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root/owl/trunk/src/owl/core/structure/contactTypes.all.dat
Revision: 1367
Committed: Mon Mar 28 17:49:23 2011 UTC (8 years, 6 months ago) by hstehr
File size: 3953 byte(s)
Log Message:
Adding package 'mutanom' to OWL (previously in seperate repository 'structuralimpact')
Line File contents
1 # Contact type 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 # this file is read by owl.core.structure.AAinfo and required for generating protein structure graphs
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 > ALL_H multi
28 ALA: C CA CB H HA HB1 HB2 HB3 N O
29 ARG: C CA CB CD CG CZ H HA HB2 HB3 HD2 HD3 HE HG2 HG3 HH11 HH12 HH21 HH22 N NE NH1 NH2 O
30 ASN: C CA CB CG H HA HB2 HB3 HD21 HD22 N ND2 O OD1
31 ASP: C CA CB CG H HA HB2 HB3 N O OD1 OD2
32 CYS: C CA CB H HA HB2 HB3 N O SG
33 GLN: C CA CB CD CG H HA HB2 HB3 HE21 HE22 HG2 HG3 N NE2 O OE1
34 GLU: C CA CB CD CG H HA HB2 HB3 HG2 HG3 N O OE1 OE2
35 GLY: C CA H HA2 HA3 N O
36 HIS: C CA CB CD2 CE1 CG H HA HB2 HB3 HD1 HD2 HE1 N ND1 NE2 O
37 ILE: C CA CB CD1 CG1 CG2 H HA HB HD11 HD12 HD13 HG12 HG13 HG21 HG22 HG23 N O
38 LEU: C CA CB CD1 CD2 CG H HA HB2 HB3 HD11 HD12 HD13 HD21 HD22 HD23 HG N O
39 LYS: C CA CB CD CE CG H HA HB2 HB3 HD2 HD3 HE2 HE3 HG2 HG3 HZ1 HZ2 HZ3 N NZ O
40 MET: C CA CB CE CG H HA HB2 HB3 HE1 HE2 HE3 HG2 HG3 N O SD
41 PHE: C CA CB CD1 CD2 CE1 CE2 CG CZ H HA HB2 HB3 HD1 HD2 HE1 HE2 HZ N O
42 PRO: C CA CB CD CG HA HB2 HB3 HD2 HD3 HG2 HG3 N O
43 SER: C CA CB H H1 H2 H3 HA HB2 HB3 HG N O OG
44 THR: C CA CB CG2 H HA HB HG1 HG21 HG22 HG23 N O OG1
45 TRP: C CA CB CD1 CD2 CE2 CE3 CG CH2 CZ2 CZ3 H HA HB2 HB3 HD1 HE1 HE3 HH2 HZ2 HZ3 N NE1 O
46 TYR: C CA CB CD1 CD2 CE1 CE2 CG CZ H HA HB2 HB3 HD1 HD2 HE1 HE2 HH N O OH
47 VAL: C CA CB CG1 CG2 H HA HB HG11 HG12 HG13 HG21 HG22 HG23 N O
48 > BB multi
49 TRP: CA N C O
50 CYS: CA N C O
51 GLN: CA N C O
52 ALA: CA N C O
53 VAL: CA N C O
54 LEU: CA N C O
55 ASP: CA N C O
56 SER: CA N C O
57 PRO: CA N C O
58 THR: CA N C O
59 PHE: CA N C O
60 ARG: CA N C O
61 LYS: CA N C O
62 MET: CA N C O
63 HIS: CA N C O
64 GLY: CA N C O
65 ILE: CA N C O
66 GLU: CA N C O
67 ASN: CA N C O
68 TYR: CA N C O
69 > SC multi
70 TRP: CE2 CB CG CD1 CD2 CH2 CZ3 CZ2 CE3 NE1
71 CYS: SG CB
72 GLN: CG NE2 OE1 CD CB
73 ALA: CB
74 VAL: CG1 CB CG2
75 LEU: CB CG CD2 CD1
76 ASP: CB OD2 CG OD1
77 SER: CB OG
78 PRO: CB CG CD
79 THR: CG2 OG1 CB
80 PHE: CE2 CE1 CG CB CD2 CD1 CZ
81 ARG: NH2 CZ NE CD CG NH1 CB
82 LYS: CB CG CD CE NZ
83 MET: CB CE CG SD
84 HIS: CE1 CD2 ND1 CG CB NE2
85 GLY:
86 ILE: CG2 CD1 CB CG1
87 GLU: OE2 OE1 CD CG CB
88 ASN: ND2 OD1 CB CG
89 TYR: CD2 CD1 OH CZ CE2 CB CG CE1
90 > SC_CAGLY multi
91 TRP: CE2 CB CG CD1 CD2 CH2 CZ3 CZ2 CE3 NE1
92 CYS: SG CB
93 GLN: CG NE2 OE1 CD CB
94 ALA: CB
95 VAL: CG1 CB CG2
96 LEU: CB CG CD2 CD1
97 ASP: CB OD2 CG OD1
98 SER: CB OG
99 PRO: CB CG CD
100 THR: CG2 OG1 CB
101 PHE: CE2 CE1 CG CB CD2 CD1 CZ
102 ARG: NH2 CZ NE CD CG NH1 CB
103 LYS: CB CG CD CE NZ
104 MET: CB CE CG SD
105 HIS: CE1 CD2 ND1 CG CB NE2
106 GLY: CA
107 ILE: CG2 CD1 CB CG1
108 GLU: OE2 OE1 CD CG CB
109 ASN: ND2 OD1 CB CG
110 TYR: CD2 CD1 OH CZ CE2 CB CG CE1
111 > Ca single
112 TRP: CA
113 CYS: CA
114 GLN: CA
115 ALA: CA
116 VAL: CA
117 LEU: CA
118 ASP: CA
119 SER: CA
120 PRO: CA
121 THR: CA
122 PHE: CA
123 ARG: CA
124 LYS: CA
125 MET: CA
126 HIS: CA
127 GLY: CA
128 ILE: CA
129 GLU: CA
130 ASN: CA
131 TYR: CA
132 > Cb single
133 TRP: CB
134 CYS: CB
135 GLN: CB
136 ALA: CB
137 VAL: CB
138 LEU: CB
139 ASP: CB
140 SER: CB
141 PRO: CB
142 THR: CB
143 PHE: CB
144 ARG: CB
145 LYS: CB
146 MET: CB
147 HIS: CB
148 GLY: CA
149 ILE: CB
150 GLU: CB
151 ASN: CB
152 TYR: CB
153 > Cg single
154 TRP: CD2
155 CYS: SG
156 GLN: CG
157 ALA:
158 VAL: CG1
159 LEU: CG
160 ASP: CG
161 SER: OG
162 PRO: CG
163 THR: OG1
164 PHE: CG
165 ARG: NE
166 LYS: CD
167 MET: CG
168 HIS: CG
169 GLY:
170 ILE: CG1
171 ASN: CG
172 GLU: CG
173 TYR: CG
174 > C single
175 TRP: C
176 CYS: C
177 GLN: C
178 ALA: C
179 VAL: C
180 LEU: C
181 ASP: C
182 SER: C
183 PRO: C
184 THR: C
185 PHE: C
186 ARG: C
187 LYS: C
188 MET: C
189 HIS: C
190 GLY: C
191 ILE: C
192 GLU: C
193 ASN: C
194 TYR: C