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root/owl/trunk/src/owl/core/structure/contactTypes.dat
Revision: 1301
Committed: Fri Jan 14 16:24:16 2011 UTC (10 years, 6 months ago) by hstehr
File size: 2146 byte(s)
Log Message:
overwriting default contactTypes.dat with the one needed for CMView release versions (only contains standard contact types). The old version with all esoteric contact types is renamed to contactTypes.all.dat
Line File contents
1 # This is a reduced contact definition file for the realease version of CMView
2 # Contact types definitions:
3 # contact types names in lines starting with '>', then the contact type name and last the type: either "multi" or "single"
4 # then list of space separated atom names after each three letter aminoacid code
5 # lines starting with # are comments
6 > ALL multi
7 TRP: CE2 CA C O CB CG CD1 CD2 CH2 CZ3 CZ2 CE3 NE1 N
8 CYS: SG CB O CA C N
9 GLN: CA CG N NE2 OE1 CD C O CB
10 ALA: CA C N CB O
11 VAL: CG1 CB O C CA N CG2
12 LEU: N CA C O CB CG CD2 CD1
13 ASP: N CB OD2 CG CA C O OD1
14 SER: C N CA O CB OG
15 PRO: O C CB CG CA CD N
16 THR: CA N C CG2 OG1 CB O
17 PHE: O CE2 CE1 CG C N CA CB CD2 CD1 CZ
18 ARG: NH2 CZ NE CD CG C CA N NH1 CB O
19 LYS: C CA N O CB CG CD CE NZ
20 MET: CA O C CB CE N CG SD
21 HIS: CE1 CD2 ND1 CG CB O C CA N NE2
22 GLY: N CA C O
23 ILE: CG2 CD1 O N CA C CB CG1
24 GLU: C N CA OE2 OE1 CD CG CB O
25 ASN: ND2 OD1 CB O CG C CA N
26 TYR: CD2 CD1 OH CZ CE2 N CA C O CB CG CE1
27 > BB multi
28 TRP: CA N C O
29 CYS: CA N C O
30 GLN: CA N C O
31 ALA: CA N C O
32 VAL: CA N C O
33 LEU: CA N C O
34 ASP: CA N C O
35 SER: CA N C O
36 PRO: CA N C O
37 THR: CA N C O
38 PHE: CA N C O
39 ARG: CA N C O
40 LYS: CA N C O
41 MET: CA N C O
42 HIS: CA N C O
43 GLY: CA N C O
44 ILE: CA N C O
45 GLU: CA N C O
46 ASN: CA N C O
47 TYR: CA N C O
48 > SC multi
49 TRP: CE2 CB CG CD1 CD2 CH2 CZ3 CZ2 CE3 NE1
50 CYS: SG CB
51 GLN: CG NE2 OE1 CD CB
52 ALA: CB
53 VAL: CG1 CB CG2
54 LEU: CB CG CD2 CD1
55 ASP: CB OD2 CG OD1
56 SER: CB OG
57 PRO: CB CG CD
58 THR: CG2 OG1 CB
59 PHE: CE2 CE1 CG CB CD2 CD1 CZ
60 ARG: NH2 CZ NE CD CG NH1 CB
61 LYS: CB CG CD CE NZ
62 MET: CB CE CG SD
63 HIS: CE1 CD2 ND1 CG CB NE2
64 GLY:
65 ILE: CG2 CD1 CB CG1
66 GLU: OE2 OE1 CD CG CB
67 ASN: ND2 OD1 CB CG
68 TYR: CD2 CD1 OH CZ CE2 CB CG CE1
69 > Ca single
70 TRP: CA
71 CYS: CA
72 GLN: CA
73 ALA: CA
74 VAL: CA
75 LEU: CA
76 ASP: CA
77 SER: CA
78 PRO: CA
79 THR: CA
80 PHE: CA
81 ARG: CA
82 LYS: CA
83 MET: CA
84 HIS: CA
85 GLY: CA
86 ILE: CA
87 GLU: CA
88 ASN: CA
89 TYR: CA
90 > Cb single
91 TRP: CB
92 CYS: CB
93 GLN: CB
94 ALA: CB
95 VAL: CB
96 LEU: CB
97 ASP: CB
98 SER: CB
99 PRO: CB
100 THR: CB
101 PHE: CB
102 ARG: CB
103 LYS: CB
104 MET: CB
105 HIS: CB
106 GLY: CA
107 ILE: CB
108 GLU: CB
109 ASN: CB
110 TYR: CB
111 > C single
112 TRP: C
113 CYS: C
114 GLN: C
115 ALA: C
116 VAL: C
117 LEU: C
118 ASP: C
119 SER: C
120 PRO: C
121 THR: C
122 PHE: C
123 ARG: C
124 LYS: C
125 MET: C
126 HIS: C
127 GLY: C
128 ILE: C
129 GLU: C
130 ASN: C
131 TYR: C