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
591733 2mxe 25405 cing 1-original 3 AMBER dihedral angle 

# 764 atoms read from pdb file prm1.pdb.
# 19 LYS CHI2:  (19 LYS CA)-(19 LYS CB)-(19 LYS CG)-(19 LYS CD) 170.0 190.0
 &rst     iat =   305,   307,   310,   313,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 27 LYS CHI1:  (27 LYS N)-(27 LYS CA)-(27 LYS CB)-(27 LYS CG) 180.0 240.0
 &rst     iat =   426,   428,   430,   433,
   r1 = 179.0, r2 = 180.0, r3 = 240.0, r4 = 241.0,
 &end

# 11 HIS CHI1:  (11 HIS N)-(11 HIS CA)-(11 HIS CB)-(11 HIS CG) 270.0 330.0
 &rst     iat =   185,   187,   189,   192,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 15 VAL CHI1:  (15 VAL N)-(15 VAL CA)-(15 VAL CB)-(15 VAL CG1) 150.0 210.0
 &rst     iat =   239,   241,   243,   245,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 22 ASN CHI1:  (22 ASN N)-(22 ASN CA)-(22 ASN CB)-(22 ASN CG) 150.0 210.0
 &rst     iat =   339,   341,   343,   346,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 24 LYS CHI1:  (24 LYS N)-(24 LYS CA)-(24 LYS CB)-(24 LYS CG) 150.0 210.0
 &rst     iat =   371,   373,   375,   378,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 44 LEU CHI1:  (44 LEU N)-(44 LEU CA)-(44 LEU CB)-(44 LEU CG) 270.0 330.0
 &rst     iat =   701,   703,   705,   708,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 14 GLU CHI2:  (14 GLU CA)-(14 GLU CB)-(14 GLU CG)-(14 GLU CD) 150.0 210.0
 &rst     iat =   226,   228,   231,   234,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 26 LEU CHI2:  (26 LEU CA)-(26 LEU CB)-(26 LEU CG)-(26 LEU CD1)  30.0  90.0
 &rst     iat =   409,   411,   414,   416,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 28 GLU CHI2:  (28 GLU CA)-(28 GLU CB)-(28 GLU CG)-(28 GLU CD) 150.0 210.0
 &rst     iat =   450,   452,   455,   458,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 32 LYS CHI2:  (32 LYS CA)-(32 LYS CB)-(32 LYS CG)-(32 LYS CD) 150.0 210.0
 &rst     iat =   521,   523,   526,   529,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 36 GLU CHI2:  (36 GLU CA)-(36 GLU CB)-(36 GLU CG)-(36 GLU CD) 150.0 210.0
 &rst     iat =   588,   590,   593,   596,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 17 GLU CHI2:  (17 GLU CA)-(17 GLU CB)-(17 GLU CG)-(17 GLU CD) 150.0 210.0
 &rst     iat =   276,   278,   281,   284,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 22 ASN CHI2:  (22 ASN CA)-(22 ASN CB)-(22 ASN CG)-(22 ASN OD1)   0.0  90.0
 &rst     iat =   341,   343,   346,   347,
   r1 =  -1.0, r2 =   0.0, r3 =  90.0, r4 =  91.0,
 &end

# 2 ARG CHI1:  (2 ARG N)-(2 ARG CA)-(2 ARG CB)-(2 ARG CG) 270.0 330.0
 &rst     iat =    13,    15,    17,    20,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

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

Contact the webmaster for help, if required. Monday, June 3, 2024 11:55:00 AM GMT (wattos1)