File: iupac2pdb.map

package info (click to toggle)
ball 1.4.3~beta1-3
  • links: PTS, VCS
  • area: main
  • in suites: stretch
  • size: 318,984 kB
  • sloc: cpp: 346,579; ansic: 4,097; python: 2,664; yacc: 1,778; lex: 1,099; xml: 964; sh: 688; sql: 316; awk: 118; makefile: 108
file content (348 lines) | stat: -rw-r--r-- 16,260 bytes parent folder | download | duplicates (6)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
ALA                H                 H        
ALA                NH                 H        
ALA                HA                HA        
ALA                HB1              1HB        
ALA                HB2              2HB        
ALA                HB3              3HB        
ALA                C                 C        
ALA                CA                CA        
ALA                CB                CB        
ALA                N                 N        
ALA                O                 O        
ARG                H                 H        
ARG                NH                 H        
ARG                HA                HA        
ARG                HB2       2HB        
ARG                HB3       3HB        
ARG                HG2       2HG        
ARG                HG3       3HG        
ARG                HD2       2HD        
ARG                HD3       3HD        
ARG                HE                HE        
ARG                HH11          1HH1        
ARG                HH12          2HH1        
ARG                HH21          1HH2        
ARG                HH22          2HH2        
ARG                C                 C        
ARG                CA                CA        
ARG                CB                CB        
ARG                CG                CG        
ARG                CD                CD        
ARG                CZ                CZ        
ARG                N                 N        
ARG                NE                NE        
ARG                NH1            NH1        
ARG                NH2            NH2        
ARG                O                 O        
ASP                H                 H        
ASP                NH                 H        
ASP                HA                HA        
ASP                HB2       2HB        
ASP                HB3       3HB        
ASP                HD2               HD2         
ASP                C                 C        
ASP                CA                CA        
ASP                CB                CB        
ASP                CG                CG        
ASP                N                 N        
ASP                O                 O        
ASP                OD1               OD1        
ASP                OD2               OD2        
ASN                H                 H        
ASN                NH                 H        
ASN                HA                HA        
ASN                HB2       2HB        
ASN                HB3       3HB        
ASN                HD21          1HD2        
ASN                HD22          2HD2        
ASN                C                 C        
ASN                CA                CA        
ASN                CB                CB        
ASN                CG                CG        
ASN                N                 N        
ASN                ND2               ND2        
ASN                O                 O        
ASN                OD1               OD1        
CYS                H                 H        
CYS                NH                 H        
CYS                HA                HA        
CYS                HB2       2HB        
CYS                HB3       3HB        
CYS                HG                HG        
CYS                C                 C        
CYS                CA                CA        
CYS                CB                CB        
CYS                N                 N        
CYS                O                 O        
CYS                SG                SG        
GLU                H                 H        
GLU                NH                 H        
GLU                HA                HA        
GLU                HB2       2HB        
GLU                HB3       3HB        
GLU                HG2       2HG        
GLU                HG3       3HG        
GLU                HE2               HE2         
GLU                C                 C        
GLU                CA                CA        
GLU                CB                CB        
GLU                CG                CG        
GLU                CD                CD        
GLU                N                 N        
GLU                O                 O        
GLU                OE1               OE1        
GLU                OE2               OE2        
GLN                H                 H        
GLN                NH                 H        
GLN                HA                HA        
GLN                HB2       2HB        
GLN                HB3       3HB        
GLN                HG2       2HG        
GLN                HG3       3HG        
GLN                HE21          1HE2        
GLN                HE22          2HE2        
GLN                C                 C        
GLN                CA                CA        
GLN                CB                CB        
GLN                CG                CG        
GLN                CD                CD        
GLN                N                 N        
GLN                NE2               NE2        
GLN                O                 O        
GLN                OE1               OE1        
GLY                H                 H        
GLY                NH                 H        
GLY                HA2       2HA        
GLY                HA3       3HA        
GLY                C                 C        
GLY                CA                CA        
GLY                N                 N        
GLY                O                 O        
HIS                H                 H        
HIS                NH                 H        
HIS                HA                HA        
HIS                HB2       2HB        
HIS                HB3       3HB        
HIS                HD1               HD1        
HIS                HD2               HD2        
HIS                HE1               HE1        
HIS                HE2               HE2
HIS                C                 C        
HIS                CA                CA        
HIS                CB                CB        
HIS                CG                CG        
HIS                CD2               CD2        
HIS                CE1               CE1        
HIS                N                 N        
HIS                ND1               ND1        
HIS                NE2               NE2        
HIS                O                 O        
ILE                H                 H        
ILE                NH                 H        
ILE                HA                HA        
ILE                HB                HB        
ILE                HG12      2HG1        
ILE                HG13      3HG1        
ILE                HG21             1HG2        
ILE                HG22             2HG2        
ILE                HG23             3HG2        
ILE                HD11             1HD1        
ILE                HD12             2HD1        
ILE                HD13             3HD1        
ILE                C                 C        
ILE                CA                CA        
ILE                CB                CB        
ILE                CG1               CG1        
ILE                CG2               CG2        
ILE                CD1               CD1        
ILE                N                 N        
ILE                O                 O        
LEU                H                 H        
LEU                NH                 H        
LEU                HA                HA        
LEU                HB2       2HB        
LEU                HB3       3HB        
LEU                HG                HG        
LEU                HD11             1HD1        
LEU                HD12             2HD1        
LEU                HD13             3HD1        
LEU                HD21             1HD2        
LEU                HD22             2HD2        
LEU                HD23             3HD2        
LEU                C                 C        
LEU                CA                CA        
LEU                CB                CB        
LEU                CG                CG        
LEU                CD1        CD1        
LEU                CD2        CD2        
LEU                N                 N        
LEU                O                 O        
LYS                H                 H        
LYS                NH                 H        
LYS                HA                HA        
LYS                HB2       2HB        
LYS                HB3       3HB        
LYS                HG2       2HG        
LYS                HG3       3HG        
LYS                HD2       2HD        
LYS                HD3       3HD        
LYS                HE2       2HE        
LYS                HE3       3HE        
LYS                HZ1              1HZ        
LYS                HZ2              2HZ        
LYS                HZ3              3HZ        
LYS                C                 C        
LYS                CA                CA        
LYS                CB                CB        
LYS                CG                CG        
LYS                CD                CD        
LYS                CE                CE        
LYS                N                 N        
LYS                NZ                NZ        
LYS                O                 O        
MET                H                 H        
MET                NH                 H        
MET                HA                HA        
MET                HB2       2HB        
MET                HB3       3HB        
MET                HG2       2HG        
MET                HG3       3HG        
MET                HE1              1HE        
MET                HE2              2HE        
MET                HE3              3HE        
MET                C                 C        
MET                CA                CA        
MET                CB                CB        
MET                CG                CG        
MET                CE                CE        
MET                N                 N        
MET                O                 O        
MET                SD                SD        
PHE                H                 H        
PHE                NH                 H        
PHE                HA                HA        
PHE                HB2       1HB        
PHE                HB3       2HB        
PHE                HD1               HD1        
PHE                HD2               HD2        
PHE                HE1               HE1        
PHE                HE2               HE2        
PHE                HZ                HZ        
PHE                C                 C        
PHE                CA                CA        
PHE                CB                CB        
PHE                CG                CG        
PHE                CD1               CD1        
PHE                CD2               CD2        
PHE                CE1               CE1        
PHE                CE2               CE2        
PHE                CZ                CZ        
PHE                N                 N        
PHE                O                 O        
PRO                H2         H2        
PRO                H3         H3        
PRO                HA                HA        
PRO                HB2       2HB        
PRO                HB3       3HB        
PRO                HG2       2HG        
PRO                HG3       3HG        
PRO                HD2       2HD        
PRO                HD3       3HD        
PRO                C                 C        
PRO                CA                CA        
PRO                CB                CB        
PRO                CG                CG        
PRO                CD                CD        
PRO                N                 N        
PRO                O                 O        
SER                H                 H        
SER                NH                 H        
SER                HA                HA        
SER                HB2       2HB        
SER                HB3       3HB        
SER                HG                HG        
SER                C                 C        
SER                CA                CA        
SER                CB                CB        
SER                N                 N        
SER                O                 O        
SER                OG                OG        
THR                H                 H        
THR                NH                 H        
THR                HA                HA        
THR                HB                HB        
THR                HG1               HG1        
THR                HG21             1HG2        
THR                HG22             2HG2        
THR                HG23             3HG2        
THR                C                 C        
THR                CA                CA        
THR                CB                CB        
THR                CG2               CG2        
THR                N                 N        
THR                O                 O        
THR                OG1               OG1        
TRP                H                 H        
TRP                NH                 H        
TRP                HA                HA        
TRP                HB2       2HB        
TRP                HB3       3HB        
TRP                HD1               HD1        
TRP                HE1               HE1        
TRP                HE3               HE3        
TRP                HZ2               HZ2        
TRP                HZ3               HZ3        
TRP                HH2               HH2        
TRP                C                 C        
TRP                CA                CA        
TRP                CB                CB        
TRP                CG                CG        
TRP                CD1               CD1        
TRP                CD2               CD2        
TRP                CE2               CE2        
TRP                CE3               CE3        
TRP                CZ2               CZ2        
TRP                CZ3               CZ3        
TRP                CH2               CH2        
TRP                N                 N        
TRP                NE1               NE1        
TRP                O                 O        
TYR                H                 H        
TYR                NH                 H        
TYR                HA                HA        
TYR                HB2       2HB        
TYR                HB3       3HB        
TYR                HD1               HD1        
TYR                HD2               HD2        
TYR                HE1               HE1        
TYR                HE2               HE2        
TYR                HH                HH        
TYR                C                 C        
TYR                CA                CA        
TYR                CB                CB        
TYR                CG                CG        
TYR                CD1               CD1        
TYR                CD2               CD2        
TYR                CE1               CE1        
TYR                CE2               CE2        
TYR                CZ                CZ        
TYR                N                 N        
TYR                O                 O        
TYR                OH                OH        
VAL                H                 H        
VAL                NH                 H        
VAL                HA                HA        
VAL                HB                HB        
VAL                HG11             1HG1        
VAL                HG12             2HG1        
VAL                HG13             3HG1        
VAL                HG21             1HG2        
VAL                HG22             2HG2        
VAL                HG23             3HG2        
VAL                C                 C        
VAL                CA                CA        
VAL                CB                CB        
VAL                CG1        CG1        
VAL                CG2        CG2        
VAL                N                 N        
VAL                O                 O