/dports/science/gromacs/gromacs-2021.4/share/top/ |
H A D | atommass.dat | 119 LYS MNZ1 0.0 120 LYS MNZ2 0.0 161 LYS CD 14.0270 162 LYS CE 14.0270 163 LYS NZ 16.0227
|
/dports/science/py-MDAnalysisTests/MDAnalysisTests-0.19.2/MDAnalysisTests/data/ |
H A D | pdbqt_inputpdbqt.pdbqt | 26 ATOM 26 N LYS A 5 7.808 -3.938 25.649 1.00 0.00 -0.346 N 27 ATOM 27 HN LYS A 5 8.671 -3.394 25.618 1.00 0.00 0.163 HD 28 ATOM 28 CA LYS A 5 6.615 -3.343 26.250 1.00 0.00 0.176 C 29 ATOM 29 C LYS A 5 6.294 -2.088 25.460 1.00 0.00 0.241 C 30 ATOM 30 O LYS A 5 7.084 -1.155 25.428 1.00 0.00 -0.271 OA 31 ATOM 31 CB LYS A 5 6.936 -3.000 27.691 1.00 0.00 0.035 C 32 ATOM 32 CG LYS A 5 7.473 -4.232 28.536 1.00 0.00 0.004 C 33 ATOM 33 CD LYS A 5 6.333 -5.339 28.697 1.00 0.00 0.019 C 34 ATOM 34 CE LYS A 5 6.649 -6.465 29.731 1.00 0.00 0.111 C 35 ATOM 35 NZ LYS A 5 8.021 -6.416 29.815 1.00 0.00 -0.430 N [all …]
|
H A D | 2r9r-1b.psf | 48 28 A 384 LYS N NH1 -0.470000 14.0070 0 49 29 A 384 LYS HN H 0.310000 1.0080 0 50 30 A 384 LYS CA CT1 0.070000 12.0110 0 51 31 A 384 LYS CB CT2 -0.180000 12.0110 0 52 32 A 384 LYS CG CT2 -0.180000 12.0110 0 53 33 A 384 LYS CD CT2 -0.180000 12.0110 0 54 34 A 384 LYS CE CT2 0.210000 12.0110 0 55 35 A 384 LYS NZ NH3 -0.300000 14.0070 0 56 36 A 384 LYS C C 0.510000 12.0110 0 57 37 A 384 LYS O O -0.510000 15.9990 0 [all …]
|
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/dat/ |
H A D | PEOEPB.DAT | 3 # LYS/TYR/CYS with one deleted H 777 LYS CA 0.091 1.70 778 LYS CB -0.065 1.70 779 LYS CG -0.103 1.70 780 LYS CD -0.137 1.70 781 LYS CE -0.106 1.70 782 LYS NZ -0.640 1.50 783 LYS HA 0.217 1.00 784 LYS HB1 0.076 1.00 785 LYS HB2 0.076 1.00 [all …]
|
H A D | PARSE.DAT | 328 LYS N -0.400 1.5 329 LYS CA -0.000 2.0 330 LYS HN 0.400 1.0 331 LYS HA 0.000 0.0 332 LYS C 0.550 1.7 333 LYS O -0.550 1.4 334 LYS CB 0.000 2.0 335 LYS HB1 0.000 0.0 337 LYS CG 0.000 2.0 340 LYS CD 0.000 2.0 [all …]
|
/dports/biology/emboss/EMBOSS-6.6.0/test/data/structure/ |
H A D | d1cs4a_.ccf | 56 CO 1 1 . P 26 381 . . . . . . K LYS N 32.879 -25.83… 57 CO 1 1 . P 26 381 . . . . . . K LYS CA 32.167 -25.89… 58 CO 1 1 . P 26 381 . . . . . . K LYS C 32.966 -25.13… 59 CO 1 1 . P 26 381 . . . . . . K LYS O 34.177 -25.32… 60 CO 1 1 . P 26 381 . . . . . . K LYS CB 31.975 -27.35… 61 CO 1 1 . P 26 381 . . . . . . K LYS CG 31.084 -28.16… 62 CO 1 1 . P 26 381 . . . . . . K LYS CD 30.866 -29.59… 63 CO 1 1 . P 26 381 . . . . . . K LYS CE 29.961 -30.38… 64 CO 1 1 . P 26 381 . . . . . . K LYS NZ 29.596 -31.72… 102 CO 1 1 . P 31 386 E 3 A1 . . . K LYS N 29.214 -19.16… [all …]
|
H A D | d1ii7a_.ccf | 106 CO 1 1 . P 18 18 E 2 A . . . K LYS N 24.542 22.06… 107 CO 1 1 . P 18 18 E 2 A . . . K LYS CA 25.412 22.61… 108 CO 1 1 . P 18 18 E 2 A . . . K LYS C 25.366 24.12… 109 CO 1 1 . P 18 18 E 2 A . . . K LYS O 24.368 24.71… 110 CO 1 1 . P 18 18 E 2 A . . . K LYS CB 25.012 22.10… 111 CO 1 1 . P 18 18 E 2 A . . . K LYS CG 25.067 20.59… 112 CO 1 1 . P 18 18 E 2 A . . . K LYS CD 25.190 20.22… 113 CO 1 1 . P 18 18 E 2 A . . . K LYS CE 25.551 18.75… 114 CO 1 1 . P 18 18 E 2 A . . . K LYS NZ 26.765 18.42… 210 CO 1 1 . P 30 30 E 2 A . . . K LYS N 17.278 37.48… [all …]
|
/dports/biology/py-biopython/biopython-1.79/Tests/PDB/ |
H A D | 1LCD.cif | 235 3 2 LYS n 266 3 33 LYS n 270 3 37 LYS n 4044 C 3 2 LYS 2 2 2 LYS LYS A . n 4075 C 3 33 LYS 33 33 33 LYS LYS A . n 4079 C 3 37 LYS 37 37 37 LYS LYS A . n 4434 214 Y 1 1 A LYS 2 ? HA ? 4435 215 Y 1 1 A LYS 2 ? HB2 ? 4436 216 Y 1 1 A LYS 2 ? HB3 ? 4437 217 Y 1 1 A LYS 2 ? HG2 ? [all …]
|
/dports/biology/emboss/EMBOSS-6.6.0/test/data/ |
H A D | 1atn.pxyz | 156 CO 1 1 . P 19 18 E 2 A1 . . . K LYS N 100.071 50.62… 157 CO 1 1 . P 19 18 E 2 A1 . . . K LYS CA 99.552 49.74… 158 CO 1 1 . P 19 18 E 2 A1 . . . K LYS C 100.449 49.99… 159 CO 1 1 . P 19 18 E 2 A1 . . . K LYS O 100.685 51.12… 160 CO 1 1 . P 19 18 E 2 A1 . . . K LYS CB 98.145 50.08… 161 CO 1 1 . P 19 18 E 2 A1 . . . K LYS CG 97.049 49.60… 162 CO 1 1 . P 19 18 E 2 A1 . . . K LYS CD 97.120 50.14… 163 CO 1 1 . P 19 18 E 2 A1 . . . K LYS CE 97.171 51.66… 164 CO 1 1 . P 19 18 E 2 A1 . . . K LYS NZ 96.935 52.13… 387 CO 1 1 . P 51 50 . . . . . . K LYS N 120.912 44.71… [all …]
|
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/lugano-6d/ |
H A D | GB1_smog.top | 48 28 NB_1 4 LYS N 28 49 29 NB_1 4 LYS CA 29 50 30 NB_1 4 LYS C 30 51 31 NB_1 4 LYS O 31 52 32 NB_1 4 LYS CB 32 53 33 NB_1 4 LYS CG 33 54 34 NB_1 4 LYS CD 34 55 35 NB_1 4 LYS CE 35 56 36 NB_1 4 LYS NZ 36 93 73 NB_1 10 LYS N 73 [all …]
|
/dports/biology/emboss/EMBOSS-6.6.0/test/data/structure/domainer/ |
H A D | d1cs4a_.ccf | 242 CO 1 1 . P 31 425 H 2 2 1 . . K LYS N 48.518 -26.27… 243 CO 1 1 . P 31 425 H 2 2 1 . . K LYS CA 47.964 -27.01… 244 CO 1 1 . P 31 425 H 2 2 1 . . K LYS C 47.063 -26.09… 245 CO 1 1 . P 31 425 H 2 2 1 . . K LYS O 45.979 -26.48… 246 CO 1 1 . P 31 425 H 2 2 1 . . K LYS CB 49.085 -27.60… 247 CO 1 1 . P 31 425 H 2 2 1 . . K LYS CG 49.942 -28.64… 248 CO 1 1 . P 31 425 H 2 2 1 . . K LYS CD 51.268 -28.88… 249 CO 1 1 . P 31 425 H 2 2 1 . . K LYS CE 52.258 -29.64… 250 CO 1 1 . P 31 425 H 2 2 1 . . K LYS NZ 53.660 -29.60… 329 CO 1 1 . P 42 436 E 1 A1 . . . K LYS N 46.066 -20.82… [all …]
|
H A D | d1ii7a_.ccf | 106 CO 1 1 . P 18 18 E 2 A . . . K LYS N 24.542 22.06… 107 CO 1 1 . P 18 18 E 2 A . . . K LYS CA 25.412 22.61… 108 CO 1 1 . P 18 18 E 2 A . . . K LYS C 25.366 24.12… 109 CO 1 1 . P 18 18 E 2 A . . . K LYS O 24.368 24.71… 110 CO 1 1 . P 18 18 E 2 A . . . K LYS CB 25.012 22.10… 111 CO 1 1 . P 18 18 E 2 A . . . K LYS CG 25.067 20.59… 112 CO 1 1 . P 18 18 E 2 A . . . K LYS CD 25.190 20.22… 113 CO 1 1 . P 18 18 E 2 A . . . K LYS CE 25.551 18.75… 114 CO 1 1 . P 18 18 E 2 A . . . K LYS NZ 26.765 18.42… 210 CO 1 1 . P 30 30 E 2 A . . . K LYS N 17.278 37.48… [all …]
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/trypsin/ |
H A D | trypsin.top | 837 43LYS 60 0 589 1 1 1 863 69LYS 87 0 1001 1 1 1 883 89LYS 107 0 1320 1 1 1 919 125LYS 145 0 1825 1 1 1 933 139LYS 159 0 2028 1 1 1 943 149LYS 169 0 2164 1 1 1 991 197LYS 222 0 2838 3 1 1 993 199LYS 224 0 2874 3 1 1 999 205LYS 230 0 2968 3 1 1 1617 LYS N 1 1 60 122 122 8 159 159 159 0 0 1 589 [all …]
|
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/trypsin/ |
H A D | trypsin.top | 837 43LYS 60 0 589 1 1 1 863 69LYS 87 0 1001 1 1 1 883 89LYS 107 0 1320 1 1 1 919 125LYS 145 0 1825 1 1 1 933 139LYS 159 0 2028 1 1 1 943 149LYS 169 0 2164 1 1 1 991 197LYS 222 0 2838 3 1 1 993 199LYS 224 0 2874 3 1 1 999 205LYS 230 0 2968 3 1 1 1617 LYS N 1 1 60 122 122 8 159 159 159 0 0 1 589 [all …]
|
/dports/science/gromacs/gromacs-2021.4/share/top/oplsaa.ff/ |
H A D | aminoacids.r2b | 4 LYS LYSH 5 LYSN LYS
|
/dports/science/gromacs/gromacs-2021.4/share/top/gromos45a3.ff/ |
H A D | aminoacids.r2b | 6 LYS LYSH 7 LYSN LYS
|
/dports/science/gromacs/gromacs-2021.4/share/top/gromos53a5.ff/ |
H A D | aminoacids.r2b | 6 LYS LYSH 7 LYSN LYS
|
/dports/science/gromacs/gromacs-2021.4/share/top/gromos43a2.ff/ |
H A D | aminoacids.r2b | 6 LYS LYSH 7 LYSN LYS
|
/dports/science/gromacs/gromacs-2021.4/share/top/gromos53a6.ff/ |
H A D | aminoacids.r2b | 6 LYS LYSH 7 LYSN LYS
|
/dports/science/gromacs/gromacs-2021.4/share/top/gromos54a7.ff/ |
H A D | aminoacids.r2b | 6 LYS LYSH 7 LYSN LYS
|
/dports/science/gromacs/gromacs-2021.4/share/top/gromos43a1.ff/ |
H A D | aminoacids.r2b | 6 LYS LYSH 7 LYSN LYS
|
/dports/biology/jalview/jalview/test/jalview/io/ |
H A D | 3ucu.cif | 138 1 20 LYS n 140 1 22 LYS n 3809 A 1 20 LYS 20 20 20 LYS LYS P . n 3811 A 1 22 LYS 22 22 22 LYS LYS P . n 3812 A 1 23 LYS 23 23 23 LYS LYS P . n 3816 A 1 27 LYS 27 27 27 LYS LYS P . n 3817 A 1 28 LYS 28 28 28 LYS LYS P . n 3839 A 1 50 LYS 50 50 50 LYS LYS P . n 3849 A 1 60 LYS 60 60 60 LYS LYS P . n 3869 A 1 80 LYS 80 80 80 LYS LYS P . n [all …]
|
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/ion-protein/ |
H A D | complex.pqr | 24 ATOM 24 CA LYS 19 273.486 170.809 81.708 0.070 2.275 62 ATOM 62 CA LYS 105 293.517 162.457 97.311 0.070 2.275 81 ATOM 81 CA LYS 124 281.446 148.364 78.748 0.070 2.275 110 ATOM 110 CA LYS 156 294.148 155.242 81.658 0.070 2.275 130 ATOM 130 CA LYS 176 290.075 187.592 89.799 0.070 2.275 210 ATOM 210 CA LYS 389 301.282 181.686 83.201 0.070 2.275 223 ATOM 223 CA LYS 402 304.850 174.583 100.616 0.070 2.275
|
H A D | small491.pqr | 24 ATOM 24 CA LYS 19 273.486 170.809 81.708 0.070 2.275 62 ATOM 62 CA LYS 105 293.517 162.457 97.311 0.070 2.275 81 ATOM 81 CA LYS 124 281.446 148.364 78.748 0.070 2.275 110 ATOM 110 CA LYS 156 294.148 155.242 81.658 0.070 2.275 130 ATOM 130 CA LYS 176 290.075 187.592 89.799 0.070 2.275 210 ATOM 210 CA LYS 389 301.282 181.686 83.201 0.070 2.275 223 ATOM 223 CA LYS 402 304.850 174.583 100.616 0.070 2.275
|
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/misc/ |
H A D | mache.pqr | 322 ATOM 322 N LYS 23 -27.138 5.076 -3.143 -0.348 1.824 323 ATOM 323 HN LYS 23 -27.149 4.624 -2.239 0.275 1.000 324 ATOM 324 CA LYS 23 -27.164 6.554 -3.279 -0.240 1.908 325 ATOM 325 HA LYS 23 -28.176 6.766 -3.626 0.143 1.387 326 ATOM 326 CB LYS 23 -27.016 7.136 -1.860 -0.009 1.908 327 ATOM 327 HB1 LYS 23 -27.730 6.721 -1.149 0.036 1.487 328 ATOM 328 HB2 LYS 23 -27.224 8.205 -1.908 0.036 1.487 329 ATOM 329 CG LYS 23 -25.664 6.921 -1.224 0.019 1.908 330 ATOM 330 HG1 LYS 23 -24.911 7.532 -1.721 0.010 1.487 331 ATOM 331 HG2 LYS 23 -25.361 5.874 -1.232 0.010 1.487 [all …]
|