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1b23_MC
ADDED
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@@ -0,0 +1,836 @@
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| 1 |
+
Residue conformations -------------------------------------------
|
| 2 |
+
R1 : G C3p_endo anti
|
| 3 |
+
R2 : G C3p_endo anti
|
| 4 |
+
R3 : C C3p_endo anti
|
| 5 |
+
R4 : G C3p_endo anti
|
| 6 |
+
R5 : C C3p_endo anti
|
| 7 |
+
R6 : G C3p_endo anti
|
| 8 |
+
R7 : U C4p_exo anti
|
| 9 |
+
R8 : 4SU
|
| 10 |
+
R9 : A C2p_endo syn
|
| 11 |
+
R10 : A C3p_endo anti
|
| 12 |
+
R11 : C C3p_endo anti
|
| 13 |
+
R12 : A C3p_endo anti
|
| 14 |
+
R13 : A C3p_endo anti
|
| 15 |
+
R14 : A C3p_endo anti
|
| 16 |
+
R15 : G C3p_endo anti
|
| 17 |
+
R16 : C C3p_endo anti
|
| 18 |
+
R18 : G C2p_endo anti
|
| 19 |
+
R19 : G C2p_endo anti
|
| 20 |
+
R20 : H2U
|
| 21 |
+
R21 : H2U
|
| 22 |
+
R22 : A C2p_exo anti
|
| 23 |
+
R23 : U C3p_endo anti
|
| 24 |
+
R24 : G C3p_endo anti
|
| 25 |
+
R25 : U C3p_endo anti
|
| 26 |
+
R26 : A C3p_endo anti
|
| 27 |
+
R27 : G C3p_endo anti
|
| 28 |
+
R28 : C C3p_endo anti
|
| 29 |
+
R29 : G C3p_endo anti
|
| 30 |
+
R30 : G C3p_endo anti
|
| 31 |
+
R31 : A C3p_endo anti
|
| 32 |
+
R32 : PSU
|
| 33 |
+
R33 : U C3p_endo anti
|
| 34 |
+
R34 : G C3p_endo anti
|
| 35 |
+
R35 : C C3p_endo anti
|
| 36 |
+
R36 : A C3p_endo anti
|
| 37 |
+
R37 : MIA
|
| 38 |
+
R38 : A C3p_endo anti
|
| 39 |
+
R39 : PSU
|
| 40 |
+
R40 : C C3p_endo anti
|
| 41 |
+
R41 : C C3p_endo anti
|
| 42 |
+
R42 : G C3p_endo anti
|
| 43 |
+
R43 : U C3p_endo anti
|
| 44 |
+
R44 : C C2p_endo anti
|
| 45 |
+
R45 : U C2p_endo anti
|
| 46 |
+
R46 : A C2p_exo anti
|
| 47 |
+
R48 : G C2p_endo anti
|
| 48 |
+
R49 : U C3p_endo anti
|
| 49 |
+
R50 : C C3p_endo anti
|
| 50 |
+
R51 : C C3p_endo anti
|
| 51 |
+
R52 : G C3p_endo anti
|
| 52 |
+
R53 : G C3p_endo anti
|
| 53 |
+
R54 : 5MU
|
| 54 |
+
R55 : PSU
|
| 55 |
+
R56 : C C3p_endo anti
|
| 56 |
+
R57 : G C3p_endo anti
|
| 57 |
+
R58 : A C2p_endo syn
|
| 58 |
+
R59 : C C3p_endo anti
|
| 59 |
+
R60 : U C2p_endo anti
|
| 60 |
+
R61 : C C3p_endo anti
|
| 61 |
+
R62 : C C3p_endo anti
|
| 62 |
+
R63 : G C2p_exo anti
|
| 63 |
+
R64 : G C3p_endo anti
|
| 64 |
+
R65 : A C3p_endo anti
|
| 65 |
+
R66 : A C3p_endo anti
|
| 66 |
+
R67 : C C3p_endo anti
|
| 67 |
+
R68 : G C3p_endo anti
|
| 68 |
+
R69 : C C3p_endo anti
|
| 69 |
+
R70 : G C3p_endo anti
|
| 70 |
+
R71 : C C3p_endo anti
|
| 71 |
+
R72 : C C3p_endo anti
|
| 72 |
+
R73 : U C3p_endo anti
|
| 73 |
+
R74 : C C3p_endo anti
|
| 74 |
+
R75 : C C3p_exo anti
|
| 75 |
+
R76 : A C2p_endo anti
|
| 76 |
+
P1 : ALA
|
| 77 |
+
P2 : LYS
|
| 78 |
+
P3 : GLY
|
| 79 |
+
P4 : GLU
|
| 80 |
+
P5 : PHE
|
| 81 |
+
P6 : ILE
|
| 82 |
+
P7 : ARG
|
| 83 |
+
P8 : THR
|
| 84 |
+
P9 : LYS
|
| 85 |
+
P10 : PRO
|
| 86 |
+
P11 : HIS
|
| 87 |
+
P12 : VAL
|
| 88 |
+
P13 : ASN
|
| 89 |
+
P14 : VAL
|
| 90 |
+
P15 : GLY
|
| 91 |
+
P16 : THR
|
| 92 |
+
P17 : ILE
|
| 93 |
+
P18 : GLY
|
| 94 |
+
P19 : HIS
|
| 95 |
+
P20 : VAL
|
| 96 |
+
P21 : ASP
|
| 97 |
+
P22 : HIS
|
| 98 |
+
P23 : GLY
|
| 99 |
+
P24 : LYS
|
| 100 |
+
P25 : THR
|
| 101 |
+
P26 : THR
|
| 102 |
+
P27 : LEU
|
| 103 |
+
P28 : THR
|
| 104 |
+
P29 : ALA
|
| 105 |
+
P30 : ALA
|
| 106 |
+
P31 : LEU
|
| 107 |
+
P32 : THR
|
| 108 |
+
P33 : TYR
|
| 109 |
+
P34 : VAL
|
| 110 |
+
P35 : ALA
|
| 111 |
+
P36 : ALA
|
| 112 |
+
P37 : ALA
|
| 113 |
+
P38 : GLU
|
| 114 |
+
P39 : ASN
|
| 115 |
+
P40 : PRO
|
| 116 |
+
P41 : ASN
|
| 117 |
+
P42 : VAL
|
| 118 |
+
P43 : GLU
|
| 119 |
+
P44 : VAL
|
| 120 |
+
P45 : LYS
|
| 121 |
+
P46 : ASP
|
| 122 |
+
P47 : TYR
|
| 123 |
+
P48 : GLY
|
| 124 |
+
P49 : ASP
|
| 125 |
+
P50 : ILE
|
| 126 |
+
P51 : ASP
|
| 127 |
+
P52 : LYS
|
| 128 |
+
P53 : ALA
|
| 129 |
+
P54 : PRO
|
| 130 |
+
P55 : GLU
|
| 131 |
+
P56 : GLU
|
| 132 |
+
P57 : ARG
|
| 133 |
+
P58 : ALA
|
| 134 |
+
P59 : ARG
|
| 135 |
+
P60 : GLY
|
| 136 |
+
P61 : ILE
|
| 137 |
+
P62 : THR
|
| 138 |
+
P63 : ILE
|
| 139 |
+
P64 : ASN
|
| 140 |
+
P65 : THR
|
| 141 |
+
P66 : ALA
|
| 142 |
+
P67 : HIS
|
| 143 |
+
P68 : VAL
|
| 144 |
+
P69 : GLU
|
| 145 |
+
P70 : TYR
|
| 146 |
+
P71 : GLU
|
| 147 |
+
P72 : THR
|
| 148 |
+
P73 : ALA
|
| 149 |
+
P74 : LYS
|
| 150 |
+
P75 : ARG
|
| 151 |
+
P76 : HIS
|
| 152 |
+
P77 : TYR
|
| 153 |
+
P78 : SER
|
| 154 |
+
P79 : HIS
|
| 155 |
+
P80 : VAL
|
| 156 |
+
P81 : ASP
|
| 157 |
+
P82 : CYS
|
| 158 |
+
P83 : PRO
|
| 159 |
+
P84 : GLY
|
| 160 |
+
P85 : HIS
|
| 161 |
+
P86 : ALA
|
| 162 |
+
P87 : ASP
|
| 163 |
+
P88 : TYR
|
| 164 |
+
P89 : ILE
|
| 165 |
+
P90 : LYS
|
| 166 |
+
P91 : ASN
|
| 167 |
+
P92 : MET
|
| 168 |
+
P93 : ILE
|
| 169 |
+
P94 : THR
|
| 170 |
+
P95 : GLY
|
| 171 |
+
P96 : ALA
|
| 172 |
+
P97 : ALA
|
| 173 |
+
P98 : GLN
|
| 174 |
+
P99 : MET
|
| 175 |
+
P100 : ASP
|
| 176 |
+
P101 : GLY
|
| 177 |
+
P102 : ALA
|
| 178 |
+
P103 : ILE
|
| 179 |
+
P104 : LEU
|
| 180 |
+
P105 : VAL
|
| 181 |
+
P106 : VAL
|
| 182 |
+
P107 : SER
|
| 183 |
+
P108 : ALA
|
| 184 |
+
P109 : ALA
|
| 185 |
+
P110 : ASP
|
| 186 |
+
P111 : GLY
|
| 187 |
+
P112 : PRO
|
| 188 |
+
P113 : MET
|
| 189 |
+
P114 : PRO
|
| 190 |
+
P115 : GLN
|
| 191 |
+
P116 : THR
|
| 192 |
+
P117 : ARG
|
| 193 |
+
P118 : GLU
|
| 194 |
+
P119 : HIS
|
| 195 |
+
P120 : ILE
|
| 196 |
+
P121 : LEU
|
| 197 |
+
P122 : LEU
|
| 198 |
+
P123 : ALA
|
| 199 |
+
P124 : ARG
|
| 200 |
+
P125 : GLN
|
| 201 |
+
P126 : VAL
|
| 202 |
+
P127 : GLY
|
| 203 |
+
P128 : VAL
|
| 204 |
+
P129 : PRO
|
| 205 |
+
P130 : TYR
|
| 206 |
+
P131 : ILE
|
| 207 |
+
P132 : VAL
|
| 208 |
+
P133 : VAL
|
| 209 |
+
P134 : PHE
|
| 210 |
+
P135 : MET
|
| 211 |
+
P136 : ASN
|
| 212 |
+
P137 : LYS
|
| 213 |
+
P138 : VAL
|
| 214 |
+
P139 : ASP
|
| 215 |
+
P140 : MET
|
| 216 |
+
P141 : VAL
|
| 217 |
+
P142 : ASP
|
| 218 |
+
P143 : ASP
|
| 219 |
+
P144 : PRO
|
| 220 |
+
P145 : GLU
|
| 221 |
+
P146 : LEU
|
| 222 |
+
P147 : LEU
|
| 223 |
+
P148 : ASP
|
| 224 |
+
P149 : LEU
|
| 225 |
+
P150 : VAL
|
| 226 |
+
P151 : GLU
|
| 227 |
+
P152 : MET
|
| 228 |
+
P153 : GLU
|
| 229 |
+
P154 : VAL
|
| 230 |
+
P155 : ARG
|
| 231 |
+
P156 : ASP
|
| 232 |
+
P157 : LEU
|
| 233 |
+
P158 : LEU
|
| 234 |
+
P159 : ASN
|
| 235 |
+
P160 : GLN
|
| 236 |
+
P161 : TYR
|
| 237 |
+
P162 : GLU
|
| 238 |
+
P163 : PHE
|
| 239 |
+
P164 : PRO
|
| 240 |
+
P165 : GLY
|
| 241 |
+
P166 : ASP
|
| 242 |
+
P167 : GLU
|
| 243 |
+
P168 : VAL
|
| 244 |
+
P169 : PRO
|
| 245 |
+
P170 : VAL
|
| 246 |
+
P171 : ILE
|
| 247 |
+
P172 : ARG
|
| 248 |
+
P173 : GLY
|
| 249 |
+
P174 : SER
|
| 250 |
+
P175 : ALA
|
| 251 |
+
P176 : LEU
|
| 252 |
+
P177 : LEU
|
| 253 |
+
P178 : ALA
|
| 254 |
+
P179 : LEU
|
| 255 |
+
P180 : GLU
|
| 256 |
+
P181 : GLU
|
| 257 |
+
P182 : MET
|
| 258 |
+
P183 : HIS
|
| 259 |
+
P184 : LYS
|
| 260 |
+
P185 : ASN
|
| 261 |
+
P186 : PRO
|
| 262 |
+
P187 : LYS
|
| 263 |
+
P188 : THR
|
| 264 |
+
P189 : LYS
|
| 265 |
+
P190 : ARG
|
| 266 |
+
P191 : GLY
|
| 267 |
+
P192 : GLU
|
| 268 |
+
P193 : ASN
|
| 269 |
+
P194 : GLU
|
| 270 |
+
P195 : TRP
|
| 271 |
+
P196 : VAL
|
| 272 |
+
P197 : ASP
|
| 273 |
+
P198 : LYS
|
| 274 |
+
P199 : ILE
|
| 275 |
+
P200 : TRP
|
| 276 |
+
P201 : GLU
|
| 277 |
+
P202 : LEU
|
| 278 |
+
P203 : LEU
|
| 279 |
+
P204 : ASP
|
| 280 |
+
P205 : ALA
|
| 281 |
+
P206 : ILE
|
| 282 |
+
P207 : ASP
|
| 283 |
+
P208 : GLU
|
| 284 |
+
P209 : TYR
|
| 285 |
+
P210 : ILE
|
| 286 |
+
P211 : PRO
|
| 287 |
+
P212 : THR
|
| 288 |
+
P213 : PRO
|
| 289 |
+
P214 : VAL
|
| 290 |
+
P215 : ARG
|
| 291 |
+
P216 : ASP
|
| 292 |
+
P217 : VAL
|
| 293 |
+
P218 : ASP
|
| 294 |
+
P219 : LYS
|
| 295 |
+
P220 : PRO
|
| 296 |
+
P221 : PHE
|
| 297 |
+
P222 : LEU
|
| 298 |
+
P223 : MET
|
| 299 |
+
P224 : PRO
|
| 300 |
+
P225 : VAL
|
| 301 |
+
P226 : GLU
|
| 302 |
+
P227 : ASP
|
| 303 |
+
P228 : VAL
|
| 304 |
+
P229 : PHE
|
| 305 |
+
P230 : THR
|
| 306 |
+
P231 : ILE
|
| 307 |
+
P232 : THR
|
| 308 |
+
P233 : GLY
|
| 309 |
+
P234 : ARG
|
| 310 |
+
P235 : GLY
|
| 311 |
+
P236 : THR
|
| 312 |
+
P237 : VAL
|
| 313 |
+
P238 : ALA
|
| 314 |
+
P239 : THR
|
| 315 |
+
P240 : GLY
|
| 316 |
+
P241 : ARG
|
| 317 |
+
P242 : ILE
|
| 318 |
+
P243 : GLU
|
| 319 |
+
P244 : ARG
|
| 320 |
+
P245 : GLY
|
| 321 |
+
P246 : LYS
|
| 322 |
+
P247 : VAL
|
| 323 |
+
P248 : LYS
|
| 324 |
+
P249 : VAL
|
| 325 |
+
P250 : GLY
|
| 326 |
+
P251 : ASP
|
| 327 |
+
P252 : GLU
|
| 328 |
+
P253 : VAL
|
| 329 |
+
P254 : GLU
|
| 330 |
+
P255 : ILE
|
| 331 |
+
P256 : VAL
|
| 332 |
+
P257 : GLY
|
| 333 |
+
P258 : LEU
|
| 334 |
+
P259 : ALA
|
| 335 |
+
P260 : PRO
|
| 336 |
+
P261 : GLU
|
| 337 |
+
P262 : THR
|
| 338 |
+
P263 : ARG
|
| 339 |
+
P264 : LYS
|
| 340 |
+
P265 : THR
|
| 341 |
+
P266 : VAL
|
| 342 |
+
P267 : VAL
|
| 343 |
+
P268 : THR
|
| 344 |
+
P269 : GLY
|
| 345 |
+
P270 : VAL
|
| 346 |
+
P271 : GLU
|
| 347 |
+
P272 : MET
|
| 348 |
+
P273 : HIS
|
| 349 |
+
P274 : ARG
|
| 350 |
+
P275 : LYS
|
| 351 |
+
P276 : THR
|
| 352 |
+
P277 : LEU
|
| 353 |
+
P278 : GLN
|
| 354 |
+
P279 : GLU
|
| 355 |
+
P280 : GLY
|
| 356 |
+
P281 : ILE
|
| 357 |
+
P282 : ALA
|
| 358 |
+
P283 : GLY
|
| 359 |
+
P284 : ASP
|
| 360 |
+
P285 : ASN
|
| 361 |
+
P286 : VAL
|
| 362 |
+
P287 : GLY
|
| 363 |
+
P288 : LEU
|
| 364 |
+
P289 : LEU
|
| 365 |
+
P290 : LEU
|
| 366 |
+
P291 : ARG
|
| 367 |
+
P292 : GLY
|
| 368 |
+
P293 : VAL
|
| 369 |
+
P294 : SER
|
| 370 |
+
P295 : ARG
|
| 371 |
+
P296 : GLU
|
| 372 |
+
P297 : GLU
|
| 373 |
+
P298 : VAL
|
| 374 |
+
P299 : GLU
|
| 375 |
+
P300 : ARG
|
| 376 |
+
P301 : GLY
|
| 377 |
+
P302 : GLN
|
| 378 |
+
P303 : VAL
|
| 379 |
+
P304 : LEU
|
| 380 |
+
P305 : ALA
|
| 381 |
+
P306 : LYS
|
| 382 |
+
P307 : PRO
|
| 383 |
+
P308 : GLY
|
| 384 |
+
P309 : SER
|
| 385 |
+
P310 : ILE
|
| 386 |
+
P311 : THR
|
| 387 |
+
P312 : PRO
|
| 388 |
+
P313 : HIS
|
| 389 |
+
P314 : THR
|
| 390 |
+
P315 : LYS
|
| 391 |
+
P316 : PHE
|
| 392 |
+
P317 : GLU
|
| 393 |
+
P318 : ALA
|
| 394 |
+
P319 : SER
|
| 395 |
+
P320 : VAL
|
| 396 |
+
P321 : TYR
|
| 397 |
+
P322 : ILE
|
| 398 |
+
P323 : LEU
|
| 399 |
+
P324 : LYS
|
| 400 |
+
P325 : LYS
|
| 401 |
+
P326 : GLU
|
| 402 |
+
P327 : GLU
|
| 403 |
+
P328 : GLY
|
| 404 |
+
P329 : GLY
|
| 405 |
+
P330 : ARG
|
| 406 |
+
P331 : HIS
|
| 407 |
+
P332 : THR
|
| 408 |
+
P333 : GLY
|
| 409 |
+
P334 : PHE
|
| 410 |
+
P335 : PHE
|
| 411 |
+
P336 : THR
|
| 412 |
+
P337 : GLY
|
| 413 |
+
P338 : TYR
|
| 414 |
+
P339 : ARG
|
| 415 |
+
P340 : PRO
|
| 416 |
+
P341 : GLN
|
| 417 |
+
P342 : PHE
|
| 418 |
+
P343 : TYR
|
| 419 |
+
P344 : PHE
|
| 420 |
+
P345 : ARG
|
| 421 |
+
P346 : THR
|
| 422 |
+
P347 : THR
|
| 423 |
+
P348 : ASP
|
| 424 |
+
P349 : VAL
|
| 425 |
+
P350 : THR
|
| 426 |
+
P351 : GLY
|
| 427 |
+
P352 : VAL
|
| 428 |
+
P353 : VAL
|
| 429 |
+
P354 : ARG
|
| 430 |
+
P355 : LEU
|
| 431 |
+
P356 : PRO
|
| 432 |
+
P357 : GLN
|
| 433 |
+
P358 : GLY
|
| 434 |
+
P359 : VAL
|
| 435 |
+
P360 : GLU
|
| 436 |
+
P361 : MET
|
| 437 |
+
P362 : VAL
|
| 438 |
+
P363 : MET
|
| 439 |
+
P364 : PRO
|
| 440 |
+
P365 : GLY
|
| 441 |
+
P366 : ASP
|
| 442 |
+
P367 : ASN
|
| 443 |
+
P368 : VAL
|
| 444 |
+
P369 : THR
|
| 445 |
+
P370 : PHE
|
| 446 |
+
P371 : THR
|
| 447 |
+
P372 : VAL
|
| 448 |
+
P373 : GLU
|
| 449 |
+
P374 : LEU
|
| 450 |
+
P375 : ILE
|
| 451 |
+
P376 : LYS
|
| 452 |
+
P377 : PRO
|
| 453 |
+
P378 : VAL
|
| 454 |
+
P379 : ALA
|
| 455 |
+
P380 : LEU
|
| 456 |
+
P381 : GLU
|
| 457 |
+
P382 : GLU
|
| 458 |
+
P383 : GLY
|
| 459 |
+
P384 : LEU
|
| 460 |
+
P385 : ARG
|
| 461 |
+
P386 : PHE
|
| 462 |
+
P387 : ALA
|
| 463 |
+
P388 : ILE
|
| 464 |
+
P389 : ARG
|
| 465 |
+
P390 : GLU
|
| 466 |
+
P391 : GLY
|
| 467 |
+
P392 : GLY
|
| 468 |
+
P393 : ARG
|
| 469 |
+
P394 : THR
|
| 470 |
+
P395 : VAL
|
| 471 |
+
P396 : GLY
|
| 472 |
+
P397 : ALA
|
| 473 |
+
P398 : GLY
|
| 474 |
+
P399 : VAL
|
| 475 |
+
P400 : VAL
|
| 476 |
+
P401 : THR
|
| 477 |
+
P402 : LYS
|
| 478 |
+
P403 : ILE
|
| 479 |
+
P404 : LEU
|
| 480 |
+
P405 : GLU
|
| 481 |
+
R77 : MG
|
| 482 |
+
R179 : MG
|
| 483 |
+
R976 : CYS
|
| 484 |
+
P407 : MG
|
| 485 |
+
P408 : SO4
|
| 486 |
+
P409 : SO4
|
| 487 |
+
P406 : GNP
|
| 488 |
+
R977 : HOH
|
| 489 |
+
R978 : HOH
|
| 490 |
+
R979 : HOH
|
| 491 |
+
R980 : HOH
|
| 492 |
+
R981 : HOH
|
| 493 |
+
R982 : HOH
|
| 494 |
+
R983 : HOH
|
| 495 |
+
R984 : HOH
|
| 496 |
+
R985 : HOH
|
| 497 |
+
R986 : HOH
|
| 498 |
+
R987 : HOH
|
| 499 |
+
R988 : HOH
|
| 500 |
+
R989 : HOH
|
| 501 |
+
R990 : HOH
|
| 502 |
+
R991 : HOH
|
| 503 |
+
R992 : HOH
|
| 504 |
+
R993 : HOH
|
| 505 |
+
R994 : HOH
|
| 506 |
+
R995 : HOH
|
| 507 |
+
R996 : HOH
|
| 508 |
+
R997 : HOH
|
| 509 |
+
R998 : HOH
|
| 510 |
+
R999 : HOH
|
| 511 |
+
R1000 : HOH
|
| 512 |
+
R1001 : HOH
|
| 513 |
+
R1002 : HOH
|
| 514 |
+
R1003 : HOH
|
| 515 |
+
R1004 : HOH
|
| 516 |
+
R1005 : HOH
|
| 517 |
+
R1006 : HOH
|
| 518 |
+
R1007 : HOH
|
| 519 |
+
R1008 : HOH
|
| 520 |
+
R1009 : HOH
|
| 521 |
+
R1010 : HOH
|
| 522 |
+
R1011 : HOH
|
| 523 |
+
R1012 : HOH
|
| 524 |
+
R1013 : HOH
|
| 525 |
+
R1014 : HOH
|
| 526 |
+
R1015 : HOH
|
| 527 |
+
R1016 : HOH
|
| 528 |
+
R1017 : HOH
|
| 529 |
+
R1018 : HOH
|
| 530 |
+
R1019 : HOH
|
| 531 |
+
R1020 : HOH
|
| 532 |
+
R1021 : HOH
|
| 533 |
+
R1022 : HOH
|
| 534 |
+
R1023 : HOH
|
| 535 |
+
R1024 : HOH
|
| 536 |
+
R1025 : HOH
|
| 537 |
+
R1026 : HOH
|
| 538 |
+
R1027 : HOH
|
| 539 |
+
R1028 : HOH
|
| 540 |
+
R1029 : HOH
|
| 541 |
+
R1030 : HOH
|
| 542 |
+
R1031 : HOH
|
| 543 |
+
R1032 : HOH
|
| 544 |
+
R1033 : HOH
|
| 545 |
+
R1034 : HOH
|
| 546 |
+
R1035 : HOH
|
| 547 |
+
R1036 : HOH
|
| 548 |
+
R1037 : HOH
|
| 549 |
+
R1038 : HOH
|
| 550 |
+
R1039 : HOH
|
| 551 |
+
R1040 : HOH
|
| 552 |
+
R1041 : HOH
|
| 553 |
+
R1042 : HOH
|
| 554 |
+
R1043 : HOH
|
| 555 |
+
R1044 : HOH
|
| 556 |
+
R1045 : HOH
|
| 557 |
+
R1046 : HOH
|
| 558 |
+
R1047 : HOH
|
| 559 |
+
R1048 : HOH
|
| 560 |
+
R1049 : HOH
|
| 561 |
+
R1050 : HOH
|
| 562 |
+
R1051 : HOH
|
| 563 |
+
R1052 : HOH
|
| 564 |
+
R1053 : HOH
|
| 565 |
+
R1054 : HOH
|
| 566 |
+
R1055 : HOH
|
| 567 |
+
R1056 : HOH
|
| 568 |
+
R1057 : HOH
|
| 569 |
+
R1058 : HOH
|
| 570 |
+
R1059 : HOH
|
| 571 |
+
R1060 : HOH
|
| 572 |
+
R1061 : HOH
|
| 573 |
+
R1062 : HOH
|
| 574 |
+
R1063 : HOH
|
| 575 |
+
P410 : HOH
|
| 576 |
+
P411 : HOH
|
| 577 |
+
P412 : HOH
|
| 578 |
+
P413 : HOH
|
| 579 |
+
P414 : HOH
|
| 580 |
+
P415 : HOH
|
| 581 |
+
P416 : HOH
|
| 582 |
+
P417 : HOH
|
| 583 |
+
P418 : HOH
|
| 584 |
+
P419 : HOH
|
| 585 |
+
P420 : HOH
|
| 586 |
+
P421 : HOH
|
| 587 |
+
P422 : HOH
|
| 588 |
+
P423 : HOH
|
| 589 |
+
P424 : HOH
|
| 590 |
+
P425 : HOH
|
| 591 |
+
P426 : HOH
|
| 592 |
+
P427 : HOH
|
| 593 |
+
P428 : HOH
|
| 594 |
+
P429 : HOH
|
| 595 |
+
P430 : HOH
|
| 596 |
+
P431 : HOH
|
| 597 |
+
P432 : HOH
|
| 598 |
+
P433 : HOH
|
| 599 |
+
P434 : HOH
|
| 600 |
+
P435 : HOH
|
| 601 |
+
P436 : HOH
|
| 602 |
+
P437 : HOH
|
| 603 |
+
P438 : HOH
|
| 604 |
+
P439 : HOH
|
| 605 |
+
P440 : HOH
|
| 606 |
+
P441 : HOH
|
| 607 |
+
P442 : HOH
|
| 608 |
+
P443 : HOH
|
| 609 |
+
P444 : HOH
|
| 610 |
+
P445 : HOH
|
| 611 |
+
P446 : HOH
|
| 612 |
+
P447 : HOH
|
| 613 |
+
P448 : HOH
|
| 614 |
+
P449 : HOH
|
| 615 |
+
P450 : HOH
|
| 616 |
+
P451 : HOH
|
| 617 |
+
P452 : HOH
|
| 618 |
+
P453 : HOH
|
| 619 |
+
P454 : HOH
|
| 620 |
+
P455 : HOH
|
| 621 |
+
P456 : HOH
|
| 622 |
+
P457 : HOH
|
| 623 |
+
P458 : HOH
|
| 624 |
+
P459 : HOH
|
| 625 |
+
P460 : HOH
|
| 626 |
+
P461 : HOH
|
| 627 |
+
P462 : HOH
|
| 628 |
+
P463 : HOH
|
| 629 |
+
P464 : HOH
|
| 630 |
+
P465 : HOH
|
| 631 |
+
P466 : HOH
|
| 632 |
+
P467 : HOH
|
| 633 |
+
P468 : HOH
|
| 634 |
+
P469 : HOH
|
| 635 |
+
P470 : HOH
|
| 636 |
+
P471 : HOH
|
| 637 |
+
P472 : HOH
|
| 638 |
+
P473 : HOH
|
| 639 |
+
P474 : HOH
|
| 640 |
+
P475 : HOH
|
| 641 |
+
P476 : HOH
|
| 642 |
+
P477 : HOH
|
| 643 |
+
P478 : HOH
|
| 644 |
+
P479 : HOH
|
| 645 |
+
P480 : HOH
|
| 646 |
+
P481 : HOH
|
| 647 |
+
P482 : HOH
|
| 648 |
+
P483 : HOH
|
| 649 |
+
P484 : HOH
|
| 650 |
+
P485 : HOH
|
| 651 |
+
P486 : HOH
|
| 652 |
+
P487 : HOH
|
| 653 |
+
P488 : HOH
|
| 654 |
+
P489 : HOH
|
| 655 |
+
P490 : HOH
|
| 656 |
+
P491 : HOH
|
| 657 |
+
P492 : HOH
|
| 658 |
+
P493 : HOH
|
| 659 |
+
P494 : HOH
|
| 660 |
+
P495 : HOH
|
| 661 |
+
P496 : HOH
|
| 662 |
+
P497 : HOH
|
| 663 |
+
P498 : HOH
|
| 664 |
+
P499 : HOH
|
| 665 |
+
P500 : HOH
|
| 666 |
+
P501 : HOH
|
| 667 |
+
P502 : HOH
|
| 668 |
+
P503 : HOH
|
| 669 |
+
P504 : HOH
|
| 670 |
+
P505 : HOH
|
| 671 |
+
P506 : HOH
|
| 672 |
+
P507 : HOH
|
| 673 |
+
P508 : HOH
|
| 674 |
+
P509 : HOH
|
| 675 |
+
P510 : HOH
|
| 676 |
+
P511 : HOH
|
| 677 |
+
P512 : HOH
|
| 678 |
+
P513 : HOH
|
| 679 |
+
P514 : HOH
|
| 680 |
+
P515 : HOH
|
| 681 |
+
P516 : HOH
|
| 682 |
+
P517 : HOH
|
| 683 |
+
P518 : HOH
|
| 684 |
+
P519 : HOH
|
| 685 |
+
P520 : HOH
|
| 686 |
+
P521 : HOH
|
| 687 |
+
P522 : HOH
|
| 688 |
+
P523 : HOH
|
| 689 |
+
P524 : HOH
|
| 690 |
+
P525 : HOH
|
| 691 |
+
P526 : HOH
|
| 692 |
+
P527 : HOH
|
| 693 |
+
P528 : HOH
|
| 694 |
+
P529 : HOH
|
| 695 |
+
P530 : HOH
|
| 696 |
+
P531 : HOH
|
| 697 |
+
P532 : HOH
|
| 698 |
+
P533 : HOH
|
| 699 |
+
P534 : HOH
|
| 700 |
+
P535 : HOH
|
| 701 |
+
P536 : HOH
|
| 702 |
+
P537 : HOH
|
| 703 |
+
P538 : HOH
|
| 704 |
+
P539 : HOH
|
| 705 |
+
P540 : HOH
|
| 706 |
+
P541 : HOH
|
| 707 |
+
P542 : HOH
|
| 708 |
+
P543 : HOH
|
| 709 |
+
P544 : HOH
|
| 710 |
+
P545 : HOH
|
| 711 |
+
P546 : HOH
|
| 712 |
+
P547 : HOH
|
| 713 |
+
P548 : HOH
|
| 714 |
+
P549 : HOH
|
| 715 |
+
P550 : HOH
|
| 716 |
+
P551 : HOH
|
| 717 |
+
P552 : HOH
|
| 718 |
+
P553 : HOH
|
| 719 |
+
P554 : HOH
|
| 720 |
+
P555 : HOH
|
| 721 |
+
P556 : HOH
|
| 722 |
+
P557 : HOH
|
| 723 |
+
P558 : HOH
|
| 724 |
+
P559 : HOH
|
| 725 |
+
P560 : HOH
|
| 726 |
+
P561 : HOH
|
| 727 |
+
P562 : HOH
|
| 728 |
+
P563 : HOH
|
| 729 |
+
P564 : HOH
|
| 730 |
+
P565 : HOH
|
| 731 |
+
P566 : HOH
|
| 732 |
+
P567 : HOH
|
| 733 |
+
P568 : HOH
|
| 734 |
+
P569 : HOH
|
| 735 |
+
P570 : HOH
|
| 736 |
+
P571 : HOH
|
| 737 |
+
P572 : HOH
|
| 738 |
+
P573 : HOH
|
| 739 |
+
P574 : HOH
|
| 740 |
+
P575 : HOH
|
| 741 |
+
P576 : HOH
|
| 742 |
+
P577 : HOH
|
| 743 |
+
P578 : HOH
|
| 744 |
+
P579 : HOH
|
| 745 |
+
P580 : HOH
|
| 746 |
+
P581 : HOH
|
| 747 |
+
P582 : HOH
|
| 748 |
+
P583 : HOH
|
| 749 |
+
Adjacent stackings ----------------------------------------------
|
| 750 |
+
R1-R2 : adjacent_5p upward
|
| 751 |
+
R2-R3 : adjacent_5p upward
|
| 752 |
+
R4-R5 : adjacent_5p upward
|
| 753 |
+
R10-R11 : adjacent_5p upward
|
| 754 |
+
R12-R13 : adjacent_5p upward
|
| 755 |
+
R14-R15 : adjacent_5p upward
|
| 756 |
+
R15-R16 : adjacent_5p upward
|
| 757 |
+
R22-R23 : adjacent_5p upward
|
| 758 |
+
R24-R25 : adjacent_5p upward
|
| 759 |
+
R25-R26 : adjacent_5p upward
|
| 760 |
+
R26-R27 : adjacent_5p upward
|
| 761 |
+
R27-R28 : adjacent_5p upward
|
| 762 |
+
R28-R29 : adjacent_5p upward
|
| 763 |
+
R29-R30 : adjacent_5p upward
|
| 764 |
+
R30-R31 : adjacent_5p upward
|
| 765 |
+
R34-R35 : adjacent_5p upward
|
| 766 |
+
R41-R42 : adjacent_5p upward
|
| 767 |
+
R42-R43 : adjacent_5p upward
|
| 768 |
+
R43-R44 : adjacent_5p upward
|
| 769 |
+
R46-R48 : adjacent_5p upward
|
| 770 |
+
R49-R50 : adjacent_5p upward
|
| 771 |
+
R50-R51 : adjacent_5p upward
|
| 772 |
+
R52-R53 : adjacent_5p upward
|
| 773 |
+
R56-R57 : adjacent_5p upward
|
| 774 |
+
R59-R60 : adjacent_5p upward
|
| 775 |
+
R63-R64 : adjacent_5p upward
|
| 776 |
+
R64-R65 : adjacent_5p upward
|
| 777 |
+
R65-R66 : adjacent_5p upward
|
| 778 |
+
R66-R67 : adjacent_5p upward
|
| 779 |
+
R67-R68 : adjacent_5p upward
|
| 780 |
+
R68-R69 : adjacent_5p upward
|
| 781 |
+
R69-R70 : adjacent_5p upward
|
| 782 |
+
R70-R71 : adjacent_5p upward
|
| 783 |
+
R73-R74 : adjacent_5p upward
|
| 784 |
+
Non-Adjacent stackings ------------------------------------------
|
| 785 |
+
R4-R70 : outward
|
| 786 |
+
R6-R68 : outward
|
| 787 |
+
R7-R49 : upward
|
| 788 |
+
R9-R46 : outward
|
| 789 |
+
R10-R26 : outward
|
| 790 |
+
R12-R24 : outward
|
| 791 |
+
R14-R22 : outward
|
| 792 |
+
R18-R57 : inward pairing
|
| 793 |
+
R18-R58 : outward
|
| 794 |
+
R19-R57 : outward
|
| 795 |
+
R29-R42 : outward
|
| 796 |
+
R48-R59 : upward
|
| 797 |
+
R51-R64 : outward
|
| 798 |
+
R52-R63 : outward
|
| 799 |
+
R53-R62 : outward
|
| 800 |
+
R58-R61 : upward pairing
|
| 801 |
+
Number of stackings = 50
|
| 802 |
+
Number of adjacent stackings = 34
|
| 803 |
+
Number of non adjacent stackings = 16
|
| 804 |
+
Base-pairs ------------------------------------------------------
|
| 805 |
+
R1-R72 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 806 |
+
R2-R71 : G-C Ww/Ww pairing antiparallel cis one_hbond
|
| 807 |
+
R3-R70 : C-G Ww/Ww pairing antiparallel cis XIX
|
| 808 |
+
R4-R69 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 809 |
+
R5-R68 : C-G Ww/Ww pairing antiparallel cis XIX
|
| 810 |
+
R6-R67 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 811 |
+
R7-R66 : U-A Ww/Ww pairing antiparallel cis XX
|
| 812 |
+
R9-R11 : A-C O2'/Bh pairing
|
| 813 |
+
R9-R13 : A-A Hh/Ww pairing antiparallel trans V
|
| 814 |
+
R11-R24 : C-G Ww/Ww pairing antiparallel cis XIX
|
| 815 |
+
R12-R23 : A-U Ww/Ws pairing antiparallel cis XX
|
| 816 |
+
R13-R22 : A-A Ss/Hw pairing antiparallel trans one_hbond 41
|
| 817 |
+
R14-R46 : A-A Wh/Ww pairing parallel cis one_hbond
|
| 818 |
+
R15-R48 : G-G Bh/Ww pairing parallel trans 113
|
| 819 |
+
R16-R59 : C-C Ww/Ww pairing parallel trans XV
|
| 820 |
+
R18-R57 : G-G O2'/Ww O2'/Bs inward pairing
|
| 821 |
+
R19-R56 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 822 |
+
R22-R46 : A-A O2P/Bh pairing
|
| 823 |
+
R27-R43 : G-U Ww/Ws pairing antiparallel cis XXVIII
|
| 824 |
+
R28-R42 : C-G Ww/Ww pairing antiparallel cis XIX
|
| 825 |
+
R29-R41 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 826 |
+
R30-R40 : G-C Ws/Ww pairing antiparallel cis one_hbond
|
| 827 |
+
R33-R35 : U-C O2'/Bh pairing
|
| 828 |
+
R33-R36 : U-A Ws/C8 Ww/O2P pairing antiparallel trans one_hbond
|
| 829 |
+
R49-R65 : U-A Ww/Ww pairing antiparallel cis XX
|
| 830 |
+
R50-R64 : C-G Ww/Ww pairing antiparallel cis XIX
|
| 831 |
+
R51-R63 : C-G Ww/Ww pairing antiparallel cis XIX
|
| 832 |
+
R52-R62 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 833 |
+
R53-R61 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 834 |
+
R58-R61 : A-C O2'/Bh upward pairing
|
| 835 |
+
R60-R61 : U-C O2P/Bh O2P/Bh adjacent_5p pairing
|
| 836 |
+
R72-R73 : C-U Hw/Hw adjacent_5p pairing parallel cis one_hbond 101
|