非天然氨基酸力场(AMBER14SB):
[ ACF ]
[ atoms ]
N N -0.592968 1
H H 0.328065 2
CA CX 0.045321 3
HA H1 0.089993 4
CB CT -0.161169 5
HB1 HC 0.080057 6
HB2 HC 0.080057 7
CG CA 0.086801 8
CD1 CA -0.169579 9
HD1 HA 0.145077 10
CE1 CA -0.152884 11
HE1 HA 0.158781 12
CZ CA -0.084043 13
CH C 0.665645 14
OH O -0.548030 15
CQ CT -0.424218 16
HQ1 HC 0.114749 17
HQ2 HC 0.114749 18
HQ3 HC 0.114749 19
CE2 CA -0.152884 20
HE2 HA 0.158781 21
CD2 CA -0.169579 22
HD2 HA 0.145077 23
C C 0.687732 24
O O -0.560279 25
[ bonds ]
N H
N CA
CA HA
CA CB
CA C
CB HB1
CB HB2
CB CG
CG CD1
CG CD2
CD1 HD1
CD1 CE1
CE1 HE1
CE1 CZ
CZ CH
CZ CE2
CH OH
CH CQ
CQ HQ1
CQ HQ2
CQ HQ3
CE2 HE2
CE2 CD2
CD2 HD2
C O
-C N
[ impropers ]
-C CA N H
CA +N C O
CG CE2 CD2 HD2
CZ CD2 CE2 HE2
CE1 CE2 CZ CH
CZ CQ CH OH
CD1 CZ CE1 HE1
CG CE1 CD1 HD1
CD1 CD2 CG CB
[ ARF ]
[ atoms ]
N N -0.600072 1
H H 0.326543 2
CA CX 0.017227 3
HA H1 0.089688 4
CB CT -0.108095 5
HB1 HC 0.062760 6
HB2 HC 0.062760 7
CG CA 0.020568 8
CD1 CA -0.146464 9
HD1 HA 0.155260 10
CE1 CA -0.276844 11
HE1 HA 0.181990 12
CZ CA 0.317740 13
NZ N -0.594733 14
HNZ HN 0.290134 15
CH C 0.868264 16
OH O -0.593185 17
CI CT -0.234130 18
HI HC 0.111133 19
CK CT -0.414520 20
HK1 HC 0.205452 21
HK2 HC 0.205452 22
CE2 CA -0.276844 23
HE2 HA 0.181990 24
CD2 CA -0.146464 25
HD2 HA 0.155260 26
C C 0.709337 27
O O -0.570207 28
[ bonds ]
N H
N CA
CA HA
CA CB
CA C
CB HB1
CB HB2
CB CG
CG CD1
CG CD2
CD1 HD1
CD1 CE1
CE1 HE1
CE1 CZ
CZ NZ
CZ CE2
NZ HNZ
NZ CH
CH OH
CH CQ
CQ HQ1
CQ HQ2
CQ HQ3
CE2 HE2
CE2 CD2
CD2 HD2
C O
-C N
[ impropers ]
-C CA N H
CA +N C O
CG CE2 CD2 HD2
CZ CD2 CE2 HE2
CE1 CE2 CZ NZ
CZ CH NZ HNZ
CD1 CZ CE1 HE1
CG CE1 CD1 HD1
CD1 CD2 CG CB