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root/owl/trunk/proteinstructure/contactTypes.dat
Revision: 492
Committed: Wed Jan 2 13:18:57 2008 UTC (11 years, 10 months ago) by duarte
File size: 2657 byte(s)
Log Message:
Copied the aglappe-jung branch into trunk.

Line File contents
1 # Contact types definitions:
2 # contact types names in lines starting with '>', then the contact type name and last the type: either "multi" or "single"
3 # then list of space separated atom names after each three letter aminoacid code
4 # lines starting with # are comments
5 > ALL multi
6 TRP: CE2 CA C O CB CG CD1 CD2 CH2 CZ3 CZ2 CE3 NE1 N
7 CYS: SG CB O CA C N
8 GLN: CA CG N NE2 OE1 CD C O CB
9 ALA: CA C N CB O
10 VAL: CG1 CB O C CA N CG2
11 LEU: N CA C O CB CG CD2 CD1
12 ASP: N CB OD2 CG CA C O OD1
13 SER: C N CA O CB OG
14 PRO: O C CB CG CA CD N
15 THR: CA N C CG2 OG1 CB O
16 PHE: O CE2 CE1 CG C N CA CB CD2 CD1 CZ
17 ARG: NH2 CZ NE CD CG C CA N NH1 CB O
18 LYS: C CA N O CB CG CD CE NZ
19 MET: CA O C CB CE N CG SD
20 HIS: CE1 CD2 ND1 CG CB O C CA N NE2
21 GLY: N CA C O
22 ILE: CG2 CD1 O N CA C CB CG1
23 GLU: C N CA OE2 OE1 CD CG CB O
24 ASN: ND2 OD1 CB O CG C CA N
25 TYR: CD2 CD1 OH CZ CE2 N CA C O CB CG CE1
26 > BB multi
27 TRP: CA N C O
28 CYS: CA N C O
29 GLN: CA N C O
30 ALA: CA N C O
31 VAL: CA N C O
32 LEU: CA N C O
33 ASP: CA N C O
34 SER: CA N C O
35 PRO: CA N C O
36 THR: CA N C O
37 PHE: CA N C O
38 ARG: CA N C O
39 LYS: CA N C O
40 MET: CA N C O
41 HIS: CA N C O
42 GLY: CA N C O
43 ILE: CA N C O
44 GLU: CA N C O
45 ASN: CA N C O
46 TYR: CA N C O
47 > SC multi
48 TRP: CE2 CB CG CD1 CD2 CH2 CZ3 CZ2 CE3 NE1
49 CYS: SG CB
50 GLN: CG NE2 OE1 CD CB
51 ALA: CB
52 VAL: CG1 CB CG2
53 LEU: CB CG CD2 CD1
54 ASP: CB OD2 CG OD1
55 SER: CB OG
56 PRO: CB CG CD
57 THR: CG2 OG1 CB
58 PHE: CE2 CE1 CG CB CD2 CD1 CZ
59 ARG: NH2 CZ NE CD CG NH1 CB
60 LYS: CB CG CD CE NZ
61 MET: CB CE CG SD
62 HIS: CE1 CD2 ND1 CG CB NE2
63 GLY:
64 ILE: CG2 CD1 CB CG1
65 GLU: OE2 OE1 CD CG CB
66 ASN: ND2 OD1 CB CG
67 TYR: CD2 CD1 OH CZ CE2 CB CG CE1
68 > SC_CAGLY multi
69 TRP: CE2 CB CG CD1 CD2 CH2 CZ3 CZ2 CE3 NE1
70 CYS: SG CB
71 GLN: CG NE2 OE1 CD CB
72 ALA: CB
73 VAL: CG1 CB CG2
74 LEU: CB CG CD2 CD1
75 ASP: CB OD2 CG OD1
76 SER: CB OG
77 PRO: CB CG CD
78 THR: CG2 OG1 CB
79 PHE: CE2 CE1 CG CB CD2 CD1 CZ
80 ARG: NH2 CZ NE CD CG NH1 CB
81 LYS: CB CG CD CE NZ
82 MET: CB CE CG SD
83 HIS: CE1 CD2 ND1 CG CB NE2
84 GLY: CA
85 ILE: CG2 CD1 CB CG1
86 GLU: OE2 OE1 CD CG CB
87 ASN: ND2 OD1 CB CG
88 TYR: CD2 CD1 OH CZ CE2 CB CG CE1
89 > Ca single
90 TRP: CA
91 CYS: CA
92 GLN: CA
93 ALA: CA
94 VAL: CA
95 LEU: CA
96 ASP: CA
97 SER: CA
98 PRO: CA
99 THR: CA
100 PHE: CA
101 ARG: CA
102 LYS: CA
103 MET: CA
104 HIS: CA
105 GLY: CA
106 ILE: CA
107 GLU: CA
108 ASN: CA
109 TYR: CA
110 > Cb single
111 TRP: CB
112 CYS: CB
113 GLN: CB
114 ALA: CB
115 VAL: CB
116 LEU: CB
117 ASP: CB
118 SER: CB
119 PRO: CB
120 THR: CB
121 PHE: CB
122 ARG: CB
123 LYS: CB
124 MET: CB
125 HIS: CB
126 GLY: CA
127 ILE: CB
128 GLU: CB
129 ASN: CB
130 TYR: CB
131 > Cg single
132 TRP: CD2
133 CYS: SG
134 GLN: CG
135 ALA:
136 VAL: CG1
137 LEU: CG
138 ASP: CG
139 SER: OG
140 PRO: CG
141 THR: OG1
142 PHE: CG
143 ARG: NE
144 LYS: CD
145 MET: CG
146 HIS: CG
147 GLY:
148 ILE: CG1
149 ASN: CG
150 GLU: CG
151 TYR: CG
152 > C single
153 TRP: C
154 CYS: C
155 GLN: C
156 ALA: C
157 VAL: C
158 LEU: C
159 ASP: C
160 SER: C
161 PRO: C
162 THR: C
163 PHE: C
164 ARG: C
165 LYS: C
166 MET: C
167 HIS: C
168 GLY: C
169 ILE: C
170 GLU: C
171 ASN: C
172 TYR: C