU_A49:O 1:LEU_A49:C 1:CYS_A50:N 1:CYS_A50:HN 172.0 -172.0 100.00 100.00 1000.0 1:CYS_A50:CA 1:CYS_A50:C 1:LEU_A51:N 1:LEU_A51:CA 172.0 -172.0 100.00 100.00 1000.0 1:CYS_A50:O 1:CYS_A50:C 1:LEU_A51:N 1:LEU_A51:HN 172.0 -172.0 100.00 100.00 1000.0 #NMR_dihedral ! peptide negative phi 1:MET_C1:C 1:TRP_C2:N 1:TRP_C2:CA 1:TRP_C2:C -179.0 -1.0 100.00 100.00 1000.0 1:TRP_C2:C 1:ASP_C3:N 1:ASP_C3:CA 1:ASP_C3:C -179.0 -1.0 100.00 100.00 1000.0 1:ASP_C3:C 1:PHE_C4:N 1:PHE_C4:CA 1:PHE_C4:C -179.0 -1.0 100.00 100.00 1000.0 1:PHE_C4:C 1:ASP_C5:N 1:ASP_C5:CA 1:ASP_C5:C -179.0 -1.0 100.00 100.00 1000.0 1:ASP_C5:C 1:ASP_C6:N 1:ASP_C6:CA 1:ASP_C6:C -179.0 -1.0 100.00 100.00 1000.0 1:HEX_C7:C 1:MET_C8:N 1:MET_C8:CA 1:MET_C8:C -179.0 -1.0 100.00 100.00 1000.0 1:PRO_C10:C 1:ALA_C11:N 1:ALA_C11:CA 1:ALA_C11:C -179.0 -1.0 100.00 100.00 1000.0 1:ALA_C11:C 1:ASP_C12:N 1:ASP_C12:CA 1:ASP_C12:C -179.0 -1.0 100.00 100.00 1000.0 1:ASP_C12:C 1:GLU_C13:N 1:GLU_C13:CA 1:GLU_C13:C -179.0 -1.0 100.00 100.00 1000.0 1:GLU_C13:C 1:ASP_C14:N 1:ASP_C14:CA 1:ASP_C14:C -179.0 -1.0 100.00 100.00 1000.0 1:ASP_C14:C 1:TYR_C15:N 1:TYR_C15:CA 1:TYR_C15:C -179.0 -1.0 100.00 100.00 1000.0 1:TYR_C15:C 1:SER_C16:N 1:SER_C16:CA 1:SER_C16:C -179.0 -1.0 100.00 100.00 1000.0 ! ! peptide trans peptide 1:MET_C1:CA 1:MET_C1:C 1:TRP_C2:N 1:TRP_C2:CA 172.0 -172.0 100.00 100.00 1000.0 1:MET_C1:O 1:MET_C1:C 1:TRP_C2:N 1:TRP_C2:HN 172.0 -172.0 100.00 100.00 1000.0 1:TRP_C2:CA 1:TRP_C2:C 1:ASP_C3:N 1:ASP_C3:CA 172.0 -172.0 100.00 100.00 1000.0 1:TRP_C2:O 1:TRP_C2:C 1:ASP_C3:N 1:ASP_C3:HN 172.0 -172.0 100.00 100.00 1000.0 1:ASP_C3:CA 1:ASP_C3:C 1:PHE_C4:N 1:PHE_C4:CA 172.0 -172.0 100.00 100.00 1000.0 1:ASP_C3:O 1:ASP_C3:C 1:PHE_C4:N 1:PHE_C4:HN 172.0 -172.0 100.00 100.00 1000.0 1:PHE_C4:CA 1:PHE_C4:C 1:ASP_C5:N 1:ASP_C5:CA 172.0 -172.0 100.00 100.00 1000.0 1:PHE_C4:O 1:PHE_C4:C 1:ASP_C5:N 1:ASP_C5:HN 172.0 -172.0 100.00 100.00 1000.0 1:ASP_C5:CA 1:ASP_C5:C 1:ASP_C6:N 1:ASP_C6:CA 172.0 -172.0 100.00 100.00 1000.0 1:ASP_C5:O 1:ASP_C5:C 1:ASP_C6:N 1:ASP_C6:HN 172.0 -172.0 100.00 100.00 1000.0 1:ASP_C6:CA 1:ASP_C6:C 1:HEX_C7:N 1:HEX_C7:CA 172.0 -172.0 100.00 100.00 1000.0 1:ASP_C6:O 1:ASP_C6:C 1:HEX_C7:N 1:HEX_C7:HN 172.0 -172.0 100.00 100.00 1000.0 ! NB CE not CA for hex 1:HEX_C7:CE 1:HEX_C7:C 1:MET_C8:N 1:MET_C8:CA 172.0 -172.0 100.00 100.00 1000.0 1:HEX_C7:O 1:HEX_C7:C 1:MET_C8:N 1:MET_C8:HN 172.0 -172.0 100.00 100.00 1000.0 1:MET_C8:CA 1:MET_C8:C 1:PRO_C9:N 1:PRO_C9:CA 172.0 -172.0 100.00 100.00 1000.0 1:PRO_C9:CA 1:PRO_C9:C 1:PRO_C10:N 1:PRO_C10:CA 172.0 -172.0 100.00 100.00 1000.0 1:PRO_C10:CA 1:PRO_C10:C 1:ALA_C11:N 1:ALA_C11:CA 172.0 -172.0 100.00 100.00 1000.0 1:PRO_C10:O 1:PRO_C10:C 1:ALA_C11:N 1:ALA_C11:HN 172.0 -172.0 100.00 100.00 1000.0 1:ALA_C11:CA 1:ALA_C11:C 1:ASP_C12:N 1:ASP_C12:CA 172.0 -172.0 100.00 100.00 1000.0 1:ALA_C11:O 1:ALA_C11:C 1:ASP_C12:N 1:ASP_C12:HN 172.0 -172.0 100.00 100.00 1000.0 1:ASP_C12:CA 1:ASP_C12:C 1:GLU_C13:N 1:GLU_C13:CA 172.0 -172.0 100.00 100.00 1000.0 1:ASP_C12:O 1:ASP_C12:C 1:GLU_C13:N 1:GLU_C13:HN 172.0 -172.0 100.00 100.00 1000.0 1:GLU_C13:CA 1:GLU_C13:C 1:ASP_C14:N 1:ASP_C14:CA 172.0 -172.0 100.00 100.00 1000.0 1:GLU_C13:O 1:GLU_C13:C 1:ASP_C14:N 1:ASP_C14:HN 172.0 -172.0 100.00 100.00 1000.0 1:ASP_C14:CA 1:ASP_C14:C 1:TYR_C15:N 1:TYR_C15:CA 172.0 -172.0 100.00 100.00 1000.0 1:ASP_C14:O 1:ASP_C14:C 1:TYR_C15:N 1:TYR_C15:HN 172.0 -172.0 100.00 100.00 1000.0 1:TYR_C15:CA 1:TYR_C15:C 1:SER_C16:N 1:SER_C16:CA 172.0 -172.0 100.00 100.00 1000.0 1:TYR_C15:O 1:TYR_C15:C 1:SER_C16:N 1:SER_C16:HN 172.0 -172.0 100.00 100.00 1000.0 1:SER_C16:CA 1:SER_C16:C 1:PRO_C17:N 1:PRO_C17:CA 172.0 -172.0 100.00 100.00 1000.0 ! ! flat aromatics ! 1:TYR_C15:CB 1:TYR_C15:CG 1:TYR_C15:CD1 1:TYR_C15:CE1 178.0 -178.0 100.00 100.00 1000.0 1:TYR_C15:CB 1:TYR_C15:CG 1:TYR_C15:CD2 1:TYR_C15:CE2 178.0 -178.0 100.00 100.00 1000.0 1:TYR_C15:OH 1:TYR_C15:CZ 1:TYR_C15:CE1 1:TYR_C15:CD1 178.0 -178.0 100.00 100.00 1000.0 1:TYR_C15:OH 1:TYR_C15:CZ 1:TYR_C15:CE2 1:TYR_C15:CD2 178.0 -178.0 100.00 100.00 1000.0 1:TYR_C15:CG 1:TYR_C15:CD1 1:TYR_C15:CE1 1:TYR_C15:CZ -2.0 2.0 100.00 100.00 1000.0 1:TYR_C15:CG 1:TYR_C15:CD2 1:TYR_C15:CE2 1:TYR_C15:CZ -2.0 2.0 100.00 100.00 1000.0 ! 1:TYR_A13:CB 1:TYR_A13:CG 1:TYR_A13:CD1 1:TYR_A13:CE1 178.0 -178.0 100.00 100.00 1000.0 1:TYR_A13:CB 1:TYR_A13:CG 1:TYR_A13:CD2 1:TYR_A13:CE2 178.0 -178.0 100.00 100.00 1000.0 1:TYR_A13:OH 1:TYR_A13:CZ 1:TYR_A13:CE1 1:TYR_A13:CD1 178.0 -178.0 100.00 100.00 1000.0 1:TYR_A13:OH 1:TYR_A13:CZ 1:TYR_A13:CE2 1:TYR_A13:CD2 178.0 -178.0 100.00 100.00 1000.0 1:TYR_A13:CG 1:TYR_A13:CD1 1:TYR_A13:CE1 1:TYR_A13:CZ -2.0 2.0 100.00 100.00 1000.0 1:TYR_A13:CG 1:TYR_A13:CD2 1:TYR_A13:CE2 1:TYR_A13:CZ -2.0 2.0 100.00 100.00 1000.0 ! 1:PHE_A17:CB 1:PHE_A17:CG 1:PHE_A17:CD1 1:PHE_A17:CE1 178.0 -178.0 100.00 100.00 1000.0 1:PHE_A17:CB 1:PHE_A17:CG 1:PHE_A17:CD2 1:PHE_A17:CE2 178.0 -178.0 100.00 100.00 1000.0 1:PHE_A17:CG 1:PHE_A17:CD1 1:PHE_A17:CE1 1:PHE_A17:CZ -2.0 2.0 100.00 100.00 1000.0 1:PHE_A17:CG 1:PHE_A17:CD2 1:PHE_A17:CE2 1:PHE_A17:CZ -2.0 2.0 100.00 100.00 1000.0 1:PHE_A17:CD1 1:PHE_A17:CE1 1:PHE_A17:CZ 1:PHE_A17:CE2 -2.0 2.0 100.00 100.00 1000.0 1:PHE_A17:CD2 1:PHE_A17:CE2 1:PHE_A17:CZ 1:PHE_A17:CE1 -2.0 2.0 100.00 100.00 1000.0 ! 1:PHE_A21:CB 1:PHE_A21:CG 1:PHE_A21:CD1 1:PHE_A21:CE1 178.0 -178.0 100.00 100.00 1000.0 1:PHE_A21:CB 1:PHE_A21:CG 1:PHE_A21:CD2 1:PHE_A21:CE2 178.0 -178.0 100.00 100.00 1000.0 1:PHE_A21:CG 1:PHE_A21:CD1 1:PHE_A21:CE1 1:PHE_A21:CZ -2.0 2.0 100.00 100.00 1000.0 1:PHE_A21:CG 1:PHE_A21:CD2 1:PHE_A21:CE2 1:PHE_A21:CZ -2.0 2.0 100.00 100.00 1000.0 1:PHE_A21:CD1 1:PHE_A21:CE1 1:PHE_A21:CZ 1:PHE_A21:CE2 -2.0 2.0 100.00 100.00 1000.0 1:PHE_A21:CD2 1:PHE_A21:CE2 1:PHE_A21:CZ 1:PHE_A21:CE1 -2.0 2.0 100.00 100.00 1000.0
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