MMTSB
Tool Set Documentation

phmd-g5.in

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* States file for PHMD
* New Cmap
* RESNAME MODEL_PKA PARA PARB
* ATOM_TYPE CHARGE(1) CHARGE(2) [RAD(1) RAD(2)]
*
ASP1 4.0 -83.1449 0.263317 2.5
CB -0.21 -0.28
HB1 0.09 0.09
HB2 0.09 0.09
CG 0.75 0.62
OD1 -0.61 -0.76
OD2 -0.55 -0.76
HD1 0.44 0.00 1.0 0.0
HD2 0.00 0.00

ASP2 4.0 -82.9913 0.263723 2.5 -31.7524 0.498452
-29.0904 61.1268 -31.8416 0.499173 -83.0656 0.264118
CB -0.21 -0.28
HB1 0.09 0.09
HB2 0.09 0.09
CG 0.75 0.62
OD1 -0.55 -0.76
OD2 -0.61 -0.76
HD1 0.00 0.00
HD2 0.44 0.00 1.0 0.0

GLU1 4.4 -82.7976 0.242148 2.5
CG -0.21 -0.28
HG1 0.09 0.09
HG2 0.09 0.09
CD 0.75 0.62
OE1 -0.61 -0.76
OE2 -0.55 -0.76
HE1 0.44 0.00 1.0 0.0
HE2 0.00 0.00

GLU2 4.4 -83.1045 0.242341 2.5 -31.7203 0.499055
-28.9689 61.0492 -31.866 0.49921 -82.9719 0.242416
CG -0.21 -0.28
HG1 0.09 0.09
HG2 0.09 0.09
CD 0.75 0.62
OE1 -0.55 -0.76
OE2 -0.61 -0.76
HE1 0.00 0.00
HE2 0.44 0.00 1.0 0.0

HSD 6.60 -50.9736 0.535605 2.5
ND1 -0.51 -0.70
HD1 0.44 0.00 1.0 0.0
CE1 0.32 0.25
HE1 0.18 0.13
NE2 -0.51 -0.36
HE2 0.44 0.32
CD2 0.19 -0.05
HD2 0.13 0.09
CG 0.19 0.22
CB -0.05 -0.08

HSE 7.00 -51.4334 0.686206 2.5 -41.1357 0.311597
0.0 0.0 0.0 0.0 0.0 0.0
ND1 -0.51 -0.36
HD1 0.44 0.32
CE1 0.32 0.25
HE1 0.18 0.13
NE2 -0.51 -0.70
HE2 0.44 0.00 1.0 0.0
CD2 0.19 0.22
HD2 0.13 0.10
CG 0.19 -0.05
CB -0.05 -0.09

CTALA1 3.8 -89.9451 0.182294 2.5
C 0.72 0.34
OT1 -0.61 -0.67
OT2 -0.55 -0.67
HC1 0.44 0.00 1.0 0.0
HC2 0.00 0.00

CTALA2 3.8 -89.8848 0.18217 2.5 -30.1692 0.498928
-27.8016 58.2471 -30.2623 0.49975 -89.8274 0.182187
C 0.72 0.34
OT1 -0.55 -0.67
OT2 -0.61 -0.67
HC1 0.00 0.00
HC2 0.44 0.00 1.0 0.0

CTGLY1 3.8 -91.007 0.22983 2.5
C 0.72 0.34
OT1 -0.61 -0.67
OT2 -0.55 -0.67
HC1 0.44 0.00 1.0 0.0
HC2 0.00 0.00

CTGLY2 3.8 -91.0601 0.230058 2.5 -29.8813 0.498051
-27.23 57.441 -30.003 0.500178 -91.0042 0.230078
C 0.72 0.34
OT1 -0.55 -0.67
OT2 -0.61 -0.67
HC1 0.00 0.00
HC2 0.44 0.00 1.0 0.0

CTPHE1 3.8 -90.2561 0.20457 2.5
C 0.72 0.34
OT1 -0.61 -0.67
OT2 -0.55 -0.67
HC1 0.44 0.00 1.0 0.0
HC2 0.00 0.00

CTPHE2 3.8 -90.2637 0.204617 2.5 -30.358 0.499778
-28.0304 58.6042 -30.4138 0.49965 -90.2338 0.20476
C 0.72 0.34
OT1 -0.55 -0.67
OT2 -0.61 -0.67
HC1 0.00 0.00
HC2 0.44 0.00 1.0 0.0
END