NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
21122 | 2h3z | cing | 1-original | 2 | DYANA/DIANA | distance | hydrogen bond | simple |
############################################################# ################ Side Chain H-bonds ################### 9 SER H 12 GLU OE1 2.0 1.00E+00 9 SER N 12 GLU OE1 3.0 1.00E+00 29 TYR OH 97 THR HG1 2.0 1.00E+00 29 TYR OH 97 THR OG1 3.0 1.00E+00 30 LYS H 33 HISB ND1 2.0 1.00E+00 30 LYS N 33 HISB ND1 3.0 1.00E+00 99 GLU H 96 ASP OD1 2.0 1.00E+00 99 GLU N 96 ASP OD1 3.0 1.00E+00 56 GLY H 53 THR OG1 2.0 1.00E+00 #Helix cap 56 GLY N 53 THR OG1 3.0 1.00E+00 #Helix cap 89 HIS+ HD1 12 GLU OE2 2.0 1.00E+00 89 HIS+ ND1 12 GLU OE2 3.0 1.00E+00 #89 HIS+ HE2 51 LEU O 2.0 1.00E+00 #89 HIS+ NE2 51 LEU O 3.0 1.00E+00 #21 LEU H 27 LYS O 2.0 1.00E+00 #21 LEU N 27 LYS O 3.0 1.00E+00 ############# PIPB NOEs and Restraints ####################### # Intramolecular PIPB NOEs 300 PIPB H2' 300 PIPB H81 2.7 1.00E+00 300 PIPB H2' 300 PIPB H82 2.7 1.00E+00 #300 PIPB H3'1 300 PIPB H1'1 2.7 1.00E+00 # Intermolecular PIPB NOEs 300 PIPB C10 21 LEU QD2 3.8 1.00E+00 300 PIPB C10 29 TYR HE1 3.8 1.00E+00 300 PIPB C10 77 SER QB 5.5 1.00E+00 300 PIPB H2' 36 TRP HD1 5.0 1.00E+00 300 PIPB H2' 36 TRP HE1 5.0 1.00E+00 300 PIPB H2' 33 HISB HD2 5.0 1.00E+00 300 PIPB C1' 36 TRP HD1 5.5 1.00E+00 300 PIPB H1'1 33 HISB HD2 3.3 1.00E+00 300 PIPB H1'2 33 HISB HD2 3.3 1.00E+00 300 PIPB C8 29 TYR HE1 5.5 1.00E+00 300 PIPB C8 36 TRP HE3 5.5 1.00E+00 300 PIPB C8 36 TRP HZ3 5.5 1.00E+00 300 PIPB H1 21 LEU QD1 3.3 1.00E+00 300 PIPB H1 21 LEU QD2 5.0 1.00E+00 300 PIPB H2 21 LEU QD1 5.0 1.00E+00 300 PIPB H2 27 LYS QE 3.3 1.00E+00 300 PIPB H2 27 LYS QD 3.3 1.00E+00 300 PIPB H3 21 LEU QD1 3.3 1.00E+00 300 PIPB H3 21 LEU QD2 5.0 1.00E+00 300 PIPB H5 21 LEU QD1 5.0 1.00E+00 300 PIPB H5 21 LEU QD2 5.0 1.00E+00 #stronger than QD1 300 PIPB H1 27 LYS QD 5.0 1.00E+00 300 PIPB H1 27 LYS QE 5.0 1.00E+00 300 PIPB H2 27 LYS QD 5.0 1.00E+00 300 PIPB H2 27 LYS QD 5.0 1.00E+00 # Intermolecular H-bonds and salt bridges #300 PIPB OP2 33 HISB HE2 3.0 1.00E+00 300 PIPB OP2 27 LYS HZ1 3.0 1.00E+00 300 PIPB OP3 27 LYS HZ1 3.0 1.00E+00 300 PIPB O41 22 ARG HE 3.0 1.00E+00 300 PIPB O51 76 ARG HH22 3.0 1.00E+00
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