NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
501716 2kw1 cing 1-original 1 AMBER dihedral angle


# 1387 atoms read from pdb file amber.pdb.
# 9 THR PHI:  (8 ASN C)-(9 THR N)-(9 THR CA)-(9 THR C) -152.7 -92.7
 &rst     iat =   127,   129,   131,   141,
   r1 = -153.7, r2 = -152.7, r3 = -92.7, r4 = -91.7,
   rk2 =   50.0, rk3 =   50.0,    &end

# 9 THR PSI:  (9 THR N)-(9 THR CA)-(9 THR C)-(10 TRP N) 102.5 162.5
 &rst     iat =   129,   131,   141,   143,
   r1 = 101.5, r2 = 102.5, r3 = 162.5, r4 = 163.5,
 &end

# 10 TRP PHI:  (9 THR C)-(10 TRP N)-(10 TRP CA)-(10 TRP C) -166.0 -106.0
 &rst     iat =   141,   143,   145,   165,
   r1 = -167.0, r2 = -166.0, r3 = -106.0, r4 = -105.0,
 &end

# 10 TRP PSI:  (10 TRP N)-(10 TRP CA)-(10 TRP C)-(11 VAL N) 116.8 176.8
 &rst     iat =   143,   145,   165,   167,
   r1 = 115.8, r2 = 116.8, r3 = 176.8, r4 = 177.8,
 &end

# 11 VAL PHI:  (10 TRP C)-(11 VAL N)-(11 VAL CA)-(11 VAL C) -139.3 -79.3
 &rst     iat =   165,   167,   169,   181,
   r1 = -140.3, r2 = -139.3, r3 = -79.3, r4 = -78.3,
 &end

# 11 VAL PSI:  (11 VAL N)-(11 VAL CA)-(11 VAL C)-(12 LEU N) 106.1 166.1
 &rst     iat =   167,   169,   181,   183,
   r1 = 105.1, r2 = 106.1, r3 = 166.1, r4 = 167.1,
 &end

# 12 LEU PHI:  (11 VAL C)-(12 LEU N)-(12 LEU CA)-(12 LEU C) -155.3 -95.3
 &rst     iat =   181,   183,   185,   200,
   r1 = -156.3, r2 = -155.3, r3 = -95.3, r4 = -94.3,
 &end

# 12 LEU PSI:  (12 LEU N)-(12 LEU CA)-(12 LEU C)-(13 HIS N)  96.6 156.6
 &rst     iat =   183,   185,   200,   202,
   r1 =  95.6, r2 =  96.6, r3 = 156.6, r4 = 157.6,
 &end

# 13 HIS PHI:  (12 LEU C)-(13 HIS N)-(13 HIS CA)-(13 HIS C) -136.7 -76.7
 &rst     iat =   200,   202,   204,   217,
   r1 = -137.7, r2 = -136.7, r3 = -76.7, r4 = -75.7,
 &end

# 13 HIS PSI:  (13 HIS N)-(13 HIS CA)-(13 HIS C)-(14 MET N)  99.2 159.2
 &rst     iat =   202,   204,   217,   219,
   r1 =  98.2, r2 =  99.2, r3 = 159.2, r4 = 160.2,
 &end

# 19 PHE PHI:  (18 ASN C)-(19 PHE N)-(19 PHE CA)-(19 PHE C) -142.9 -82.9
 &rst     iat =   282,   284,   286,   302,
   r1 = -143.9, r2 = -142.9, r3 = -82.9, r4 = -81.9,
 &end

# 19 PHE PSI:  (19 PHE N)-(19 PHE CA)-(19 PHE C)-(20 ARG N) 102.3 162.3
 &rst     iat =   284,   286,   302,   304,
   r1 = 101.3, r2 = 102.3, r3 = 162.3, r4 = 163.3,
 &end

# 20 ARG PHI:  (19 PHE C)-(20 ARG N)-(20 ARG CA)-(20 ARG C) -132.1 -72.1
 &rst     iat =   302,   304,   306,   326,
   r1 = -133.1, r2 = -132.1, r3 = -72.1, r4 = -71.1,
 &end

# 20 ARG PSI:  (20 ARG N)-(20 ARG CA)-(20 ARG C)-(21 ILE N)  92.8 152.8
 &rst     iat =   304,   306,   326,   328,
   r1 =  91.8, r2 =  92.8, r3 = 152.8, r4 = 153.8,
 &end

# 21 ILE PHI:  (20 ARG C)-(21 ILE N)-(21 ILE CA)-(21 ILE C) -142.1 -82.1
 &rst     iat =   326,   328,   330,   345,
   r1 = -143.1, r2 = -142.1, r3 = -82.1, r4 = -81.1,
 &end

# 21 ILE PSI:  (21 ILE N)-(21 ILE CA)-(21 ILE C)-(22 VAL N)  94.7 154.7
 &rst     iat =   328,   330,   345,   347,
   r1 =  93.7, r2 =  94.7, r3 = 154.7, r4 = 155.7,
 &end

# 22 VAL PHI:  (21 ILE C)-(22 VAL N)-(22 VAL CA)-(22 VAL C) -154.3 -94.3
 &rst     iat =   345,   347,   349,   361,
   r1 = -155.3, r2 = -154.3, r3 = -94.3, r4 = -93.3,
 &end

# 22 VAL PSI:  (22 VAL N)-(22 VAL CA)-(22 VAL C)-(23 LEU N) 104.8 164.8
 &rst     iat =   347,   349,   361,   363,
   r1 = 103.8, r2 = 104.8, r3 = 164.8, r4 = 165.8,
 &end

# 23 LEU PHI:  (22 VAL C)-(23 LEU N)-(23 LEU CA)-(23 LEU C) -148.7 -88.7
 &rst     iat =   361,   363,   365,   380,
   r1 = -149.7, r2 = -148.7, r3 = -88.7, r4 = -87.7,
 &end

# 23 LEU PSI:  (23 LEU N)-(23 LEU CA)-(23 LEU C)-(24 GLU N)  94.6 154.6
 &rst     iat =   363,   365,   380,   382,
   r1 =  93.6, r2 =  94.6, r3 = 154.6, r4 = 155.6,
 &end

# 24 GLU PHI:  (23 LEU C)-(24 GLU N)-(24 GLU CA)-(24 GLU C) -123.5 -63.5
 &rst     iat =   380,   382,   384,   395,
   r1 = -124.5, r2 = -123.5, r3 = -63.5, r4 = -62.5,
 &end

# 24 GLU PSI:  (24 GLU N)-(24 GLU CA)-(24 GLU C)-(25 LYS N) 113.5 173.5
 &rst     iat =   382,   384,   395,   397,
   r1 = 112.5, r2 = 113.5, r3 = 173.5, r4 = 174.5,
 &end

# 30 VAL PHI:  (29 ASP C)-(30 VAL N)-(30 VAL CA)-(30 VAL C) -146.8 -86.8
 &rst     iat =   468,   470,   472,   484,
   r1 = -147.8, r2 = -146.8, r3 = -86.8, r4 = -85.8,
 &end

# 30 VAL PSI:  (30 VAL N)-(30 VAL CA)-(30 VAL C)-(31 TRP N)  89.7 149.7
 &rst     iat =   470,   472,   484,   486,
   r1 =  88.7, r2 =  89.7, r3 = 149.7, r4 = 150.7,
 &end

# 31 TRP PHI:  (30 VAL C)-(31 TRP N)-(31 TRP CA)-(31 TRP C) -145.8 -85.8
 &rst     iat =   484,   486,   488,   508,
   r1 = -146.8, r2 = -145.8, r3 = -85.8, r4 = -84.8,
 &end

# 31 TRP PSI:  (31 TRP N)-(31 TRP CA)-(31 TRP C)-(32 CYS N) 100.5 160.5
 &rst     iat =   486,   488,   508,   510,
   r1 =  99.5, r2 = 100.5, r3 = 160.5, r4 = 161.5,
 &end

# 32 CYS PHI:  (31 TRP C)-(32 CYS N)-(32 CYS CA)-(32 CYS C) -149.5 -89.5
 &rst     iat =   508,   510,   512,   519,
   r1 = -150.5, r2 = -149.5, r3 = -89.5, r4 = -88.5,
 &end

# 32 CYS PSI:  (32 CYS N)-(32 CYS CA)-(32 CYS C)-(33 ASN N)  84.2 144.2
 &rst     iat =   510,   512,   519,   521,
   r1 =  83.2, r2 =  84.2, r3 = 144.2, r4 = 145.2,
 &end

# 48 THR PHI:  (47 GLY C)-(48 THR N)-(48 THR CA)-(48 THR C) -145.2 -85.2
 &rst     iat =   731,   733,   735,   745,
   r1 = -146.2, r2 = -145.2, r3 = -85.2, r4 = -84.2,
 &end

# 48 THR PSI:  (48 THR N)-(48 THR CA)-(48 THR C)-(49 GLU N) 116.3 176.3
 &rst     iat =   733,   735,   745,   747,
   r1 = 115.3, r2 = 116.3, r3 = 176.3, r4 = 177.3,
 &end

# 49 GLU PHI:  (48 THR C)-(49 GLU N)-(49 GLU CA)-(49 GLU C) -162.3 -102.3
 &rst     iat =   745,   747,   749,   760,
   r1 = -163.3, r2 = -162.3, r3 = -102.3, r4 = -101.3,
 &end

# 49 GLU PSI:  (49 GLU N)-(49 GLU CA)-(49 GLU C)-(50 THR N) 106.9 166.9
 &rst     iat =   747,   749,   760,   762,
   r1 = 105.9, r2 = 106.9, r3 = 166.9, r4 = 167.9,
 &end

# 50 THR PHI:  (49 GLU C)-(50 THR N)-(50 THR CA)-(50 THR C) -126.8 -66.8
 &rst     iat =   760,   762,   764,   774,
   r1 = -127.8, r2 = -126.8, r3 = -66.8, r4 = -65.8,
 &end

# 50 THR PSI:  (50 THR N)-(50 THR CA)-(50 THR C)-(51 HIS N)  93.4 153.4
 &rst     iat =   762,   764,   774,   776,
   r1 =  92.4, r2 =  93.4, r3 = 153.4, r4 = 154.4,
 &end

# 52 PHE PHI:  (51 HIS C)-(52 PHE N)-(52 PHE CA)-(52 PHE C) -177.8 -117.8
 &rst     iat =   791,   793,   795,   811,
   r1 = -178.8, r2 = -177.8, r3 = -117.8, r4 = -116.8,
 &end

# 52 PHE PSI:  (52 PHE N)-(52 PHE CA)-(52 PHE C)-(53 SER N) 130.3 190.3
 &rst     iat =   793,   795,   811,   813,
   r1 = 129.3, r2 = 130.3, r3 = 190.3, r4 = 191.3,
 &end

# 53 SER PHI:  (52 PHE C)-(53 SER N)-(53 SER CA)-(53 SER C) -153.1 -93.0
 &rst     iat =   811,   813,   815,   822,
   r1 = -154.1, r2 = -153.1, r3 = -93.0, r4 = -92.0,
 &end

# 53 SER PSI:  (53 SER N)-(53 SER CA)-(53 SER C)-(54 ILE N) 117.0 177.0
 &rst     iat =   813,   815,   822,   824,
   r1 = 116.0, r2 = 117.0, r3 = 177.0, r4 = 178.0,
 &end

# 54 ILE PHI:  (53 SER C)-(54 ILE N)-(54 ILE CA)-(54 ILE C) -144.3 -84.3
 &rst     iat =   822,   824,   826,   841,
   r1 = -145.3, r2 = -144.3, r3 = -84.3, r4 = -83.3,
 &end

# 54 ILE PSI:  (54 ILE N)-(54 ILE CA)-(54 ILE C)-(55 GLY N)  94.7 154.7
 &rst     iat =   824,   826,   841,   843,
   r1 =  93.7, r2 =  94.7, r3 = 154.7, r4 = 155.7,
 &end

# 58 ASP PHI:  (57 HIS C)-(58 ASP N)-(58 ASP CA)-(58 ASP C) -141.3 -81.3
 &rst     iat =   879,   881,   883,   891,
   r1 = -142.3, r2 = -141.3, r3 = -81.3, r4 = -80.3,
 &end

# 58 ASP PSI:  (58 ASP N)-(58 ASP CA)-(58 ASP C)-(59 CYS N) 100.2 160.2
 &rst     iat =   881,   883,   891,   893,
   r1 =  99.2, r2 = 100.2, r3 = 160.2, r4 = 161.2,
 &end

# 59 CYS PHI:  (58 ASP C)-(59 CYS N)-(59 CYS CA)-(59 CYS C) -150.9 -90.9
 &rst     iat =   891,   893,   895,   902,
   r1 = -151.9, r2 = -150.9, r3 = -90.9, r4 = -89.9,
 &end

# 59 CYS PSI:  (59 CYS N)-(59 CYS CA)-(59 CYS C)-(60 TYR N) 130.4 190.4
 &rst     iat =   893,   895,   902,   904,
   r1 = 129.4, r2 = 130.4, r3 = 190.4, r4 = 191.4,
 &end

# 60 TYR PHI:  (59 CYS C)-(60 TYR N)-(60 TYR CA)-(60 TYR C) -184.9 -124.9
 &rst     iat =   902,   904,   906,   923,
   r1 = -185.9, r2 = -184.9, r3 = -124.9, r4 = -123.9,
 &end

# 60 TYR PSI:  (60 TYR N)-(60 TYR CA)-(60 TYR C)-(61 ILE N) 129.4 189.4
 &rst     iat =   904,   906,   923,   925,
   r1 = 128.4, r2 = 129.4, r3 = 189.4, r4 = 190.4,
 &end

# 61 ILE PHI:  (60 TYR C)-(61 ILE N)-(61 ILE CA)-(61 ILE C) -148.7 -88.7
 &rst     iat =   923,   925,   927,   942,
   r1 = -149.7, r2 = -148.7, r3 = -88.7, r4 = -87.7,
 &end

# 61 ILE PSI:  (61 ILE N)-(61 ILE CA)-(61 ILE C)-(62 LYS N) 102.0 162.0
 &rst     iat =   925,   927,   942,   944,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end

# 62 LYS PHI:  (61 ILE C)-(62 LYS N)-(62 LYS CA)-(62 LYS C) -148.7 -58.7
 &rst     iat =   942,   944,   946,   964,
   r1 = -149.7, r2 = -148.7, r3 = -58.7, r4 = -57.7,
 &end

# 62 LYS PSI:  (62 LYS N)-(62 LYS CA)-(62 LYS C)-(63 ALA N)  94.4 154.4
 &rst     iat =   944,   946,   964,   966,
   r1 =  93.4, r2 =  94.4, r3 = 154.4, r4 = 155.4,
 &end

# 63 ALA PHI:  (62 LYS C)-(63 ALA N)-(63 ALA CA)-(63 ALA C) -141.4 -81.4
 &rst     iat =   964,   966,   968,   974,
   r1 = -142.4, r2 = -141.4, r3 = -81.4, r4 = -80.4,
 &end

# 63 ALA PSI:  (63 ALA N)-(63 ALA CA)-(63 ALA C)-(64 VAL N)  70.5 160.5
 &rst     iat =   966,   968,   974,   976,
   r1 =  69.5, r2 =  70.5, r3 = 160.5, r4 = 161.5,
 &end

# 64 VAL PHI:  (63 ALA C)-(64 VAL N)-(64 VAL CA)-(64 VAL C) -152.1 -62.1
 &rst     iat =   974,   976,   978,   990,
   r1 = -153.1, r2 = -152.1, r3 = -62.1, r4 = -61.1,
 &end

# 64 VAL PSI:  (64 VAL N)-(64 VAL CA)-(64 VAL C)-(65 SER N) 109.3 169.3
 &rst     iat =   976,   978,   990,   992,
   r1 = 108.3, r2 = 109.3, r3 = 169.3, r4 = 170.3,
 &end

# 76 THR PHI:  (75 HIS C)-(76 THR N)-(76 THR CA)-(76 THR C) -149.7 -89.7
 &rst     iat =  1164,  1166,  1168,  1178,
   r1 = -150.7, r2 = -149.7, r3 = -89.7, r4 = -88.7,
 &end

# 76 THR PSI:  (76 THR N)-(76 THR CA)-(76 THR C)-(77 LEU N) 100.0 160.0
 &rst     iat =  1166,  1168,  1178,  1180,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 77 LEU PHI:  (76 THR C)-(77 LEU N)-(77 LEU CA)-(77 LEU C) -139.1 -79.0
 &rst     iat =  1178,  1180,  1182,  1197,
   r1 = -140.1, r2 = -139.1, r3 = -79.0, r4 = -78.0,
 &end

# 77 LEU PSI:  (77 LEU N)-(77 LEU CA)-(77 LEU C)-(78 ILE N)  82.2 142.2
 &rst     iat =  1180,  1182,  1197,  1199,
   r1 =  81.2, r2 =  82.2, r3 = 142.2, r4 = 143.2,
 &end

# 78 ILE PHI:  (77 LEU C)-(78 ILE N)-(78 ILE CA)-(78 ILE C) -131.5 -71.5
 &rst     iat =  1197,  1199,  1201,  1216,
   r1 = -132.5, r2 = -131.5, r3 = -71.5, r4 = -70.5,
 &end

# 78 ILE PSI:  (78 ILE N)-(78 ILE CA)-(78 ILE C)-(79 VAL N)  91.3 151.3
 &rst     iat =  1199,  1201,  1216,  1218,
   r1 =  90.3, r2 =  91.3, r3 = 151.3, r4 = 152.3,
 &end

# 79 VAL PHI:  (78 ILE C)-(79 VAL N)-(79 VAL CA)-(79 VAL C) -156.9 -96.9
 &rst     iat =  1216,  1218,  1220,  1232,
   r1 = -157.9, r2 = -156.9, r3 = -96.9, r4 = -95.9,
 &end

# 79 VAL PSI:  (79 VAL N)-(79 VAL CA)-(79 VAL C)-(80 ASP N)  91.6 151.6
 &rst     iat =  1218,  1220,  1232,  1234,
   r1 =  90.6, r2 =  91.6, r3 = 151.6, r4 = 152.6,
 &end



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

Contact the webmaster for help, if required. Sunday, May 5, 2024 12:01:17 PM GMT (wattos1)