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root/owl/trunk/src/owl/core/structure/contactTypes.dat
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# Line 1 | Line 1
1 < # Contact type definitions:
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
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
# Line 24 | Line 24
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
27   > BB multi
28   TRP: CA N C O
29   CYS: CA N C O
# Line 87 | Line 66
66   GLU: OE2 OE1 CD CG CB
67   ASN: ND2 OD1 CB CG
68   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
69   > Ca single
70   TRP: CA
71   CYS: CA
# Line 150 | Line 108
108   GLU: CB
109   ASN: CB
110   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
111   > C single
112   TRP: C
113   CYS: C

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