Deformation of coordinate space #443
Description
Hi, comunity of RFdiffusion.
I am trying to design some binders.
While i was looking at the trajectories of my designs, i noticed something weird.
In the Xt-1 trajectories, the coordinates of some residues of my target chain, are distorted.
It's even weirder that this only happens for the 49 steps of the Xt-1 trajs. For the designs, pX0 trajectories, and the last step of Xt-1, this doesn't happens.
Does anyone know why this happens?
Thank you.
ATOM 274 N MET B 92 8.599 -23.920 -18.215 1.00 1.00
ATOM 275 CA MET B 92 8.383 -23.015 -17.050 1.00 1.00
ATOM 276 C MET B 92 7.193 -23.485 -16.221 1.00 1.00
ATOM 277 O MET B 92 6.197 -23.962 -16.766 1.00 1.00
ATOM 278 CB MET B 92 8.156 -21.572 -17.514 1.00 1.00
ATOM 279 CG MET B 92 -132.571-300.762-140.696 1.00 1.00
ATOM 280 SD MET B 92 -132.571-300.762-140.696 1.00 1.00
ATOM 281 CE MET B 92 -132.571-300.762-140.696 1.00 1.00
ATOM 282 N ALA B 93 7.304 -23.352 -14.901 1.00 1.00
ATOM 283 CA ALA B 93 6.193 -23.697 -14.025 1.00 1.00
ATOM 284 C ALA B 93 4.989 -22.820 -14.342 1.00 1.00
ATOM 285 O ALA B 93 5.111 -21.603 -14.509 1.00 1.00
ATOM 286 CB ALA B 93 6.599 -23.533 -12.561 1.00 1.00
ATOM 287 N GLN B 94 3.818 -23.447 -14.418 1.00 1.00
ATOM 288 CA GLN B 94 2.599 -22.801 -14.883 1.00 1.00
ATOM 289 C GLN B 94 1.531 -22.851 -13.799 1.00 1.00
ATOM 290 O GLN B 94 1.305 -23.898 -13.184 1.00 1.00
ATOM 291 CB GLN B 94 2.100 -23.476 -16.166 1.00 1.00
ATOM 292 CG GLN B 94 -132.571-300.762-140.696 1.00 1.00
ATOM 293 CD GLN B 94 -132.571-300.762-140.696 1.00 1.00
ATOM 294 OE1 GLN B 94 -132.571-300.762-140.696 1.00 1.00
ATOM 295 NE2 GLN B 94 -132.571-300.762-140.696 1.00 1.00
ATOM 296 N LEU B 95 0.877 -21.712 -13.574 1.00 1.00
ATOM 297 CA LEU B 95 -0.127 -21.560 -12.531 1.00 1.00
ATOM 298 C LEU B 95 -1.465 -21.155 -13.135 1.00 1.00
ATOM 299 O LEU B 95 -1.528 -20.273 -13.997 1.00 1.00
ATOM 300 CB LEU B 95 0.304 -20.505 -11.507 1.00 1.00
ATOM 301 CG LEU B 95 -132.571-300.762-140.696 1.00 1.00
ATOM 302 CD1 LEU B 95 -132.571-300.762-140.696 1.00 1.00
ATOM 303 CD2 LEU B 95 -132.571-300.762-140.696 1.00 1.00
ATOM 304 N GLN B 96 -2.535 -21.794 -12.667 1.00 1.00
ATOM 305 CA GLN B 96 -3.887 -21.411 -13.056 1.00 1.00
ATOM 306 C GLN B 96 -4.358 -20.279 -12.151 1.00 1.00
ATOM 307 O GLN B 96 -4.368 -20.424 -10.924 1.00 1.00
ATOM 308 CB GLN B 96 -4.830 -22.608 -12.963 1.00 1.00
ATOM 309 CG GLN B 96 -132.571-300.762-140.696 1.00 1.00
ATOM 310 CD GLN B 96 -132.571-300.762-140.696 1.00 1.00
ATOM 311 OE1 GLN B 96 -132.571-300.762-140.696 1.00 1.00
ATOM 312 NE2 GLN B 96 -132.571-300.762-140.696 1.00 1.00
ATOM 313 N THR B 97 -4.748 -19.156 -12.754 1.00 1.00
ATOM 314 CA THR B 97 -5.097 -17.950 -12.016 1.00 1.00
ATOM 315 C THR B 97 -6.456 -17.432 -12.464 1.00 1.00
ATOM 316 O THR B 97 -6.782 -17.461 -13.654 1.00 1.00
ATOM 317 CB THR B 97 -4.040 -16.854 -12.212 1.00 1.00
ATOM 318 OG1 THR B 97 -132.571-300.762-140.696 1.00 1.00
ATOM 319 CG2 THR B 97 -132.571-300.762-140.696 1.00 1.00
ATOM 320 N ARG B 98 -7.239 -16.955 -11.499 1.00 1.00
ATOM 321 CA ARG B 98 -8.534 -16.336 -11.747 1.00 1.00
ATOM 322 C ARG B 98 -8.468 -14.877 -11.316 1.00 1.00
ATOM 323 O ARG B 98 -7.997 -14.573 -10.215 1.00 1.00
ATOM 324 CB ARG B 98 -9.646 -17.069 -10.989 1.00 1.00
ATOM 325 CG ARG B 98 -132.571-300.762-140.696 1.00 1.00
ATOM 326 CD ARG B 98 -132.571-300.762-140.696 1.00 1.00
ATOM 327 NE ARG B 98 -132.571-300.762-140.696 1.00 1.00
ATOM 328 CZ ARG B 98 -132.571-300.762-140.696 1.00 1.00
ATOM 329 NH1 ARG B 98 -132.571-300.762-140.696 1.00 1.00
ATOM 330 NH2 ARG B 98 -132.571-300.762-140.696 1.00 1.00
ATOM 331 N PHE B 99 -8.940 -13.983 -12.180 1.00 1.00
ATOM 332 CA PHE B 99 -8.923 -12.550 -11.918 1.00 1.00
ATOM 333 C PHE B 99 -10.329 -12.065 -11.591 1.00 1.00
ATOM 334 O PHE B 99 -11.299 -12.474 -12.236 1.00 1.00
ATOM 335 CB PHE B 99 -8.379 -11.778 -13.119 1.00 1.00
ATOM 336 CG PHE B 99 -132.571-300.762-140.696 1.00 1.00
ATOM 337 CD1 PHE B 99 -132.571-300.762-140.696 1.00 1.00
ATOM 338 CD2 PHE B 99 -132.571-300.762-140.696 1.00 1.00
ATOM 339 CE1 PHE B 99 -132.571-300.762-140.696 1.00 1.00
ATOM 340 CE2 PHE B 99 -132.571-300.762-140.696 1.00 1.00
ATOM 341 CZ PHE B 99 -132.571-300.762-140.696 1.00 1.00
ATOM 342 N TYR B 100 -10.431 -11.195 -10.588 1.00 1.00
ATOM 343 CA TYR B 100 -11.689 -10.553 -10.239 1.00 1.00
ATOM 344 C TYR B 100 -11.395 -9.156 -9.714 1.00 1.00
ATOM 345 O TYR B 100 -10.300 -8.883 -9.217 1.00 1.00
ATOM 346 CB TYR B 100 -12.469 -11.363 -9.193 1.00 1.00
ATOM 347 CG TYR B 100 -132.571-300.762-140.696 1.00 1.00
ATOM 348 CD1 TYR B 100 -132.571-300.762-140.696 1.00 1.00
ATOM 349 CD2 TYR B 100 -132.571-300.762-140.696 1.00 1.00
ATOM 350 CE1 TYR B 100 -132.571-300.762-140.696 1.00 1.00
ATOM 351 CE2 TYR B 100 -132.571-300.762-140.696 1.00 1.00
ATOM 352 CZ TYR B 100 -132.571-300.762-140.696 1.00 1.00
ATOM 353 OH TYR B 100 -132.571-300.762-140.696 1.00 1.00
ATOM 354 N THR B 101 -12.382 -8.271 -9.832 1.00 1.00
ATOM 355 CA THR B 101 -12.240 -6.905 -9.353 1.00 1.00
ATOM 356 C THR B 101 -13.610 -6.352 -8.996 1.00 1.00
ATOM 357 O THR B 101 -14.607 -6.677 -9.646 1.00 1.00
ATOM 358 CB THR B 101 -11.570 -6.002 -10.397 1.00 1.00
ATOM 359 OG1 THR B 101 -132.571-300.762-140.696 1.00 1.00
ATOM 360 CG2 THR B 101 -132.571-300.762-140.696 1.00 1.00
ATOM 361 N ASP B 102 -13.648 -5.515 -7.960 1.00 1.00
ATOM 362 CA ASP B 102 -14.877 -4.829 -7.591 1.00 1.00
ATOM 363 C ASP B 102 -15.204 -3.676 -8.530 1.00 1.00
ATOM 364 O ASP B 102 -16.354 -3.224 -8.557 1.00 1.00
ATOM 365 CB ASP B 102 -14.775 -4.309 -6.155 1.00 1.00
ATOM 366 CG ASP B 102 -132.571-300.762-140.696 1.00 1.00
ATOM 367 OD1 ASP B 102 -132.571-300.762-140.696 1.00 1.00
ATOM 368 OD2 ASP B 102 -132.571-300.762-140.696 1.00 1.00
ATOM 369 N ASN B 103 -14.228 -3.193 -9.296 1.00 1.00
ATOM 370 CA ASN B 103 -14.444 -2.099 -10.240 1.00 1.00
ATOM 371 C ASN B 103 -15.026 -2.679 -11.522 1.00 1.00
ATOM 372 O ASN B 103 -14.318 -3.302 -12.316 1.00 1.00
ATOM 373 CB ASN B 103 -13.140 -1.358 -10.509 1.00 1.00
ATOM 374 CG ASN B 103 -132.571-300.762-140.696 1.00 1.00
ATOM 375 OD1 ASN B 103 -132.571-300.762-140.696 1.00 1.00
ATOM 376 ND2 ASN B 103 -132.571-300.762-140.696 1.00 1.00
ATOM 377 N LYS B 104 -16.328 -2.470 -11.729 1.00 1.00
ATOM 378 CA LYS B 104 -16.989 -3.000 -12.915 1.00 1.00
ATOM 379 C LYS B 104 -16.444 -2.390 -14.200 1.00 1.00
ATOM 380 O LYS B 104 -16.612 -2.981 -15.273 1.00 1.00
ATOM 381 CB LYS B 104 -18.496 -2.759 -12.820 1.00 1.00
ATOM 382 CG LYS B 104 -132.571-300.762-140.696 1.00 1.00
ATOM 383 CD LYS B 104 -132.571-300.762-140.696 1.00 1.00
ATOM 384 CE LYS B 104 -132.571-300.762-140.696 1.00 1.00
ATOM 385 NZ LYS B 104 -132.571-300.762-140.696 1.00 1.00
ATOM 386 N LYS B 105 -15.799 -1.224 -14.118 1.00 1.00
ATOM 387 CA LYS B 105 -15.248 -0.595 -15.313 1.00 1.00
ATOM 388 C LYS B 105 -14.190 -1.470 -15.973 1.00 1.00
ATOM 389 O LYS B 105 -14.028 -1.428 -17.198 1.00 1.00
ATOM 390 CB LYS B 105 -14.661 0.772 -14.955 1.00 1.00
ATOM 391 CG LYS B 105 -132.571-300.762-140.696 1.00 1.00
ATOM 392 CD LYS B 105 -132.571-300.762-140.696 1.00 1.00
ATOM 393 CE LYS B 105 -132.571-300.762-140.696 1.00 1.00
ATOM 394 NZ LYS B 105 -132.571-300.762-140.696 1.00 1.00
ATOM 395 N TYR B 106 -13.465 -2.266 -15.185 1.00 1.00
ATOM 396 CA TYR B 106 -12.393 -3.121 -15.682 1.00 1.00
ATOM 397 C TYR B 106 -12.697 -4.600 -15.461 1.00 1.00
ATOM 398 O TYR B 106 -11.783 -5.404 -15.263 1.00 1.00
ATOM 399 CB TYR B 106 -11.069 -2.750 -15.017 1.00 1.00
ATOM 400 CG TYR B 106 -132.571-300.762-140.696 1.00 1.00
ATOM 401 CD1 TYR B 106 -132.571-300.762-140.696 1.00 1.00
ATOM 402 CD2 TYR B 106 -132.571-300.762-140.696 1.00 1.00
ATOM 403 CE1 TYR B 106 -132.571-300.762-140.696 1.00 1.00
ATOM 404 CE2 TYR B 106 -132.571-300.762-140.696 1.00 1.00
ATOM 405 CZ TYR B 106 -132.571-300.762-140.696 1.00 1.00
ATOM 406 OH TYR B 106 -132.571-300.762-140.696 1.00 1.00
ATOM 407 N ALA B 107 -13.973 -4.974 -15.494 1.00 1.00
ATOM 408 CA ALA B 107 -14.363 -6.354 -15.234 1.00 1.00
ATOM 409 C ALA B 107 -13.915 -7.254 -16.380 1.00 1.00
ATOM 410 O ALA B 107 -14.170 -6.955 -17.551 1.00 1.00
ATOM 411 CB ALA B 107 -15.874 -6.446 -15.040 1.00 1.00
ATOM 412 N VAL B 108 -13.245 -8.352 -16.038 1.00 1.00
ATOM 413 CA VAL B 108 -12.820 -9.352 -17.004 1.00 1.00
ATOM 414 C VAL B 108 -13.633 -10.618 -16.763 1.00 1.00
ATOM 415 O VAL B 108 -14.117 -10.879 -15.658 1.00 1.00
ATOM 416 CB VAL B 108 -11.298 -9.626 -16.904 1.00 1.00
ATOM 417 CG1 VAL B 108 -132.571-300.762-140.696 1.00 1.00
ATOM 418 CG2 VAL B 108 -132.571-300.762-140.696 1.00 1.00
ATOM 419 N ASP B 109 -13.795 -11.416 -17.817 1.00 1.00
ATOM 420 CA ASP B 109 -14.568 -12.647 -17.715 1.00 1.00
ATOM 421 C ASP B 109 -13.976 -13.566 -16.654 1.00 1.00
ATOM 422 O ASP B 109 -12.755 -13.707 -16.540 1.00 1.00
ATOM 423 CB ASP B 109 -14.607 -13.365 -19.064 1.00 1.00
ATOM 424 CG ASP B 109 -132.571-300.762-140.696 1.00 1.00
ATOM 425 OD1 ASP B 109 -132.571-300.762-140.696 1.00 1.00
ATOM 426 OD2 ASP B 109 -132.571-300.762-140.696 1.00 1.00