NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
491717 2k1j cing 1-original 3 AMBER dihedral angle


# 10 PRO PSI:  (10 PRO N)-(10 PRO CA)-(10 PRO C)-(11 THR N) 113.0 149.0
 &rst     iat =   134,   144,   146,   148,
   r1 = 112.0, r2 = 113.0, r3 = 149.0, r4 = 150.0,
   rk2 =   2.0, rk3 =   2.0,    &end

# 14 LEU PHI:  (13 CYZ C)-(14 LEU N)-(14 LEU CA)-(14 LEU C) -77.6 -57.9
 &rst     iat =   192,   194,   196,   211,
   r1 = -78.6, r2 = -77.6, r3 = -57.9, r4 = -56.9,
 &end

# 14 LEU PSI:  (14 LEU N)-(14 LEU CA)-(14 LEU C)-(15 CYS N) -64.2  -8.2
 &rst     iat =   194,   196,   211,   213,
   r1 = -65.2, r2 = -64.2, r3 =  -8.2, r4 =  -7.2,
 &end

# 15 CYS PHI:  (14 LEU C)-(15 CYS N)-(15 CYS CA)-(15 CYS C) -102.7 -81.9
 &rst     iat =   211,   213,   215,   222,
   r1 = -103.7, r2 = -102.7, r3 = -81.9, r4 = -80.9,
 &end

# 15 CYS PSI:  (15 CYS N)-(15 CYS CA)-(15 CYS C)-(16 HID N) -14.5  10.4
 &rst     iat =   213,   215,   222,   224,
   r1 = -15.5, r2 = -14.5, r3 =  10.4, r4 =  11.4,
 &end

# 23 MET PHI:  (22 GLU C)-(23 MET N)-(23 MET CA)-(23 MET C) -136.5 -95.8
 &rst     iat =   326,   328,   330,   343,
   r1 = -137.5, r2 = -136.5, r3 = -95.8, r4 = -94.8,
 &end

# 23 MET PSI:  (23 MET N)-(23 MET CA)-(23 MET C)-(24 ILE N) 121.9 146.1
 &rst     iat =   328,   330,   343,   345,
   r1 = 120.9, r2 = 121.9, r3 = 146.1, r4 = 147.1,
 &end

# 24 ILE PHI:  (23 MET C)-(24 ILE N)-(24 ILE CA)-(24 ILE C) -155.0 -119.0
 &rst     iat =   343,   345,   347,   362,
   r1 = -156.0, r2 = -155.0, r3 = -119.0, r4 = -118.0,
 &end

# 24 ILE PSI:  (24 ILE N)-(24 ILE CA)-(24 ILE C)-(25 GLY N) 134.0 150.0
 &rst     iat =   345,   347,   362,   364,
   r1 = 133.0, r2 = 134.0, r3 = 150.0, r4 = 151.0,
 &end

# 25 GLY PHI:  (24 ILE C)-(25 GLY N)-(25 GLY CA)-(25 GLY C) -133.0 -75.0
 &rst     iat =   362,   364,   366,   369,
   r1 = -134.0, r2 = -133.0, r3 = -75.0, r4 = -74.0,
 &end

# 25 GLY PSI:  (25 GLY N)-(25 GLY CA)-(25 GLY C)-(26 CYZ N) 106.0 142.0
 &rst     iat =   364,   366,   369,   371,
   r1 = 105.0, r2 = 106.0, r3 = 142.0, r4 = 143.0,
 &end

# 28 ASN PSI:  (28 ASN N)-(28 ASN CA)-(28 ASN C)-(29 PRO N) 136.7 175.6
 &rst     iat =   394,   396,   406,   408,
   r1 = 135.7, r2 = 136.7, r3 = 175.6, r4 = 176.6,
 &end

# 35 TRP PSI:  (35 TRP N)-(35 TRP CA)-(35 TRP C)-(36 PHE N) 145.2 161.5
 &rst     iat =   490,   492,   512,   514,
   r1 = 144.2, r2 = 145.2, r3 = 161.5, r4 = 162.5,
 &end

# 36 PHE PHI:  (35 TRP C)-(36 PHE N)-(36 PHE CA)-(36 PHE C) -147.4 -120.0
 &rst     iat =   512,   514,   516,   532,
   r1 = -148.4, r2 = -147.4, r3 = -120.0, r4 = -119.0,
 &end

# 36 PHE PSI:  (36 PHE N)-(36 PHE CA)-(36 PHE C)-(37 HIE N) 132.9 164.9
 &rst     iat =   514,   516,   532,   534,
   r1 = 131.9, r2 = 132.9, r3 = 164.9, r4 = 165.9,
 &end

# 38 PHE PHI:  (37 HIE C)-(38 PHE N)-(38 PHE CA)-(38 PHE C) -67.8 -58.9
 &rst     iat =   549,   551,   553,   569,
   r1 = -68.8, r2 = -67.8, r3 = -58.9, r4 = -57.9,
 &end

# 38 PHE PSI:  (38 PHE N)-(38 PHE CA)-(38 PHE C)-(39 ALA N) -50.7 -36.8
 &rst     iat =   551,   553,   569,   571,
   r1 = -51.7, r2 = -50.7, r3 = -36.8, r4 = -35.8,
 &end

# 39 ALA PSI:  (39 ALA N)-(39 ALA CA)-(39 ALA C)-(40 CYS N) -44.4 -34.3
 &rst     iat =   571,   573,   579,   581,
   r1 = -45.4, r2 = -44.4, r3 = -34.3, r4 = -33.3,
 &end

# 40 CYS PHI:  (39 ALA C)-(40 CYS N)-(40 CYS CA)-(40 CYS C) -79.1 -56.5
 &rst     iat =   579,   581,   583,   590,
   r1 = -80.1, r2 = -79.1, r3 = -56.5, r4 = -55.5,
 &end

# 40 CYS PSI:  (40 CYS N)-(40 CYS CA)-(40 CYS C)-(41 VAL N) -42.0 -13.2
 &rst     iat =   581,   583,   590,   592,
   r1 = -43.0, r2 = -42.0, r3 = -13.2, r4 = -12.2,
 &end

# 43 LEU PHI:  (42 GLY C)-(43 LEU N)-(43 LEU CA)-(43 LEU C) -145.2 -82.7
 &rst     iat =   613,   615,   617,   632,
   r1 = -146.2, r2 = -145.2, r3 = -82.7, r4 = -81.7,
 &end

# 43 LEU PSI:  (43 LEU N)-(43 LEU CA)-(43 LEU C)-(44 THR N) 115.6 146.0
 &rst     iat =   615,   617,   632,   634,
   r1 = 114.6, r2 = 115.6, r3 = 146.0, r4 = 147.0,
 &end

# 45 THR PHI:  (44 THR C)-(45 THR N)-(45 THR CA)-(45 THR C) -131.1 -93.9
 &rst     iat =   646,   648,   650,   660,
   r1 = -132.1, r2 = -131.1, r3 = -93.9, r4 = -92.9,
 &end

# 45 THR PSI:  (45 THR N)-(45 THR CA)-(45 THR C)-(46 LYS N) 119.2 157.4
 &rst     iat =   648,   650,   660,   662,
   r1 = 118.2, r2 = 119.2, r3 = 157.4, r4 = 158.4,
 &end

# 50 LYS PSI:  (50 LYS N)-(50 LYS CA)-(50 LYS C)-(51 TRP N) 105.7 144.1
 &rst     iat =   729,   731,   749,   751,
   r1 = 104.7, r2 = 105.7, r3 = 144.1, r4 = 145.1,
 &end

# 52 PHE PSI:  (52 PHE N)-(52 PHE CA)-(52 PHE C)-(53 CYS N) 105.3 160.0
 &rst     iat =   775,   777,   793,   795,
   r1 = 104.3, r2 = 105.3, r3 = 160.0, r4 = 161.0,
 &end

# 54 PRO PSI:  (54 PRO N)-(54 PRO CA)-(54 PRO C)-(55 ARG N) -42.8 -17.7
 &rst     iat =   806,   816,   818,   820,
   r1 = -43.8, r2 = -42.8, r3 = -17.7, r4 = -16.7,
 &end

# 57 SER PSI:  (57 SER N)-(57 SER CA)-(57 SER C)-(58 GLN N) -45.0 -37.0
 &rst     iat =   855,   857,   864,   866,
   r1 = -46.0, r2 = -45.0, r3 = -37.0, r4 = -36.0,
 &end

# 58 GLN PHI:  (57 SER C)-(58 GLN N)-(58 GLN CA)-(58 GLN C) -70.0 -30.0
 &rst     iat =   864,   866,   868,   881,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 12 TYR CHI1:  (12 TYR N)-(12 TYR CA)-(12 TYR CB)-(12 TYR CG) -90.0 -30.0
 &rst     iat =   162,   164,   166,   169,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 16 HIS CHI1:  (16 HID N)-(16 HID CA)-(16 HID CB)-(16 HID CG) -90.0 -30.0
 &rst     iat =   224,   226,   228,   231,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 35 TRP CHI1:  (35 TRP N)-(35 TRP CA)-(35 TRP CB)-(35 TRP CG) -90.0 -30.0
 &rst     iat =   490,   492,   494,   497,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 36 PHE CHI1:  (36 PHE N)-(36 PHE CA)-(36 PHE CB)-(36 PHE CG) -90.0 -30.0
 &rst     iat =   514,   516,   518,   521,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 37 HIE CHI1:  (37 HIE N)-(37 HIE CA)-(37 HIE CB)-(37 HIE CG) -90.0 -30.0
 &rst     iat =   534,   536,   538,   541,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 38 PHE CHI1:  (38 PHE N)-(38 PHE CA)-(38 PHE CB)-(38 PHE CG) -95.0 -25.0
 &rst     iat =   551,   553,   555,   558,
   r1 = -96.0, r2 = -95.0, r3 = -25.0, r4 = -24.0,
 &end

# 51 TRP CHI1:  (51 TRP N)-(51 TRP CA)-(51 TRP CB)-(51 TRP CG) 150.0 210.0
 &rst     iat =   751,   753,   755,   758,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 52 PHE CHI1:  (52 PHE N)-(52 PHE CA)-(52 PHE CB)-(52 PHE CG) -90.0 -30.0
 &rst     iat =   775,   777,   779,   782,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 12 TYR PHI:  (11 THR C)-(12 TYR N)-(12 TYR CA)-(12 TYR C) -140.0 -100.0
 &rst     iat =   160,   162,   164,   181,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 16 HIS PHI:  (15 CYS C)-(16 HID N)-(16 HID CA)-(16 HID C)  53.0  93.0
 &rst     iat =   222,   224,   226,   239,
   r1 =  52.0, r2 =  53.0, r3 =  93.0, r4 =  94.0,
 &end

# 18 VAL PHI:  (17 GLN C)-(18 VAL N)-(18 VAL CA)-(18 VAL C) -98.0 -38.0
 &rst     iat =   256,   258,   260,   272,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 22 GLU PHI:  (21 GLY C)-(22 GLU N)-(22 GLU CA)-(22 GLU C) -110.0 -70.0
 &rst     iat =   311,   313,   315,   326,
   r1 = -111.0, r2 = -110.0, r3 = -70.0, r4 = -69.0,
 &end

# 26 CYZ PHI:  (25 GLY C)-(26 CYZ N)-(26 CYZ CA)-(26 CYZ C) -70.0 -30.0
 &rst     iat =   369,   371,   373,   380,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 28 ASN PHI:  (27 ASP C)-(28 ASN N)-(28 ASN CA)-(28 ASN C) -112.0 -72.0
 &rst     iat =   392,   394,   396,   406,
   r1 = -113.0, r2 = -112.0, r3 = -72.0, r4 = -71.0,
 &end

# 31 CYS PHI:  (30 ASP C)-(31 CYS N)-(31 CYS CA)-(31 CYS C) -65.0 -35.0
 &rst     iat =   432,   434,   436,   443,
   r1 = -66.0, r2 = -65.0, r3 = -35.0, r4 = -34.0,
 &end

# 37 HIE PHI:  (36 PHE C)-(37 HIE N)-(37 HIE CA)-(37 HIE C) -108.0 -68.0
 &rst     iat =   532,   534,   536,   549,
   r1 = -109.0, r2 = -108.0, r3 = -68.0, r4 = -67.0,
 &end

# 39 ALA PHI:  (38 PHE C)-(39 ALA N)-(39 ALA CA)-(39 ALA C) -81.0 -41.0
 &rst     iat =   569,   571,   573,   579,
   r1 = -82.0, r2 = -81.0, r3 = -41.0, r4 = -40.0,
 &end

# 45 THR PHI:  (44 THR C)-(45 THR N)-(45 THR CA)-(45 THR C) -150.0 -110.0
 &rst     iat =   646,   648,   650,   660,
   r1 = -151.0, r2 = -150.0, r3 = -110.0, r4 = -109.0,
 &end

# 49 GLY PHI:  (48 ARG C)-(49 GLY N)-(49 GLY CA)-(49 GLY C)   0.0 120.0
 &rst     iat =   720,   722,   724,   727,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 &end

# 50 LYS PHI:  (49 GLY C)-(50 LYS N)-(50 LYS CA)-(50 LYS C) -96.0 -56.0
 &rst     iat =   727,   729,   731,   749,
   r1 = -97.0, r2 = -96.0, r3 = -56.0, r4 = -55.0,
 &end

# 51 TRP PHI:  (50 LYS C)-(51 TRP N)-(51 TRP CA)-(51 TRP C) -150.0 -110.0
 &rst     iat =   749,   751,   753,   773,
   r1 = -151.0, r2 = -150.0, r3 = -110.0, r4 = -109.0,
 &end

# 52 PHE PHI:  (51 TRP C)-(52 PHE N)-(52 PHE CA)-(52 PHE C) -140.0 -100.0
 &rst     iat =   773,   775,   777,   793,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 53 CYS PHI:  (52 PHE C)-(53 CYS N)-(53 CYS CA)-(53 CYS C) -85.0 -45.0
 &rst     iat =   793,   795,   797,   804,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 56 CYS PHI:  (55 ARG C)-(56 CYS N)-(56 CYS CA)-(56 CYS C) -98.0 -58.0
 &rst     iat =   842,   844,   846,   853,
   r1 = -99.0, r2 = -98.0, r3 = -58.0, r4 = -57.0,
 &end

# 57 SER PHI:  (56 CYS C)-(57 SER N)-(57 SER CA)-(57 SER C) -200.0 -160.0
 &rst     iat =   853,   855,   857,   864,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 17 GLN PHI:  (16 HID C)-(17 GLN N)-(17 GLN CA)-(17 GLN C) -160.0 -10.0
 &rst     iat =   239,   241,   243,   256,
   r1 = -161.0, r2 = -160.0, r3 = -10.0, r4 =  -9.0,
 &end

# 30 ASP PHI:  (29 PRO C)-(30 ASP N)-(30 ASP CA)-(30 ASP C) -160.0 -130.0
 &rst     iat =   420,   422,   424,   432,
   r1 = -161.0, r2 = -160.0, r3 = -130.0, r4 = -129.0,
 &end



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