TRP (reference) in projects: dports - OpenGrok search results

Project(s)

Full Search
Definition
Symbol
File Path
History
Type

Searched refs:TRP (Results 1 – 25 of 1618) sorted by relevance

12 3 4 5 6 7 8 9 10 >>...65

/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/others/isdb-1/system/
H A D	box.gro	`47 5TRP N 45 2.586 1.385 2.107 48 5TRP HN 46 2.632 1.312 2.158 49 5TRP CA 47 2.448 1.421 2.142 50 5TRP HA 48 2.448 1.517 2.170 51 5TRP CB 49 2.361 1.404 2.022 52 5TRP HB1 50 2.421 1.373 1.948 53 5TRP HB2 51 2.296 1.332 2.045 54 5TRP CG 52 2.281 1.515 1.965 55 5TRP CD1 53 2.293 1.568 1.839 56 5TRP HD1 54 2.357 1.536 1.769 [all …]`
H A D	conf.gro	`47 5TRP N 45 3.518 3.341 1.574 48 5TRP HN 46 3.564 3.268 1.625 49 5TRP CA 47 3.380 3.377 1.609 50 5TRP HA 48 3.380 3.473 1.637 51 5TRP CB 49 3.293 3.360 1.489 52 5TRP HB1 50 3.353 3.329 1.415 53 5TRP HB2 51 3.228 3.288 1.512 54 5TRP CG 52 3.213 3.471 1.432 55 5TRP CD1 53 3.225 3.524 1.306 56 5TRP HD1 54 3.289 3.492 1.236 [all …]`
H A D	em.gro	`47 5TRP N 45 2.563 1.378 2.092 48 5TRP HN 46 2.595 1.289 2.125 49 5TRP CA 47 2.427 1.409 2.129 50 5TRP HA 48 2.423 1.510 2.167 51 5TRP CB 49 2.323 1.387 2.015 52 5TRP HB1 50 2.369 1.319 1.940 53 5TRP HB2 51 2.231 1.337 2.051 54 5TRP CG 52 2.280 1.514 1.947 55 5TRP CD1 53 2.322 1.563 1.826 56 5TRP HD1 54 2.397 1.515 1.764 [all …]`
H A D	topol.top	`84 ; residue 5 TRP rtp TRP q 0.0 88 48 HB1 5 TRP HA 48 0.09 1.008 ; qtot 0 91 51 HA2 5 TRP HB2 51 0.09 1.008 ; qtot 0 94 54 HP 5 TRP HD1 54 0.22 1.008 ; qtot 0.04 96 56 H 5 TRP HE1 56 0.37 1.008 ; qtot -0.1 97 57 CPT 5 TRP CE2 57 0.24 12.011 ; qtot 0.14 98 58 CPT 5 TRP CD2 58 0.11 12.011 ; qtot 0.25 99 59 CAI 5 TRP CE3 59 -0.25 12.011 ; qtot 0 104 64 HP 5 TRP HZ2 64 0.16 1.008 ; qtot 0 106 66 HP 5 TRP HH2 66 0.14 1.008 ; qtot 0 [all …]`
/dports/science/py-pymol/pymol-open-source-2.4.0/test/dat/
H A D	embed01.p1m	21 ATOM 20 N TRP E 4 1.173 -8.377 23.038 1.00 31.77 E N 22 ATOM 21 CA TRP E 4 0.007 -7.715 22.471 1.00 32.08 E C 23 ATOM 22 CB TRP E 4 -1.233 -7.992 23.344 1.00 32.83 E C 24 ATOM 23 CG TRP E 4 -1.500 -9.458 23.636 1.00 35.04 E C 25 ATOM 24 CD1 TRP E 4 -0.831 -10.264 24.528 1.00 35.36 E C 26 ATOM 25 CD2 TRP E 4 -2.507 -10.285 23.037 1.00 35.86 E C 27 ATOM 26 CE2 TRP E 4 -2.390 -11.576 23.610 1.00 34.80 E C 28 ATOM 27 CE3 TRP E 4 -3.500 -10.059 22.069 1.00 36.66 E C 29 ATOM 28 NE1 TRP E 4 -1.360 -11.535 24.514 1.00 33.13 E N 30 ATOM 29 CZ2 TRP E 4 -3.228 -12.638 23.249 1.00 36.81 E C [all …]
H A D	embed06.p1m	21 ATOM 20 N TRP E 4 1.173 -8.377 23.038 1.00 31.77 E N 22 ATOM 21 CA TRP E 4 0.007 -7.715 22.471 1.00 32.08 E C 23 ATOM 22 CB TRP E 4 -1.233 -7.992 23.344 1.00 32.83 E C 24 ATOM 23 CG TRP E 4 -1.500 -9.458 23.636 1.00 35.04 E C 25 ATOM 24 CD1 TRP E 4 -0.831 -10.264 24.528 1.00 35.36 E C 26 ATOM 25 CD2 TRP E 4 -2.507 -10.285 23.037 1.00 35.86 E C 27 ATOM 26 CE2 TRP E 4 -2.390 -11.576 23.610 1.00 34.80 E C 28 ATOM 27 CE3 TRP E 4 -3.500 -10.059 22.069 1.00 36.66 E C 29 ATOM 28 NE1 TRP E 4 -1.360 -11.535 24.514 1.00 33.13 E N 30 ATOM 29 CZ2 TRP E 4 -3.228 -12.638 23.249 1.00 36.81 E C [all …]
/dports/science/tinker/tinker/example/
H A D	photo.seq	6 C 76 ALA ILE THR GLU TRP VAL SER PRO GLN GLU GLY CYS THR TYR CYS 18 C 256 TRP GLY LYS LYS SER THR PRO GLN ARG ALA ILE ALA TRP TRP GLY 42 L 256 THR ARG GLY TRP PRO GLU TRP TRP GLY TRP TRP LEU ASP ILE PRO 43 L 271 PHE TRP SER 52 M 106 PRO LEU HIS ASP GLY GLY TRP TRP LEU MET ALA GLY LEU PHE MET 53 M 121 THR LEU SER LEU GLY SER TRP TRP ILE ARG VAL TYR SER ARG ALA 56 M 166 VAL GLY SER TRP SER GLU GLY VAL PRO PHE GLY ILE TRP PRO HIS 61 M 241 THR ALA VAL GLU ARG ALA ALA LEU PHE TRP ARG TRP THR ILE GLY 62 M 256 PHE ASN ALA THR ILE GLU SER VAL HIS ARG TRP GLY TRP PHE PHE 64 M 286 GLY THR PHE VAL ASP ASN TRP TYR LEU TRP CYS VAL LYS HIS GLY [all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/tests/complete-test/
H A D	test-output-1A1P-assign-only-correct.pqr	113 ATOM 93 N TRP 7 7.464 -2.585 -1.911 -0.4157 1.8240 114 ATOM 94 CA TRP 7 7.823 -4.026 -2.039 -0.0275 1.9080 115 ATOM 95 C TRP 7 6.859 -4.883 -1.228 0.5973 1.9080 116 ATOM 96 O TRP 7 6.800 -6.086 -1.383 -0.5679 1.6612 117 ATOM 97 CB TRP 7 9.242 -4.149 -1.467 -0.0050 1.9080 118 ATOM 98 CG TRP 7 9.350 -3.419 -0.161 -0.1415 1.9080 119 ATOM 99 CD1 TRP 7 10.087 -2.302 0.038 -0.1638 1.9080 120 ATOM 100 CD2 TRP 7 8.728 -3.729 1.122 0.1243 1.9080 121 ATOM 101 NE1 TRP 7 9.954 -1.905 1.356 -0.3418 1.8240 122 ATOM 102 CE2 TRP 7 9.125 -2.751 2.064 0.1380 1.9080 [all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/tests/pdb2pka-test/1a1p/
H A D	test-output-correct.pqr	119 ATOM 92 N TRP 7 7.464 -2.585 -1.911 -0.4000 1.5000 120 ATOM 93 CA TRP 7 7.823 -4.026 -2.039 -0.0000 2.0000 121 ATOM 94 C TRP 7 6.859 -4.883 -1.228 0.5500 1.7000 122 ATOM 95 O TRP 7 6.800 -6.086 -1.383 -0.5500 1.4000 123 ATOM 96 CB TRP 7 9.242 -4.149 -1.467 0.1250 2.0000 124 ATOM 97 CG TRP 7 9.350 -3.419 -0.161 -0.1250 1.7000 125 ATOM 98 CD1 TRP 7 10.087 -2.302 0.038 -0.1250 1.7000 126 ATOM 99 CD2 TRP 7 8.728 -3.729 1.122 -0.0000 1.7000 127 ATOM 100 NE1 TRP 7 9.954 -1.905 1.356 -0.4000 1.5000 128 ATOM 101 CE2 TRP 7 9.125 -2.751 2.064 0.0000 1.7000 [all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/bem-pKa/test_proteins/
H A D	2LZT-ASH66.pqr	422 ATOM 422 N TRP 28 -2.098 22.064 20.702 -0.4000 1.5000 423 ATOM 423 CA TRP 28 -2.147 20.581 20.747 -0.0000 2.0000 424 ATOM 424 C TRP 28 -1.151 19.971 19.763 0.5500 1.7000 425 ATOM 425 O TRP 28 -0.517 18.941 20.117 -0.5500 1.4000 426 ATOM 426 CB TRP 28 -3.553 19.998 20.500 0.1250 2.0000 427 ATOM 427 CG TRP 28 -4.607 20.550 21.393 -0.1250 1.7000 428 ATOM 428 CD1 TRP 28 -5.421 21.633 21.221 -0.1250 1.7000 429 ATOM 429 CD2 TRP 28 -4.868 20.068 22.722 -0.0000 1.7000 430 ATOM 430 NE1 TRP 28 -6.152 21.847 22.355 -0.4000 1.5000 431 ATOM 431 CE2 TRP 28 -5.843 20.906 23.275 0.0000 1.7000 [all …]
H A D	2LZT-noASP66.pqr	429 ATOM 422 N TRP 28 -2.098 22.064 20.702 -0.4000 1.5000 430 ATOM 423 CA TRP 28 -2.147 20.581 20.747 -0.0000 2.0000 431 ATOM 424 C TRP 28 -1.151 19.971 19.763 0.5500 1.7000 432 ATOM 425 O TRP 28 -0.517 18.941 20.117 -0.5500 1.4000 433 ATOM 426 CB TRP 28 -3.553 19.998 20.500 0.1250 2.0000 434 ATOM 427 CG TRP 28 -4.607 20.550 21.393 -0.1250 1.7000 435 ATOM 428 CD1 TRP 28 -5.421 21.633 21.221 -0.1250 1.7000 436 ATOM 429 CD2 TRP 28 -4.868 20.068 22.722 -0.0000 1.7000 437 ATOM 430 NE1 TRP 28 -6.152 21.847 22.355 -0.4000 1.5000 438 ATOM 431 CE2 TRP 28 -5.843 20.906 23.275 0.0000 1.7000 [all …]
H A D	2LZT-ASP66.pqr	422 ATOM 422 N TRP 28 -2.098 22.064 20.702 -0.4000 1.5000 423 ATOM 423 CA TRP 28 -2.147 20.581 20.747 -0.0000 2.0000 424 ATOM 424 C TRP 28 -1.151 19.971 19.763 0.5500 1.7000 425 ATOM 425 O TRP 28 -0.517 18.941 20.117 -0.5500 1.4000 426 ATOM 426 CB TRP 28 -3.553 19.998 20.500 0.1250 2.0000 427 ATOM 427 CG TRP 28 -4.607 20.550 21.393 -0.1250 1.7000 428 ATOM 428 CD1 TRP 28 -5.421 21.633 21.221 -0.1250 1.7000 429 ATOM 429 CD2 TRP 28 -4.868 20.068 22.722 -0.0000 1.7000 430 ATOM 430 NE1 TRP 28 -6.152 21.847 22.355 -0.4000 1.5000 431 ATOM 431 CE2 TRP 28 -5.843 20.906 23.275 0.0000 1.7000 [all …]
H A D	2LZT-noASH66.pqr	429 ATOM 422 N TRP 28 -2.098 22.064 20.702 -0.4000 1.5000 430 ATOM 423 CA TRP 28 -2.147 20.581 20.747 -0.0000 2.0000 431 ATOM 424 C TRP 28 -1.151 19.971 19.763 0.5500 1.7000 432 ATOM 425 O TRP 28 -0.517 18.941 20.117 -0.5500 1.4000 433 ATOM 426 CB TRP 28 -3.553 19.998 20.500 0.1250 2.0000 434 ATOM 427 CG TRP 28 -4.607 20.550 21.393 -0.1250 1.7000 435 ATOM 428 CD1 TRP 28 -5.421 21.633 21.221 -0.1250 1.7000 436 ATOM 429 CD2 TRP 28 -4.868 20.068 22.722 -0.0000 1.7000 437 ATOM 430 NE1 TRP 28 -6.152 21.847 22.355 -0.4000 1.5000 438 ATOM 431 CE2 TRP 28 -5.843 20.906 23.275 0.0000 1.7000 [all …]
/dports/biology/ncbi-toolkit/ncbi/data/
H A D	ContactPotential	4 … LYS MET PHE PRO SER THR TRP TYR … 22 TRP -0.116827817 0.24373902 -0.53826981 -1.28657109 -0.07985929 -0.458730594 0.088578338 -0.03642… 28 … LYS MET PHE PRO SER THR TRP TYR … 46 TRP 0.047998175 0.05002751 -0.42408842 -0.38553470 0.761392181 -0.7122378533 0.020285952 0.137… 52 …LYS MET PHE PRO SER THR TRP TYR … 70 TRP 0.213129974 -0.241562817 0.11956091 0.12551462 0.64974644 -0.20444341 -0.15262768 -0.147169… 76 …LYS MET PHE PRO SER THR TRP TYR … 94 TRP 0.181285385 0.2884060468 -0.062257018 -0.26296010 0.4416048950 0.243684652 0.22156734 -0.2… 100 …S MET PHE PRO SER THR TRP TYR … 118 TRP 0.083455895 -0.05073183 -0.141243901 0.14806067 0.2031903962 -0.11227365 0.014201024 -0.143… [all …]
/dports/biology/ncbi-cxx-toolkit/ncbi_cxx--25_2_0/src/app/cn3d/data/
H A D	ContactPotential	4 … LYS MET PHE PRO SER THR TRP TYR … 22 TRP -0.116827817 0.24373902 -0.53826981 -1.28657109 -0.07985929 -0.458730594 0.088578338 -0.03642… 28 … LYS MET PHE PRO SER THR TRP TYR … 46 TRP 0.047998175 0.05002751 -0.42408842 -0.38553470 0.761392181 -0.7122378533 0.020285952 0.137… 52 …LYS MET PHE PRO SER THR TRP TYR … 70 TRP 0.213129974 -0.241562817 0.11956091 0.12551462 0.64974644 -0.20444341 -0.15262768 -0.147169… 76 …LYS MET PHE PRO SER THR TRP TYR … 94 TRP 0.181285385 0.2884060468 -0.062257018 -0.26296010 0.4416048950 0.243684652 0.22156734 -0.2… 100 …S MET PHE PRO SER THR TRP TYR … 118 TRP 0.083455895 -0.05073183 -0.141243901 0.14806067 0.2031903962 -0.11227365 0.014201024 -0.143… [all …]
/dports/science/gromacs/gromacs-2021.4/share/top/
H A D	random.dat	`130 TRP H 8.09 131 TRP HA 4.70 132 TRP 1HB 3.26 133 TRP 2HB 3.26 134 TRP HB1 3.26 135 TRP HB2 3.26 137 TRP HD1 7.24 138 TRP HE3 7.65 139 TRP HZ3 7.17 140 TRP HH2 7.24 [all …]`
/dports/science/dakota/dakota-6.13.0-release-public.src-UI/packages/external/acro/packages/pebbl/etc/qss/data/
H A D	1n5z.boltz.outall.test.1	`22 # 15 : 169-174 : TRP 41 # 15 : 197-204 : TRP 60 # 15 : 189-194 : TRP 79 # 15 : 175-181 : TRP 98 # 15 : 188-195 : TRP 117 # 15 : 188-193 : TRP 136 # 15 : 176-183 : TRP 155 # 15 : 156-162 : TRP 174 # 15 : 193-200 : TRP`
H A D	1abo.boltz.outall.test.2	`22 # 15 : 194-200 : TRP 41 # 15 : 162-168 : TRP 60 # 15 : 171-178 : TRP 79 # 15 : 175-181 : TRP 98 # 15 : 189-194 : TRP 117 # 15 : 182-188 : TRP 136 # 15 : 171-177 : TRP 155 # 15 : 198-205 : TRP 174 # 15 : 220-227 : TRP`
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/tests/pdb2pka-test/2m0w/
H A D	test-output-correct.pqr	196 ATOM 184 N TRP 14 -7.604 -7.483 19.520 -0.4000 1.5000 197 ATOM 185 CA TRP 14 -8.842 -7.730 20.312 -0.0000 2.0000 198 ATOM 186 C TRP 14 -9.617 -6.428 20.523 0.5500 1.7000 199 ATOM 187 O TRP 14 -10.827 -6.394 20.427 -0.5500 1.4000 200 ATOM 188 CB TRP 14 -8.361 -8.300 21.649 0.1250 2.0000 201 ATOM 189 CG TRP 14 -7.803 -7.211 22.513 -0.1250 1.7000 202 ATOM 190 CD1 TRP 14 -6.486 -6.981 22.721 -0.1250 1.7000 203 ATOM 191 CD2 TRP 14 -8.520 -6.210 23.297 -0.0000 1.7000 204 ATOM 192 NE1 TRP 14 -6.348 -5.906 23.579 -0.4000 1.5000 205 ATOM 193 CE2 TRP 14 -7.572 -5.395 23.962 0.0000 1.7000 [all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/tests/pdb2pka-test/2m8f/
H A D	test-output-correct.pqr	216 ATOM 204 N TRP 16 2.851 -2.378 2.074 -0.4000 1.5000 217 ATOM 205 CA TRP 16 3.819 -1.516 2.819 -0.0000 2.0000 218 ATOM 206 C TRP 16 4.298 -0.321 1.980 0.5500 1.7000 219 ATOM 207 O TRP 16 4.036 -0.250 0.786 -0.5500 1.4000 220 ATOM 208 CB TRP 16 4.963 -2.303 3.492 0.1250 2.0000 221 ATOM 209 CG TRP 16 5.933 -1.600 4.391 -0.1250 1.7000 222 ATOM 210 CD1 TRP 16 7.233 -1.383 4.095 -0.1250 1.7000 223 ATOM 211 CD2 TRP 16 5.763 -1.162 5.774 -0.0000 1.7000 224 ATOM 212 NE1 TRP 16 7.862 -0.796 5.171 -0.4000 1.5000 225 ATOM 213 CE2 TRP 16 7.002 -0.623 6.233 0.0000 1.7000 [all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/protein-rna/
H A D	model_outNpep.pqr	306 ATOM 299 N TRP 18 18.145 -2.007 23.569 -0.4157 1.8240 307 ATOM 300 CA TRP 18 17.015 -1.302 24.242 -0.0275 1.9080 308 ATOM 301 C TRP 18 16.042 -2.320 24.830 0.5973 1.9080 309 ATOM 302 O TRP 18 15.678 -2.257 26.004 -0.5679 1.6612 310 ATOM 303 CB TRP 18 16.327 -0.503 23.142 -0.0050 1.9080 311 ATOM 304 CG TRP 18 15.211 0.302 23.732 -0.1415 1.9080 312 ATOM 305 CD1 TRP 18 15.325 1.536 24.275 -0.1638 1.9080 313 ATOM 306 CD2 TRP 18 13.815 -0.063 23.838 0.1243 1.9080 314 ATOM 307 NE1 TRP 18 14.074 1.947 24.708 -0.3418 1.8240 315 ATOM 308 CE2 TRP 18 13.111 0.989 24.460 0.1380 1.9080 [all …]
/dports/science/py-scoria/scoria-1.0.5/scoria/sample-files/
H A D	M2_traj.psf	`142 136 CLV 20 TRP N N 0.000000 14.0070 0 143 137 CLV 20 TRP CA CA 0.000000 12.0110 0 144 138 CLV 20 TRP CB CB 0.000000 12.0110 0 145 139 CLV 20 TRP CG CG 0.000000 12.0110 0 146 140 CLV 20 TRP CD1 CD1 0.000000 12.0110 0 147 141 CLV 20 TRP NE1 NE1 0.000000 14.0070 0 148 142 CLV 20 TRP CE2 CE2 0.000000 12.0110 0 149 143 CLV 20 TRP CD2 CD2 0.000000 12.0110 0 150 144 CLV 20 TRP CE3 CE3 0.000000 12.0110 0 151 145 CLV 20 TRP CZ3 CZ3 0.000000 12.0110 0 [all …]`
/dports/lang/erlang-runtime23/otp-OTP-23.3.4.10/erts/emulator/beam/
H A D	bif.h	405 #define ERTS_BIF_PREP_YIELD0(RET, TRP, P) \ argument 408 ERTS_BIF_PREP_TRAP0(RET, (TRP), (P)); \ 411 #define ERTS_BIF_PREP_YIELD1(RET, TRP, P, A0) \ argument 414 ERTS_BIF_PREP_TRAP1(RET, (TRP), (P), (A0)); \ 435 #define ERTS_BIF_YIELD0(TRP, P) \ argument 441 #define ERTS_BIF_YIELD1(TRP, P, A0) \ argument 444 BIF_TRAP1((TRP), (P), (A0)); \ 447 #define ERTS_BIF_YIELD2(TRP, P, A0, A1) \ argument 450 BIF_TRAP2((TRP), (P), (A0), (A1)); \ 453 #define ERTS_BIF_YIELD3(TRP, P, A0, A1, A2) \ argument [all …]
/dports/lang/erlang-runtime24/otp-OTP-24.1.7/erts/emulator/beam/
H A D	bif.h	463 #define ERTS_BIF_PREP_YIELD0(RET, TRP, P) \ argument 466 ERTS_BIF_PREP_TRAP0(RET, (TRP), (P)); \ 469 #define ERTS_BIF_PREP_YIELD1(RET, TRP, P, A0) \ argument 472 ERTS_BIF_PREP_TRAP1(RET, (TRP), (P), (A0)); \ 493 #define ERTS_BIF_YIELD0(TRP, P) \ argument 499 #define ERTS_BIF_YIELD1(TRP, P, A0) \ argument 502 BIF_TRAP1((TRP), (P), (A0)); \ 505 #define ERTS_BIF_YIELD2(TRP, P, A0, A1) \ argument 508 BIF_TRAP2((TRP), (P), (A0), (A1)); \ 511 #define ERTS_BIF_YIELD3(TRP, P, A0, A1, A2) \ argument [all …]
/dports/lang/erlang-runtime22/otp-OTP-22.3.4.24/erts/emulator/beam/
H A D	bif.h	405 #define ERTS_BIF_PREP_YIELD0(RET, TRP, P) \ argument 408 ERTS_BIF_PREP_TRAP0(RET, (TRP), (P)); \ 411 #define ERTS_BIF_PREP_YIELD1(RET, TRP, P, A0) \ argument 414 ERTS_BIF_PREP_TRAP1(RET, (TRP), (P), (A0)); \ 435 #define ERTS_BIF_YIELD0(TRP, P) \ argument 441 #define ERTS_BIF_YIELD1(TRP, P, A0) \ argument 444 BIF_TRAP1((TRP), (P), (A0)); \ 447 #define ERTS_BIF_YIELD2(TRP, P, A0, A1) \ argument 450 BIF_TRAP2((TRP), (P), (A0), (A1)); \ 453 #define ERTS_BIF_YIELD3(TRP, P, A0, A1, A2) \ argument [all …]

12 3 4 5 6 7 8 9 10 >>...65