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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 User Rev File contents
1 hstehr 1367 # 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