NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type subtype subsubtype
1525 1aou cing 1-original 3 XPLOR/CNS distance hydrogen bond simple 

!HYDROGEN BOND NOES

!bA

!Residue 151F (9) - Residue 175I (33) (100% unrestrained)
assign ( segid "fSH2" and resid 9 and name hn )( segid "fSH2" and resid 33 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 9 and name  n )( segid "fSH2" and resid 33 and name o ) 0.0 2.3 3.3

!AA loop

!aA

!Residue 160E (18) - Residue 156R (14)
assign ( segid "fSH2" and resid 18 and name hn )( segid "fSH2" and resid 14 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 18 and name  n )( segid "fSH2" and resid 14 and name o ) 0.0 2.3 3.3

!Residue 161R (19) - Residue 157K (15)
assign ( segid "fSH2" and resid 19 and name hn )( segid "fSH2" and resid 15 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 19 and name  n )( segid "fSH2" and resid 15 and name o ) 0.0 2.3 3.3

!Residue 162Q (20) - Residue 158D (16)
assign ( segid "fSH2" and resid 20 and name hn )( segid "fSH2" and resid 16 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 20 and name  n )( segid "fSH2" and resid 16 and name o ) 0.0 2.3 3.3

!Residue 163L (21) - Residue 159A (17)
assign ( segid "fSH2" and resid 21 and name hn )( segid "fSH2" and resid 17 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 21 and name  n )( segid "fSH2" and resid 17 and name o ) 0.0 2.3 3.3

!Residue 164L (22) - Residue 160E (18)
assign ( segid "fSH2" and resid 22 and name hn )( segid "fSH2" and resid 18 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 22 and name  n )( segid "fSH2" and resid 18 and name o ) 0.0 2.3 3.3

!Residue 165S (23) - Residue 161R (19)
assign ( segid "fSH2" and resid 23 and name hn )( segid "fSH2" and resid 19 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 23 and name  n )( segid "fSH2" and resid 19 and name o ) 0.0 2.3 3.3

!bB

!Residue 174L (32) - Residue 188S (46) (60% second round of hbonds & no other acceptor)
assign ( segid "fSH2" and resid 32 and name hn )( segid "fSH2" and resid 46 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 32 and name  n )( segid "fSH2" and resid 46 and name o ) 0.0 2.3 3.3

!Residue 176R (34) - Residue 186S (44) (70% unrestrained)
assign ( segid "fSH2" and resid 34 and name hn )( segid "fSH2" and resid 44 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 34 and name  n )( segid "fSH2" and resid 44 and name o ) 0.0 2.3 3.3

!Residue 177E (35) - Residue 152G (10) (70% unrestrained)
assign ( segid "fSH2" and resid 35 and name hn )( segid "fSH2" and resid 10 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 35 and name  n )( segid "fSH2" and resid 10 and name o ) 0.0 2.3 3.3

!Residue 178S (36) - Residue 184A (42) (100% unrestrained)
assign ( segid "fSH2" and resid 36 and name hn )( segid "fSH2" and resid 42 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 36 and name  n )( segid "fSH2" and resid 42 and name o ) 0.0 2.3 3.3

!BC loop

!bC

!Residue 187L (45) - Residue 203Y (61) (90% unrestrained)
assign ( segid "fSH2" and resid 45 and name hn )( segid "fSH2" and resid 61 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 45 and name  n )( segid "fSH2" and resid 61 and name o ) 0.0 2.3 3.3

!Residue 189I (47) - Residue 201K (59) (80% unrestrained)
assign ( segid "fSH2" and resid 47 and name hn )( segid "fSH2" and resid 59 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 47 and name  n )( segid "fSH2" and resid 59 and name o ) 0.0 2.3 3.3

!Residue 190R (48) - Residue 172T (30) (60% in third round of hbonds)
assign ( segid "fSH2" and resid 48 and name hn )( segid "fSH2" and resid 30 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 48 and name  n )( segid "fSH2" and resid 30 and name o ) 0.0 2.3 3.3

!Residue 191D (49) - Residue 199H (57) (90% unrestrained)
assign ( segid "fSH2" and resid 49 and name hn )( segid "fSH2" and resid 57 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 49 and name  n )( segid "fSH2" and resid 57 and name o ) 0.0 2.3 3.3

!CD loop

!Residue 193D (51) - Residue 197G (55) (70% unrestrained)
assign ( segid "fSH2" and resid 51 and name hn )( segid "fSH2" and resid 55 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 51 and name  n )( segid "fSH2" and resid 55 and name o ) 0.0 2.3 3.3

!bD

!Residue 201K (59) - Residue 189I (47) (100% unrestrained)
assign ( segid "fSH2" and resid 59 and name hn )( segid "fSH2" and resid 47 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 59 and name  n )( segid "fSH2" and resid 47 and name o ) 0.0 2.3 3.3

!Residue 203Y (61) - Residue 187L (45) (90% unrestrained)
assign ( segid "fSH2" and resid 61 and name hn )( segid "fSH2" and resid 45 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 61 and name  n )( segid "fSH2" and resid 45 and name o ) 0.0 2.3 3.3

!Residue 205I (63) - Residue Y185 (43) (100% unrestrained)
assign ( segid "fSH2" and resid 63 and name hn )( segid "fSH2" and resid 43 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 63 and name  n )( segid "fSH2" and resid 43 and name o ) 0.0 2.3 3.3

!Residue 206R (64) - Residue 214Y (72) (60% unrestrained)
assign ( segid "fSH2" and resid 64 and name hn )( segid "fSH2" and resid 72 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 64 and name  n )( segid "fSH2" and resid 72 and name o ) 0.0 2.3 3.3

!Residue 208L (66) - Residue 212G (70) (90% unrestrained)
assign ( segid "fSH2" and resid 66 and name hn )( segid "fSH2" and resid 70 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 66 and name  n )( segid "fSH2" and resid 70 and name o ) 0.0 2.3 3.3

!bE

!Residue 213Y (71) - Residue 221F (79) (100% unrestrained)
assign ( segid "fSH2" and resid 71 and name hn )( segid "fSH2" and resid 79 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 71 and name  n )( segid "fSH2" and resid 79 and name o ) 0.0 2.3 3.3

!Residue 214Y (72) - Residue 206R (64) (80% in second round of hbonds)
assign ( segid "fSH2" and resid 72 and name hn )( segid "fSH2" and resid 64 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 72 and name  n )( segid "fSH2" and resid 64 and name o ) 0.0 2.3 3.3

!bF

!Residue 219A (77) - Residue 216T (74) (100% unrestrained)
assign ( segid "fSH2" and resid 77 and name hn )( segid "fSH2" and resid 74 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 77 and name  n )( segid "fSH2" and resid 74 and name o ) 0.0 2.3 3.3

!Residue 221F (79) - Residue 213Y (71) (60% fourth round of hbonds)
assign ( segid "fSH2" and resid 79 and name hn )( segid "fSH2" and resid 71 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 79 and name  n )( segid "fSH2" and resid 71 and name o ) 0.0 2.3 3.3

!FB loop

!aB

!Residue 227L (85) - Residue 223T (81)
assign ( segid "fSH2" and resid 85 and name hn )( segid "fSH2" and resid 81 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 85 and name  n )( segid "fSH2" and resid 81 and name o ) 0.0 2.3 3.3

!Residue 228V (86) - Residue 224L (82)
assign ( segid "fSH2" and resid 86 and name hn )( segid "fSH2" and resid 82 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 86 and name  n )( segid "fSH2" and resid 82 and name o ) 0.0 2.3 3.3

!Residue 229E (87) - Residue 225Q (83)
assign ( segid "fSH2" and resid 87 and name hn )( segid "fSH2" and resid 83 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 87 and name  n )( segid "fSH2" and resid 83 and name o ) 0.0 2.3 3.3

!Residue 230H (88) - Residue 226Q (84)
assign ( segid "fSH2" and resid 88 and name hn )( segid "fSH2" and resid 84 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 88 and name  n )( segid "fSH2" and resid 84 and name o ) 0.0 2.3 3.3

!Residue 231E (89) - Residue 227 (85)
assign ( segid "fSH2" and resid 89 and name hn )( segid "fSH2" and resid 85 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 89 and name  n )( segid "fSH2" and resid 85 and name o ) 0.0 2.3 3.3

!Residue 232S (90) - Residue 228V (86)
assign ( segid "fSH2" and resid 90 and name hn )( segid "fSH2" and resid 86 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 90 and name  n )( segid "fSH2" and resid 86 and name o ) 0.0 2.3 3.3

!Residue 234R (92) - Residue 230H (88)
assign ( segid "fSH2" and resid 92 and name hn )( segid "fSH2" and resid 88 and name o ) 0.0 1.5 2.3
assign ( segid "fSH2" and resid 92 and name  n )( segid "fSH2" and resid 88 and name o ) 0.0 2.3 3.3

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

Contact the webmaster for help, if required. Thursday, April 25, 2024 12:12:07 PM GMT (wattos1)