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
629478 6cjd 30417 cing 1-original 3 DYANA/DIANA dihedral angle


# Restraints file 2: orgc.aco
# Residue  Angle   Allowed range

# Wishart and Nip for helices:
#          PHI        -100.0   -20.0        -60 +- 40
#          PSI         -80.0     0.0        -40 +- 40


#-------------------------------------------------------------------------
# Helix 1
#-------------------------------------------------------------------------
46 VAL   PHI    -80.0   -40.0
47 ASP-  PHI    -80.0   -40.0
48 LEU   PHI    -80.0   -40.0
49 TYR   PHI    -80.0   -40.0
50 ASP-  PHI    -80.0   -40.0
51 ALA   PHI    -80.0   -40.0
52 PHE   PHI    -80.0   -40.0
53 TYR   PHI    -80.0   -40.0
54 GLN   PHI    -80.0   -40.0
55 ARG+  PHI    -80.0   -40.0
56 LEU   PHI    -80.0   -40.0


46 VAL                    PSI  -60.0  -20.0
47 ASP-                   PSI  -60.0  -20.0
48 LEU                    PSI  -60.0  -20.0
49 TYR                    PSI  -60.0  -20.0
50 ASP-                   PSI  -60.0  -20.0
51 ALA                    PSI  -60.0  -20.0
52 PHE                    PSI  -60.0  -20.0
53 TYR                    PSI  -60.0  -20.0
54 GLN                    PSI  -60.0  -20.0
55 ARG+                   PSI  -60.0  -20.0
56 LEU                    PSI  -60.0  -20.0



#-------------------------------------------------------------------------
# Helix 2
#-------------------------------------------------------------------------

66 GLU-  PHI    -80.0   -40.0
67 THR   PHI    -80.0   -40.0
68 LEU   PHI    -80.0   -40.0
69 LYS+  PHI    -80.0   -40.0
70 ASP-  PHI    -80.0   -40.0
71 SER   PHI    -80.0   -40.0
72 ILE   PHI    -80.0   -40.0
73 TYR   PHI    -80.0   -40.0
74 GLN   PHI    -80.0   -40.0
75 GLU-  PHI    -80.0   -40.0
76 MET   PHI    -80.0   -40.0
77 ASN   PHI    -80.0   -40.0

66 GLU-                   PSI  -60.0  -20.0
67 THR                    PSI  -60.0  -20.0
68 LEU                    PSI  -60.0  -20.0
69 LYS+                   PSI  -60.0  -20.0
70 ASP-                   PSI  -60.0  -20.0
71 SER                    PSI  -60.0  -20.0
72 ILE                    PSI  -60.0  -20.0
73 TYR                    PSI  -60.0  -20.0
74 GLN                    PSI  -60.0  -20.0
75 GLU-                   PSI  -60.0  -20.0
76 MET                    PSI  -60.0  -20.0
77 ASN                    PSI  -60.0  -20.0

#-------------------------------------------------------------------------
# Helix 3
#-------------------------------------------------------------------------


93 GLU-   PHI    -80.0   -40.0
94 GLN    PHI    -80.0   -40.0
95 GLN    PHI    -80.0   -40.0
96 THR    PHI    -80.0   -40.0
97 ALA    PHI    -80.0   -40.0
98 MET    PHI    -80.0   -40.0
99 LEU    PHI    -80.0   -40.0
100 GLN   PHI    -80.0   -40.0
101 ASN   PHI    -80.0   -40.0
102 MET   PHI    -80.0   -40.0
103 LEU   PHI    -80.0   -40.0
104 ALA   PHI    -80.0   -40.0
105 LYS+  PHI    -80.0   -40.0


93 GLU-                   PSI  -60.0  -20.0
94 GLN                    PSI  -60.0  -20.0
95 GLN                    PSI  -60.0  -20.0
96 THR                    PSI  -60.0  -20.0
97 ALA                    PSI  -60.0  -20.0
98 MET                    PSI  -60.0  -20.0
99 LEU                    PSI  -60.0  -20.0
100 GLN                   PSI  -60.0  -20.0
101 ASN                   PSI  -60.0  -20.0
102 MET                   PSI  -60.0  -20.0
103 LEU                   PSI  -60.0  -20.0
104 ALA                   PSI  -60.0  -20.0
105 LYS+                  PSI  -60.0  -20.0

#-------------------------------------------------------------------------
# Helix 4
#-------------------------------------------------------------------------

111 HIS   PHI    -80.0   -40.0
112 LEU   PHI    -80.0   -40.0
113 TYR   PHI    -80.0   -40.0
114 GLU-  PHI    -80.0   -40.0
115 ALA   PHI    -80.0   -40.0
116 LEU   PHI    -80.0   -40.0
117 ASN   PHI    -80.0   -40.0
119 VAL   PHI    -80.0   -40.0
120 LEU   PHI    -80.0   -40.0
121 VAL   PHI    -80.0   -40.0
123 SER   PHI    -80.0   -40.0
124 MET   PHI    -80.0   -40.0
125 ASN   PHI    -80.0   -40.0
126 ALA   PHI    -80.0   -40.0
127 GLN   PHI    -80.0   -40.0
128 SER   PHI    -80.0   -40.0


111 HIS                    PSI  -60.0  -20.0
112 LEU                    PSI  -60.0  -20.0
113 TYR                    PSI  -60.0  -20.0
114 GLU-                   PSI  -60.0  -20.0
115 ALA                    PSI  -60.0  -20.0
116 LEU                    PSI  -60.0  -20.0
117 ASN                    PSI  -60.0  -20.0
119 VAL                    PSI  -60.0  -20.0
120 LEU                    PSI  -60.0  -20.0
121 VAL                    PSI  -60.0  -20.0
123 SER                    PSI  -60.0  -20.0
124 MET                    PSI  -60.0  -20.0
125 ASN                    PSI  -60.0  -20.0
126 ALA                    PSI  -60.0  -20.0
127 GLN                    PSI  -60.0  -20.0
128 SER                    PSI  -60.0  -20.0




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